USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 547 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 LYS NZ :NH3+ -153:sc= 1.3 (180deg=-0.0088) USER MOD Set 1.2: A 68 HIS : no HD1:sc= 0.929 K(o=2.2,f=-9!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -166:sc= 2.39 (180deg=1.96) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0.073) USER MOD Single : A 11 LYS NZ :NH3+ -138:sc= 1.09 (180deg=-0.382) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -71:sc= 0.15 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -170:sc= 0.533 USER MOD Single : A 25 ASN : amide:sc= 0.884 K(o=0.88,f=-0.37) USER MOD Single : A 27 LYS NZ :NH3+ 171:sc= 1.69 (180deg=1.61) USER MOD Single : A 29 LYS NZ :NH3+ 165:sc= 2.01 (180deg=1.69) USER MOD Single : A 31 GLN : amide:sc= -0.761 X(o=-0.76,f=-0.94) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 41 GLN : amide:sc= 1.04 K(o=1,f=-1.9) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc=-0.00577 X(o=-0.0058,f=0) USER MOD Single : A 55 THR OG1 : rot -77:sc= 1.17 USER MOD Single : A 57 SER OG : rot 67:sc= 0.033 USER MOD Single : A 59 TYR OH : rot 130:sc= 0.507 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) 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 109:sc= 1.2 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.759 51.817 19.774 1.00 0.00 N ATOM 2 CA MET A 1 33.043 51.909 21.215 1.00 0.00 C ATOM 3 C MET A 1 34.468 52.410 21.460 1.00 0.00 C ATOM 4 O MET A 1 35.365 52.121 20.670 1.00 0.00 O ATOM 5 CB MET A 1 32.850 50.579 21.939 1.00 0.00 C ATOM 6 CG MET A 1 31.406 50.087 21.958 1.00 0.00 C ATOM 7 SD MET A 1 30.233 51.227 22.730 1.00 0.00 S ATOM 8 CE MET A 1 28.703 50.287 22.502 1.00 0.00 C ATOM 0 H1 MET A 1 31.735 51.708 19.628 1.00 0.00 H new ATOM 0 H2 MET A 1 33.086 52.683 19.300 1.00 0.00 H new ATOM 0 H3 MET A 1 33.255 50.995 19.374 1.00 0.00 H new ATOM 0 HA MET A 1 32.324 52.621 21.620 1.00 0.00 H new ATOM 0 HB2 MET A 1 33.474 49.823 21.462 1.00 0.00 H new ATOM 0 HB3 MET A 1 33.202 50.681 22.966 1.00 0.00 H new ATOM 0 HG2 MET A 1 31.087 49.897 20.933 1.00 0.00 H new ATOM 0 HG3 MET A 1 31.367 49.134 22.486 1.00 0.00 H new ATOM 0 HE1 MET A 1 27.867 50.845 22.923 1.00 0.00 H new ATOM 0 HE2 MET A 1 28.531 50.124 21.438 1.00 0.00 H new ATOM 0 HE3 MET A 1 28.788 49.325 23.008 1.00 0.00 H new ATOM 20 N GLN A 2 34.703 53.099 22.572 1.00 0.00 N ATOM 21 CA GLN A 2 36.009 53.551 23.007 1.00 0.00 C ATOM 22 C GLN A 2 36.685 52.542 23.937 1.00 0.00 C ATOM 23 O GLN A 2 36.052 52.028 24.857 1.00 0.00 O ATOM 24 CB GLN A 2 35.877 54.924 23.658 1.00 0.00 C ATOM 25 CG GLN A 2 37.207 55.514 24.120 1.00 0.00 C ATOM 26 CD GLN A 2 37.179 57.042 24.203 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.246 57.650 25.268 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.116 57.721 23.061 1.00 0.00 N ATOM 0 H GLN A 2 33.957 53.365 23.215 1.00 0.00 H new ATOM 0 HA GLN A 2 36.657 53.636 22.135 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.412 55.609 22.949 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.207 54.848 24.514 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.460 55.106 25.098 1.00 0.00 H new ATOM 0 HG3 GLN A 2 37.995 55.206 23.432 1.00 0.00 H new ATOM 0 HE21 GLN A 2 37.060 57.222 22.173 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.124 58.741 23.073 1.00 0.00 H new ATOM 37 N ILE A 3 37.984 52.322 23.755 1.00 0.00 N ATOM 38 CA ILE A 3 38.850 51.660 24.709 1.00 0.00 C ATOM 39 C ILE A 3 40.163 52.431 24.861 1.00 0.00 C ATOM 40 O ILE A 3 40.445 53.344 24.086 1.00 0.00 O ATOM 41 CB ILE A 3 39.101 50.198 24.351 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.827 50.034 23.019 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.815 49.378 24.409 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.419 48.647 22.791 1.00 0.00 C ATOM 0 H ILE A 3 38.473 52.612 22.908 1.00 0.00 H new ATOM 0 HA ILE A 3 38.336 51.657 25.670 1.00 0.00 H new ATOM 0 HB ILE A 3 39.774 49.801 25.111 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.131 50.256 22.210 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.628 50.771 22.962 1.00 0.00 H new ATOM 0 HG21 ILE A 3 38.032 48.342 24.148 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.402 49.420 25.417 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.091 49.786 23.703 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.916 48.618 21.821 1.00 0.00 H new ATOM 0 HD12 ILE A 3 41.142 48.426 23.576 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.622 47.903 22.812 1.00 0.00 H new ATOM 56 N PHE A 4 40.997 52.036 25.818 1.00 0.00 N ATOM 57 CA PHE A 4 42.320 52.584 26.039 1.00 0.00 C ATOM 58 C PHE A 4 43.376 51.478 26.060 1.00 0.00 C ATOM 59 O PHE A 4 43.073 50.341 26.418 1.00 0.00 O ATOM 60 CB PHE A 4 42.333 53.368 27.349 1.00 0.00 C ATOM 61 CG PHE A 4 41.294 54.461 27.432 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.552 55.719 26.875 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.071 54.218 28.068 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.592 56.734 26.963 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.109 55.233 28.149 1.00 0.00 C ATOM 66 CZ PHE A 4 39.367 56.492 27.595 1.00 0.00 C ATOM 0 H PHE A 4 40.756 51.299 26.481 1.00 0.00 H new ATOM 0 HA PHE A 4 42.565 53.256 25.217 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.179 52.674 28.175 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.320 53.811 27.484 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.492 55.907 26.377 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.869 53.247 28.496 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.797 57.707 26.542 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.166 55.044 28.640 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.624 57.273 27.655 1.00 0.00 H new ATOM 76 N VAL A 5 44.619 51.804 25.717 1.00 0.00 N ATOM 77 CA VAL A 5 45.742 50.890 25.779 1.00 0.00 C ATOM 78 C VAL A 5 46.929 51.559 26.475 1.00 0.00 C ATOM 79 O VAL A 5 47.367 52.625 26.049 1.00 0.00 O ATOM 80 CB VAL A 5 46.157 50.358 24.409 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.160 49.217 24.551 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.980 49.858 23.579 1.00 0.00 C ATOM 0 H VAL A 5 44.873 52.733 25.381 1.00 0.00 H new ATOM 0 HA VAL A 5 45.415 50.028 26.360 1.00 0.00 H new ATOM 0 HB VAL A 5 46.607 51.205 23.890 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.441 48.854 23.562 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.048 49.576 25.072 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.709 48.405 25.121 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.342 49.493 22.618 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.479 49.048 24.109 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.277 50.675 23.416 1.00 0.00 H new ATOM 92 N LYS A 6 47.451 50.932 27.524 1.00 0.00 N ATOM 93 CA LYS A 6 48.616 51.353 28.276 1.00 0.00 C ATOM 94 C LYS A 6 49.873 50.716 27.683 1.00 0.00 C ATOM 95 O LYS A 6 49.968 49.492 27.620 1.00 0.00 O ATOM 96 CB LYS A 6 48.375 51.013 29.744 1.00 0.00 C ATOM 97 CG LYS A 6 49.163 51.842 30.754 1.00 0.00 C ATOM 98 CD LYS A 6 50.672 51.618 30.817 1.00 0.00 C ATOM 99 CE LYS A 6 51.123 50.170 30.986 1.00 0.00 C ATOM 100 NZ LYS A 6 50.487 49.510 32.137 1.00 0.00 N ATOM 0 H LYS A 6 47.046 50.069 27.888 1.00 0.00 H new ATOM 0 HA LYS A 6 48.778 52.429 28.212 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.312 51.131 29.955 1.00 0.00 H new ATOM 0 HB3 LYS A 6 48.616 49.961 29.898 1.00 0.00 H new ATOM 0 HG2 LYS A 6 48.987 52.895 30.537 1.00 0.00 H new ATOM 0 HG3 LYS A 6 48.751 51.648 31.744 1.00 0.00 H new ATOM 0 HD2 LYS A 6 51.117 52.013 29.904 1.00 0.00 H new ATOM 0 HD3 LYS A 6 51.073 52.202 31.645 1.00 0.00 H new ATOM 0 HE2 LYS A 6 50.891 49.613 30.078 1.00 0.00 H new ATOM 0 HE3 LYS A 6 52.206 50.143 31.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 51.108 48.754 32.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 50.326 50.207 32.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 49.577 49.101 31.844 1.00 0.00 H new ATOM 168 N LYS A 11 52.775 55.508 28.795 1.00 0.00 N ATOM 169 CA LYS A 11 51.780 56.257 28.054 1.00 0.00 C ATOM 170 C LYS A 11 50.465 55.480 27.956 1.00 0.00 C ATOM 171 O LYS A 11 50.458 54.252 27.988 1.00 0.00 O ATOM 172 CB LYS A 11 52.380 56.566 26.686 1.00 0.00 C ATOM 173 CG LYS A 11 51.445 57.141 25.626 1.00 0.00 C ATOM 174 CD LYS A 11 52.192 57.285 24.302 1.00 0.00 C ATOM 175 CE LYS A 11 51.336 58.005 23.263 1.00 0.00 C ATOM 176 NZ LYS A 11 51.956 57.960 21.930 1.00 0.00 N ATOM 0 HA LYS A 11 51.530 57.188 28.563 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.201 57.269 26.829 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.812 55.646 26.292 1.00 0.00 H new ATOM 0 HG2 LYS A 11 50.581 56.489 25.498 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.067 58.111 25.949 1.00 0.00 H new ATOM 0 HD2 LYS A 11 53.118 57.838 24.462 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.470 56.299 23.929 1.00 0.00 H new ATOM 0 HE2 LYS A 11 50.348 57.546 23.222 1.00 0.00 H new ATOM 0 HE3 LYS A 11 51.192 59.043 23.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 51.859 58.888 21.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 52.965 57.724 22.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 51.484 57.236 21.352 1.00 0.00 H new ATOM 190 N THR A 12 49.356 56.191 27.770 1.00 0.00 N ATOM 191 CA THR A 12 48.083 55.633 27.364 1.00 0.00 C ATOM 192 C THR A 12 47.676 56.210 26.007 1.00 0.00 C ATOM 193 O THR A 12 47.925 57.384 25.744 1.00 0.00 O ATOM 194 CB THR A 12 47.017 55.851 28.435 1.00 0.00 C ATOM 195 OG1 THR A 12 47.379 55.176 29.620 1.00 0.00 O ATOM 196 CG2 THR A 12 45.643 55.299 28.064 1.00 0.00 C ATOM 0 H THR A 12 49.325 57.202 27.904 1.00 0.00 H new ATOM 0 HA THR A 12 48.185 54.554 27.251 1.00 0.00 H new ATOM 0 HB THR A 12 46.957 56.933 28.550 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.691 55.322 30.303 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.942 55.493 28.875 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.289 55.785 27.155 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.716 54.224 27.897 1.00 0.00 H new ATOM 204 N ILE A 13 47.083 55.391 25.144 1.00 0.00 N ATOM 205 CA ILE A 13 46.451 55.776 23.898 1.00 0.00 C ATOM 206 C ILE A 13 44.961 55.429 23.915 1.00 0.00 C ATOM 207 O ILE A 13 44.558 54.464 24.561 1.00 0.00 O ATOM 208 CB ILE A 13 47.139 55.162 22.682 1.00 0.00 C ATOM 209 CG1 ILE A 13 47.171 53.637 22.717 1.00 0.00 C ATOM 210 CG2 ILE A 13 48.532 55.759 22.506 1.00 0.00 C ATOM 211 CD1 ILE A 13 47.667 52.983 21.430 1.00 0.00 C ATOM 0 H ILE A 13 47.031 54.386 25.310 1.00 0.00 H new ATOM 0 HA ILE A 13 46.556 56.857 23.808 1.00 0.00 H new ATOM 0 HB ILE A 13 46.540 55.417 21.808 1.00 0.00 H new ATOM 0 HG12 ILE A 13 47.810 53.319 23.541 1.00 0.00 H new ATOM 0 HG13 ILE A 13 46.167 53.270 22.932 1.00 0.00 H new ATOM 0 HG21 ILE A 13 49.012 55.312 21.635 1.00 0.00 H new ATOM 0 HG22 ILE A 13 48.451 56.836 22.363 1.00 0.00 H new ATOM 0 HG23 ILE A 13 49.130 55.555 23.394 1.00 0.00 H new ATOM 0 HD11 ILE A 13 47.656 51.899 21.545 1.00 0.00 H new ATOM 0 HD12 ILE A 13 47.016 53.267 20.603 1.00 0.00 H new ATOM 0 HD13 ILE A 13 48.684 53.316 21.221 1.00 0.00 H new ATOM 223 N THR A 14 44.145 56.171 23.173 1.00 0.00 N ATOM 224 CA THR A 14 42.727 55.932 22.996 1.00 0.00 C ATOM 225 C THR A 14 42.469 55.256 21.648 1.00 0.00 C ATOM 226 O THR A 14 42.957 55.730 20.624 1.00 0.00 O ATOM 227 CB THR A 14 41.916 57.222 23.067 1.00 0.00 C ATOM 228 OG1 THR A 14 42.272 58.018 24.175 1.00 0.00 O ATOM 229 CG2 THR A 14 40.417 56.956 23.192 1.00 0.00 C ATOM 0 H THR A 14 44.473 56.989 22.659 1.00 0.00 H new ATOM 0 HA THR A 14 42.409 55.282 23.811 1.00 0.00 H new ATOM 0 HB THR A 14 42.140 57.739 22.134 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.948 57.596 24.998 1.00 0.00 H new ATOM 0 HG21 THR A 14 39.882 57.904 23.239 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.075 56.389 22.326 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.223 56.385 24.100 1.00 0.00 H new ATOM 237 N LEU A 15 41.680 54.185 21.627 1.00 0.00 N ATOM 238 CA LEU A 15 41.301 53.454 20.435 1.00 0.00 C ATOM 239 C LEU A 15 39.788 53.504 20.207 1.00 0.00 C ATOM 240 O LEU A 15 39.004 53.597 21.148 1.00 0.00 O ATOM 241 CB LEU A 15 41.805 52.017 20.533 1.00 0.00 C ATOM 242 CG LEU A 15 42.978 51.681 19.615 1.00 0.00 C ATOM 243 CD1 LEU A 15 44.259 52.415 19.997 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.263 50.184 19.688 1.00 0.00 C ATOM 0 H LEU A 15 41.275 53.792 22.477 1.00 0.00 H new ATOM 0 HA LEU A 15 41.765 53.928 19.570 1.00 0.00 H new ATOM 0 HB2 LEU A 15 42.102 51.821 21.563 1.00 0.00 H new ATOM 0 HB3 LEU A 15 40.980 51.342 20.305 1.00 0.00 H new ATOM 0 HG LEU A 15 42.689 51.993 18.611 1.00 0.00 H new ATOM 0 HD11 LEU A 15 45.057 52.136 19.309 1.00 0.00 H new ATOM 0 HD12 LEU A 15 44.092 53.491 19.942 1.00 0.00 H new ATOM 0 HD13 LEU A 15 44.545 52.144 21.013 1.00 0.00 H new ATOM 0 HD21 LEU A 15 44.100 49.941 19.034 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.513 49.911 20.713 1.00 0.00 H new ATOM 0 HD23 LEU A 15 42.380 49.630 19.369 1.00 0.00 H new ATOM 256 N GLU A 16 39.372 53.397 18.947 1.00 0.00 N ATOM 257 CA GLU A 16 38.001 53.151 18.549 1.00 0.00 C ATOM 258 C GLU A 16 37.867 51.725 18.012 1.00 0.00 C ATOM 259 O GLU A 16 38.628 51.300 17.146 1.00 0.00 O ATOM 260 CB GLU A 16 37.577 54.221 17.548 1.00 0.00 C ATOM 261 CG GLU A 16 36.098 54.179 17.172 1.00 0.00 C ATOM 262 CD GLU A 16 35.151 54.463 18.340 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.468 55.322 19.191 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.047 53.878 18.363 1.00 0.00 O ATOM 0 H GLU A 16 40.007 53.483 18.153 1.00 0.00 H new ATOM 0 HA GLU A 16 37.325 53.222 19.401 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.806 55.202 17.964 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.173 54.111 16.642 1.00 0.00 H new ATOM 0 HG2 GLU A 16 35.913 54.908 16.383 1.00 0.00 H new ATOM 0 HG3 GLU A 16 35.866 53.197 16.760 1.00 0.00 H new ATOM 271 N VAL A 17 36.932 50.953 18.559 1.00 0.00 N ATOM 272 CA VAL A 17 36.763 49.537 18.301 1.00 0.00 C ATOM 273 C VAL A 17 35.286 49.135 18.279 1.00 0.00 C ATOM 274 O VAL A 17 34.442 49.769 18.908 1.00 0.00 O ATOM 275 CB VAL A 17 37.495 48.670 19.321 1.00 0.00 C ATOM 276 CG1 VAL A 17 39.008 48.859 19.266 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.021 48.911 20.751 1.00 0.00 C ATOM 0 H VAL A 17 36.246 51.318 19.220 1.00 0.00 H new ATOM 0 HA VAL A 17 37.199 49.364 17.317 1.00 0.00 H new ATOM 0 HB VAL A 17 37.252 47.645 19.040 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.482 48.220 20.011 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.372 48.591 18.274 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.252 49.901 19.473 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.577 48.267 21.432 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.189 49.954 21.019 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.957 48.685 20.825 1.00 0.00 H new ATOM 287 N GLU A 18 35.003 48.022 17.608 1.00 0.00 N ATOM 288 CA GLU A 18 33.740 47.319 17.722 1.00 0.00 C ATOM 289 C GLU A 18 33.860 46.176 18.732 1.00 0.00 C ATOM 290 O GLU A 18 34.922 45.562 18.816 1.00 0.00 O ATOM 291 CB GLU A 18 33.330 46.776 16.357 1.00 0.00 C ATOM 292 CG GLU A 18 32.850 47.878 15.417 1.00 0.00 C ATOM 293 CD GLU A 18 32.813 47.372 13.973 1.00 0.00 C ATOM 294 OE1 GLU A 18 31.723 46.997 13.492 1.00 0.00 O ATOM 295 OE2 GLU A 18 33.888 47.335 13.338 1.00 0.00 O ATOM 0 H GLU A 18 35.658 47.581 16.962 1.00 0.00 H new ATOM 0 HA GLU A 18 32.976 48.013 18.074 1.00 0.00 H new ATOM 0 HB2 GLU A 18 34.176 46.259 15.905 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.537 46.039 16.485 1.00 0.00 H new ATOM 0 HG2 GLU A 18 31.857 48.213 15.717 1.00 0.00 H new ATOM 0 HG3 GLU A 18 33.513 48.740 15.490 1.00 0.00 H new ATOM 302 N PRO A 19 32.797 45.785 19.428 1.00 0.00 N ATOM 303 CA PRO A 19 32.763 44.538 20.166 1.00 0.00 C ATOM 304 C PRO A 19 33.103 43.305 19.326 1.00 0.00 C ATOM 305 O PRO A 19 33.639 42.327 19.843 1.00 0.00 O ATOM 306 CB PRO A 19 31.362 44.467 20.766 1.00 0.00 C ATOM 307 CG PRO A 19 30.968 45.933 20.917 1.00 0.00 C ATOM 308 CD PRO A 19 31.611 46.575 19.690 1.00 0.00 C ATOM 0 HA PRO A 19 33.538 44.529 20.932 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.672 43.931 20.114 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.361 43.950 21.725 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.886 46.064 20.924 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.347 46.362 21.845 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.932 46.562 18.837 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.866 47.618 19.879 1.00 0.00 H new ATOM 316 N SER A 20 32.857 43.371 18.022 1.00 0.00 N ATOM 317 CA SER A 20 33.230 42.388 17.024 1.00 0.00 C ATOM 318 C SER A 20 34.663 42.488 16.497 1.00 0.00 C ATOM 319 O SER A 20 35.028 41.688 15.638 1.00 0.00 O ATOM 320 CB SER A 20 32.274 42.442 15.835 1.00 0.00 C ATOM 321 OG SER A 20 30.935 42.291 16.248 1.00 0.00 O ATOM 0 H SER A 20 32.361 44.163 17.614 1.00 0.00 H new ATOM 0 HA SER A 20 33.165 41.438 17.554 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.391 43.392 15.314 1.00 0.00 H new ATOM 0 HB3 SER A 20 32.529 41.655 15.125 1.00 0.00 H new ATOM 0 HG SER A 20 30.345 42.331 15.466 1.00 0.00 H new ATOM 327 N ASP A 21 35.489 43.432 16.937 1.00 0.00 N ATOM 328 CA ASP A 21 36.892 43.447 16.573 1.00 0.00 C ATOM 329 C ASP A 21 37.636 42.315 17.283 1.00 0.00 C ATOM 330 O ASP A 21 37.459 42.076 18.476 1.00 0.00 O ATOM 331 CB ASP A 21 37.570 44.785 16.858 1.00 0.00 C ATOM 332 CG ASP A 21 37.421 45.825 15.748 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.451 45.459 14.553 1.00 0.00 O ATOM 334 OD2 ASP A 21 37.349 47.038 16.044 1.00 0.00 O ATOM 0 H ASP A 21 35.205 44.197 17.548 1.00 0.00 H new ATOM 0 HA ASP A 21 36.937 43.297 15.494 1.00 0.00 H new ATOM 0 HB2 ASP A 21 37.159 45.196 17.780 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.631 44.609 17.033 1.00 0.00 H new ATOM 339 N THR A 22 38.503 41.627 16.545 1.00 0.00 N ATOM 340 CA THR A 22 39.423 40.635 17.063 1.00 0.00 C ATOM 341 C THR A 22 40.558 41.273 17.869 1.00 0.00 C ATOM 342 O THR A 22 40.887 42.443 17.685 1.00 0.00 O ATOM 343 CB THR A 22 40.008 39.790 15.936 1.00 0.00 C ATOM 344 OG1 THR A 22 40.511 40.647 14.935 1.00 0.00 O ATOM 345 CG2 THR A 22 38.981 38.866 15.288 1.00 0.00 C ATOM 0 H THR A 22 38.582 41.754 15.536 1.00 0.00 H new ATOM 0 HA THR A 22 38.849 39.993 17.731 1.00 0.00 H new ATOM 0 HB THR A 22 40.789 39.170 16.377 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.744 40.122 14.141 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.458 38.292 14.494 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.580 38.184 16.038 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.170 39.461 14.868 1.00 0.00 H new ATOM 353 N ILE A 23 41.248 40.495 18.698 1.00 0.00 N ATOM 354 CA ILE A 23 42.493 40.930 19.296 1.00 0.00 C ATOM 355 C ILE A 23 43.543 41.172 18.209 1.00 0.00 C ATOM 356 O ILE A 23 44.322 42.114 18.333 1.00 0.00 O ATOM 357 CB ILE A 23 42.937 39.973 20.398 1.00 0.00 C ATOM 358 CG1 ILE A 23 42.250 40.271 21.727 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.434 40.014 20.688 1.00 0.00 C ATOM 360 CD1 ILE A 23 40.726 40.180 21.773 1.00 0.00 C ATOM 0 H ILE A 23 40.958 39.555 18.968 1.00 0.00 H new ATOM 0 HA ILE A 23 42.347 41.888 19.795 1.00 0.00 H new ATOM 0 HB ILE A 23 42.660 38.994 20.007 1.00 0.00 H new ATOM 0 HG12 ILE A 23 42.650 39.584 22.473 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.536 41.277 22.034 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.670 39.306 21.483 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.987 39.746 19.787 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.716 41.019 21.002 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.378 40.417 22.778 1.00 0.00 H new ATOM 0 HD12 ILE A 23 40.298 40.889 21.064 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.414 39.169 21.510 1.00 0.00 H new ATOM 372 N GLU A 24 43.514 40.438 17.100 1.00 0.00 N ATOM 373 CA GLU A 24 44.269 40.753 15.904 1.00 0.00 C ATOM 374 C GLU A 24 43.983 42.163 15.383 1.00 0.00 C ATOM 375 O GLU A 24 44.921 42.923 15.156 1.00 0.00 O ATOM 376 CB GLU A 24 43.983 39.693 14.844 1.00 0.00 C ATOM 377 CG GLU A 24 44.786 39.855 13.557 1.00 0.00 C ATOM 378 CD GLU A 24 44.348 38.819 12.518 1.00 0.00 C ATOM 379 OE1 GLU A 24 43.376 39.091 11.783 1.00 0.00 O ATOM 380 OE2 GLU A 24 44.974 37.740 12.443 1.00 0.00 O ATOM 0 H GLU A 24 42.952 39.592 17.012 1.00 0.00 H new ATOM 0 HA GLU A 24 45.330 40.742 16.153 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.191 38.710 15.266 1.00 0.00 H new ATOM 0 HB3 GLU A 24 42.921 39.718 14.601 1.00 0.00 H new ATOM 0 HG2 GLU A 24 44.647 40.860 13.158 1.00 0.00 H new ATOM 0 HG3 GLU A 24 45.849 39.740 13.768 1.00 0.00 H new ATOM 387 N ASN A 25 42.718 42.554 15.254 1.00 0.00 N ATOM 388 CA ASN A 25 42.322 43.883 14.834 1.00 0.00 C ATOM 389 C ASN A 25 42.778 44.970 15.809 1.00 0.00 C ATOM 390 O ASN A 25 43.184 46.042 15.364 1.00 0.00 O ATOM 391 CB ASN A 25 40.810 43.951 14.649 1.00 0.00 C ATOM 392 CG ASN A 25 40.302 43.381 13.323 1.00 0.00 C ATOM 393 OD1 ASN A 25 41.022 42.756 12.547 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.023 43.591 13.030 1.00 0.00 N ATOM 0 H ASN A 25 41.927 41.938 15.444 1.00 0.00 H new ATOM 0 HA ASN A 25 42.818 44.074 13.883 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.333 43.412 15.467 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.495 44.991 14.726 1.00 0.00 H new ATOM 0 HD21 ASN A 25 38.634 43.233 12.158 1.00 0.00 H new ATOM 0 HD22 ASN A 25 38.430 44.110 13.677 1.00 0.00 H new ATOM 401 N VAL A 26 42.757 44.714 17.114 1.00 0.00 N ATOM 402 CA VAL A 26 43.232 45.644 18.118 1.00 0.00 C ATOM 403 C VAL A 26 44.757 45.774 18.080 1.00 0.00 C ATOM 404 O VAL A 26 45.261 46.894 18.043 1.00 0.00 O ATOM 405 CB VAL A 26 42.724 45.282 19.511 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.283 46.213 20.582 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.205 45.404 19.572 1.00 0.00 C ATOM 0 H VAL A 26 42.403 43.840 17.503 1.00 0.00 H new ATOM 0 HA VAL A 26 42.818 46.623 17.878 1.00 0.00 H new ATOM 0 HB VAL A 26 43.051 44.259 19.699 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.896 45.919 21.558 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.371 46.148 20.589 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.982 47.238 20.366 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.859 45.142 20.572 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.913 46.429 19.343 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.756 44.728 18.844 1.00 0.00 H new ATOM 417 N LYS A 27 45.499 44.675 17.987 1.00 0.00 N ATOM 418 CA LYS A 27 46.934 44.703 17.788 1.00 0.00 C ATOM 419 C LYS A 27 47.327 45.446 16.511 1.00 0.00 C ATOM 420 O LYS A 27 48.312 46.180 16.524 1.00 0.00 O ATOM 421 CB LYS A 27 47.497 43.285 17.727 1.00 0.00 C ATOM 422 CG LYS A 27 47.567 42.530 19.052 1.00 0.00 C ATOM 423 CD LYS A 27 48.133 41.144 18.757 1.00 0.00 C ATOM 424 CE LYS A 27 48.603 40.381 19.992 1.00 0.00 C ATOM 425 NZ LYS A 27 49.421 39.233 19.574 1.00 0.00 N ATOM 0 H LYS A 27 45.112 43.733 18.049 1.00 0.00 H new ATOM 0 HA LYS A 27 47.355 45.237 18.640 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.889 42.704 17.034 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.501 43.333 17.307 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.201 43.060 19.763 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.578 42.453 19.503 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.371 40.554 18.248 1.00 0.00 H new ATOM 0 HD3 LYS A 27 48.971 41.246 18.067 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.183 41.038 20.640 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.745 40.039 20.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 49.867 38.802 20.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.817 38.530 19.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 50.159 39.554 18.915 1.00 0.00 H new ATOM 439 N ALA A 28 46.555 45.303 15.436 1.00 0.00 N ATOM 440 CA ALA A 28 46.757 46.028 14.198 1.00 0.00 C ATOM 441 C ALA A 28 46.499 47.527 14.355 1.00 0.00 C ATOM 442 O ALA A 28 47.320 48.331 13.916 1.00 0.00 O ATOM 443 CB ALA A 28 45.890 45.395 13.113 1.00 0.00 C ATOM 0 H ALA A 28 45.759 44.666 15.407 1.00 0.00 H new ATOM 0 HA ALA A 28 47.804 45.950 13.904 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.032 45.931 12.175 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.176 44.351 12.981 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.842 45.450 13.407 1.00 0.00 H new ATOM 449 N LYS A 29 45.452 47.932 15.069 1.00 0.00 N ATOM 450 CA LYS A 29 45.208 49.317 15.414 1.00 0.00 C ATOM 451 C LYS A 29 46.317 49.910 16.285 1.00 0.00 C ATOM 452 O LYS A 29 46.672 51.072 16.101 1.00 0.00 O ATOM 453 CB LYS A 29 43.832 49.462 16.059 1.00 0.00 C ATOM 454 CG LYS A 29 42.688 49.386 15.053 1.00 0.00 C ATOM 455 CD LYS A 29 41.313 49.309 15.711 1.00 0.00 C ATOM 456 CE LYS A 29 40.233 49.340 14.633 1.00 0.00 C ATOM 457 NZ LYS A 29 38.872 49.306 15.189 1.00 0.00 N ATOM 0 H LYS A 29 44.742 47.292 15.426 1.00 0.00 H new ATOM 0 HA LYS A 29 45.218 49.897 14.491 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.703 48.679 16.806 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.783 50.415 16.585 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.725 50.261 14.404 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.829 48.512 14.417 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.230 48.395 16.299 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.180 50.144 16.399 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.352 50.241 14.031 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.369 48.490 13.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.190 49.582 14.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.656 48.344 15.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.807 49.969 15.988 1.00 0.00 H new ATOM 471 N ILE A 30 46.913 49.118 17.173 1.00 0.00 N ATOM 472 CA ILE A 30 48.069 49.468 17.973 1.00 0.00 C ATOM 473 C ILE A 30 49.331 49.587 17.116 1.00 0.00 C ATOM 474 O ILE A 30 50.100 50.523 17.319 1.00 0.00 O ATOM 475 CB ILE A 30 48.245 48.493 19.133 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.107 48.617 20.141 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.577 48.692 19.852 1.00 0.00 C ATOM 478 CD1 ILE A 30 46.994 47.410 21.069 1.00 0.00 C ATOM 0 H ILE A 30 46.582 48.171 17.358 1.00 0.00 H new ATOM 0 HA ILE A 30 47.894 50.453 18.405 1.00 0.00 H new ATOM 0 HB ILE A 30 48.232 47.494 18.697 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.257 49.515 20.740 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.167 48.744 19.604 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.659 47.977 20.670 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.396 48.536 19.150 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.628 49.706 20.250 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.166 47.560 21.762 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.814 46.512 20.478 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.921 47.295 21.631 1.00 0.00 H new ATOM 490 N GLN A 31 49.557 48.715 16.138 1.00 0.00 N ATOM 491 CA GLN A 31 50.646 48.833 15.189 1.00 0.00 C ATOM 492 C GLN A 31 50.523 50.129 14.386 1.00 0.00 C ATOM 493 O GLN A 31 51.478 50.899 14.300 1.00 0.00 O ATOM 494 CB GLN A 31 50.674 47.604 14.285 1.00 0.00 C ATOM 495 CG GLN A 31 51.718 47.674 13.175 1.00 0.00 C ATOM 496 CD GLN A 31 51.824 46.375 12.373 1.00 0.00 C ATOM 497 OE1 GLN A 31 52.891 45.781 12.230 1.00 0.00 O ATOM 498 NE2 GLN A 31 50.736 45.869 11.799 1.00 0.00 N ATOM 0 H GLN A 31 48.974 47.892 15.985 1.00 0.00 H new ATOM 0 HA GLN A 31 51.593 48.879 15.727 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.866 46.721 14.895 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.689 47.473 13.836 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.468 48.492 12.500 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.690 47.906 13.611 1.00 0.00 H new ATOM 0 HE21 GLN A 31 49.838 46.342 11.902 1.00 0.00 H new ATOM 0 HE22 GLN A 31 50.799 45.008 11.256 1.00 0.00 H new ATOM 507 N ASP A 32 49.331 50.405 13.864 1.00 0.00 N ATOM 508 CA ASP A 32 49.021 51.619 13.136 1.00 0.00 C ATOM 509 C ASP A 32 49.192 52.886 13.976 1.00 0.00 C ATOM 510 O ASP A 32 49.561 53.921 13.425 1.00 0.00 O ATOM 511 CB ASP A 32 47.615 51.472 12.558 1.00 0.00 C ATOM 512 CG ASP A 32 47.159 52.710 11.784 1.00 0.00 C ATOM 513 OD1 ASP A 32 46.148 53.314 12.205 1.00 0.00 O ATOM 514 OD2 ASP A 32 47.808 53.071 10.778 1.00 0.00 O ATOM 0 H ASP A 32 48.537 49.770 13.941 1.00 0.00 H new ATOM 0 HA ASP A 32 49.738 51.746 12.325 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.588 50.606 11.897 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.913 51.277 13.368 1.00 0.00 H new ATOM 519 N LYS A 33 49.002 52.833 15.291 1.00 0.00 N ATOM 520 CA LYS A 33 49.194 53.961 16.181 1.00 0.00 C ATOM 521 C LYS A 33 50.625 54.137 16.692 1.00 0.00 C ATOM 522 O LYS A 33 51.130 55.257 16.678 1.00 0.00 O ATOM 523 CB LYS A 33 48.175 53.908 17.315 1.00 0.00 C ATOM 524 CG LYS A 33 48.044 55.187 18.136 1.00 0.00 C ATOM 525 CD LYS A 33 47.788 56.473 17.358 1.00 0.00 C ATOM 526 CE LYS A 33 46.598 56.382 16.408 1.00 0.00 C ATOM 527 NZ LYS A 33 46.418 57.633 15.655 1.00 0.00 N ATOM 0 H LYS A 33 48.704 51.985 15.772 1.00 0.00 H new ATOM 0 HA LYS A 33 49.020 54.857 15.586 1.00 0.00 H new ATOM 0 HB2 LYS A 33 47.200 53.665 16.893 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.445 53.092 17.985 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.231 55.052 18.849 1.00 0.00 H new ATOM 0 HG3 LYS A 33 48.958 55.315 18.715 1.00 0.00 H new ATOM 0 HD2 LYS A 33 47.619 57.287 18.063 1.00 0.00 H new ATOM 0 HD3 LYS A 33 48.681 56.726 16.786 1.00 0.00 H new ATOM 0 HE2 LYS A 33 46.747 55.555 15.713 1.00 0.00 H new ATOM 0 HE3 LYS A 33 45.693 56.163 16.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 45.601 57.540 15.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 46.252 58.417 16.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 47.273 57.828 15.096 1.00 0.00 H new ATOM 541 N GLU A 34 51.294 53.074 17.129 1.00 0.00 N ATOM 542 CA GLU A 34 52.520 53.120 17.901 1.00 0.00 C ATOM 543 C GLU A 34 53.684 52.314 17.320 1.00 0.00 C ATOM 544 O GLU A 34 54.778 52.335 17.879 1.00 0.00 O ATOM 545 CB GLU A 34 52.234 52.669 19.331 1.00 0.00 C ATOM 546 CG GLU A 34 51.333 53.603 20.133 1.00 0.00 C ATOM 547 CD GLU A 34 51.970 54.967 20.405 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.055 55.026 21.025 1.00 0.00 O ATOM 549 OE2 GLU A 34 51.390 56.009 20.027 1.00 0.00 O ATOM 0 H GLU A 34 50.980 52.121 16.945 1.00 0.00 H new ATOM 0 HA GLU A 34 52.851 54.158 17.871 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.773 51.682 19.299 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.182 52.561 19.859 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.397 53.747 19.593 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.083 53.130 21.083 1.00 0.00 H new ATOM 556 N GLY A 35 53.496 51.617 16.204 1.00 0.00 N ATOM 557 CA GLY A 35 54.569 51.064 15.402 1.00 0.00 C ATOM 558 C GLY A 35 55.173 49.736 15.862 1.00 0.00 C ATOM 559 O GLY A 35 56.286 49.421 15.447 1.00 0.00 O ATOM 0 H GLY A 35 52.569 51.419 15.828 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.198 50.932 14.386 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.370 51.801 15.355 1.00 0.00 H new ATOM 563 N ILE A 36 54.486 48.960 16.697 1.00 0.00 N ATOM 564 CA ILE A 36 54.960 47.706 17.247 1.00 0.00 C ATOM 565 C ILE A 36 54.311 46.529 16.516 1.00 0.00 C ATOM 566 O ILE A 36 53.086 46.442 16.534 1.00 0.00 O ATOM 567 CB ILE A 36 54.706 47.647 18.751 1.00 0.00 C ATOM 568 CG1 ILE A 36 55.397 48.793 19.483 1.00 0.00 C ATOM 569 CG2 ILE A 36 55.181 46.313 19.318 1.00 0.00 C ATOM 570 CD1 ILE A 36 54.945 48.989 20.928 1.00 0.00 C ATOM 0 H ILE A 36 53.549 49.203 17.017 1.00 0.00 H new ATOM 0 HA ILE A 36 56.037 47.639 17.097 1.00 0.00 H new ATOM 0 HB ILE A 36 53.631 47.745 18.905 1.00 0.00 H new ATOM 0 HG12 ILE A 36 56.473 48.617 19.473 1.00 0.00 H new ATOM 0 HG13 ILE A 36 55.221 49.717 18.933 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.993 46.286 20.391 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.641 45.499 18.835 1.00 0.00 H new ATOM 0 HG23 ILE A 36 56.249 46.199 19.134 1.00 0.00 H new ATOM 0 HD11 ILE A 36 55.489 49.824 21.369 1.00 0.00 H new ATOM 0 HD12 ILE A 36 53.876 49.200 20.949 1.00 0.00 H new ATOM 0 HD13 ILE A 36 55.147 48.083 21.499 1.00 0.00 H new ATOM 582 N PRO A 37 55.057 45.603 15.920 1.00 0.00 N ATOM 583 CA PRO A 37 54.514 44.450 15.229 1.00 0.00 C ATOM 584 C PRO A 37 53.616 43.556 16.088 1.00 0.00 C ATOM 585 O PRO A 37 54.043 43.146 17.164 1.00 0.00 O ATOM 586 CB PRO A 37 55.719 43.679 14.697 1.00 0.00 C ATOM 587 CG PRO A 37 56.736 44.788 14.442 1.00 0.00 C ATOM 588 CD PRO A 37 56.472 45.712 15.627 1.00 0.00 C ATOM 0 HA PRO A 37 53.849 44.789 14.435 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.086 42.951 15.420 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.480 43.131 13.786 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.760 44.413 14.433 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.570 45.286 13.487 1.00 0.00 H new ATOM 0 HD2 PRO A 37 57.071 45.420 16.489 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.741 46.740 15.386 1.00 0.00 H new ATOM 596 N PRO A 38 52.411 43.202 15.651 1.00 0.00 N ATOM 597 CA PRO A 38 51.483 42.359 16.376 1.00 0.00 C ATOM 598 C PRO A 38 52.020 41.014 16.867 1.00 0.00 C ATOM 599 O PRO A 38 51.601 40.542 17.923 1.00 0.00 O ATOM 600 CB PRO A 38 50.324 42.133 15.410 1.00 0.00 C ATOM 601 CG PRO A 38 50.249 43.467 14.673 1.00 0.00 C ATOM 602 CD PRO A 38 51.733 43.783 14.510 1.00 0.00 C ATOM 0 HA PRO A 38 51.218 42.867 17.303 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.517 41.303 14.730 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.396 41.906 15.935 1.00 0.00 H new ATOM 0 HG2 PRO A 38 49.736 43.382 13.715 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.724 44.229 15.249 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.117 43.367 13.579 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.897 44.860 14.470 1.00 0.00 H new ATOM 610 N ASP A 39 52.977 40.419 16.160 1.00 0.00 N ATOM 611 CA ASP A 39 53.613 39.182 16.563 1.00 0.00 C ATOM 612 C ASP A 39 54.543 39.321 17.770 1.00 0.00 C ATOM 613 O ASP A 39 54.927 38.315 18.360 1.00 0.00 O ATOM 614 CB ASP A 39 54.320 38.531 15.378 1.00 0.00 C ATOM 615 CG ASP A 39 55.684 39.151 15.069 1.00 0.00 C ATOM 616 OD1 ASP A 39 55.737 40.145 14.313 1.00 0.00 O ATOM 617 OD2 ASP A 39 56.708 38.621 15.552 1.00 0.00 O ATOM 0 H ASP A 39 53.333 40.793 15.280 1.00 0.00 H new ATOM 0 HA ASP A 39 52.812 38.525 16.900 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.450 37.468 15.581 1.00 0.00 H new ATOM 0 HB3 ASP A 39 53.684 38.612 14.496 1.00 0.00 H new ATOM 622 N GLN A 40 54.885 40.544 18.164 1.00 0.00 N ATOM 623 CA GLN A 40 55.669 40.876 19.338 1.00 0.00 C ATOM 624 C GLN A 40 54.807 41.376 20.500 1.00 0.00 C ATOM 625 O GLN A 40 55.290 41.486 21.624 1.00 0.00 O ATOM 626 CB GLN A 40 56.702 41.937 18.974 1.00 0.00 C ATOM 627 CG GLN A 40 57.592 41.599 17.781 1.00 0.00 C ATOM 628 CD GLN A 40 58.621 42.697 17.502 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.037 43.436 18.390 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.120 42.835 16.276 1.00 0.00 N ATOM 0 H GLN A 40 54.604 41.373 17.640 1.00 0.00 H new ATOM 0 HA GLN A 40 56.160 39.962 19.671 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.181 42.871 18.764 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.338 42.114 19.842 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.109 40.658 17.970 1.00 0.00 H new ATOM 0 HG3 GLN A 40 56.972 41.451 16.897 1.00 0.00 H new ATOM 0 HE21 GLN A 40 58.791 42.233 15.521 1.00 0.00 H new ATOM 0 HE22 GLN A 40 59.831 43.542 16.092 1.00 0.00 H new ATOM 639 N GLN A 41 53.539 41.687 20.248 1.00 0.00 N ATOM 640 CA GLN A 41 52.594 42.156 21.240 1.00 0.00 C ATOM 641 C GLN A 41 51.930 40.985 21.967 1.00 0.00 C ATOM 642 O GLN A 41 51.573 39.993 21.335 1.00 0.00 O ATOM 643 CB GLN A 41 51.502 43.002 20.590 1.00 0.00 C ATOM 644 CG GLN A 41 51.941 44.258 19.844 1.00 0.00 C ATOM 645 CD GLN A 41 50.748 45.029 19.274 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.678 45.113 19.875 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.839 45.615 18.084 1.00 0.00 N ATOM 0 H GLN A 41 53.134 41.615 19.315 1.00 0.00 H new ATOM 0 HA GLN A 41 53.153 42.759 21.956 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.955 42.368 19.891 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.799 43.300 21.367 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.502 44.904 20.519 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.616 43.982 19.034 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.711 45.566 17.557 1.00 0.00 H new ATOM 0 HE22 GLN A 41 50.037 46.113 17.698 1.00 0.00 H new ATOM 656 N ARG A 42 51.603 41.150 23.245 1.00 0.00 N ATOM 657 CA ARG A 42 50.446 40.517 23.846 1.00 0.00 C ATOM 658 C ARG A 42 49.632 41.506 24.681 1.00 0.00 C ATOM 659 O ARG A 42 50.201 42.406 25.294 1.00 0.00 O ATOM 660 CB ARG A 42 50.803 39.233 24.588 1.00 0.00 C ATOM 661 CG ARG A 42 51.538 39.398 25.915 1.00 0.00 C ATOM 662 CD ARG A 42 51.700 38.033 26.576 1.00 0.00 C ATOM 663 NE ARG A 42 52.317 38.122 27.899 1.00 0.00 N ATOM 664 CZ ARG A 42 53.625 38.071 28.188 1.00 0.00 C ATOM 665 NH1 ARG A 42 54.571 37.783 27.284 1.00 0.00 N ATOM 666 NH2 ARG A 42 54.014 38.324 29.445 1.00 0.00 N ATOM 0 H ARG A 42 52.139 41.730 23.891 1.00 0.00 H new ATOM 0 HA ARG A 42 49.790 40.200 23.035 1.00 0.00 H new ATOM 0 HB2 ARG A 42 49.883 38.679 24.774 1.00 0.00 H new ATOM 0 HB3 ARG A 42 51.418 38.618 23.931 1.00 0.00 H new ATOM 0 HG2 ARG A 42 52.515 39.852 25.749 1.00 0.00 H new ATOM 0 HG3 ARG A 42 50.982 40.068 26.571 1.00 0.00 H new ATOM 0 HD2 ARG A 42 50.723 37.558 26.665 1.00 0.00 H new ATOM 0 HD3 ARG A 42 52.309 37.393 25.937 1.00 0.00 H new ATOM 0 HE ARG A 42 51.682 38.235 28.689 1.00 0.00 H new ATOM 0 HH11 ARG A 42 54.310 37.588 26.317 1.00 0.00 H new ATOM 0 HH12 ARG A 42 55.552 37.759 27.562 1.00 0.00 H new ATOM 0 HH21 ARG A 42 53.320 38.549 30.158 1.00 0.00 H new ATOM 0 HH22 ARG A 42 55.004 38.291 29.689 1.00 0.00 H new ATOM 680 N LEU A 43 48.311 41.352 24.678 1.00 0.00 N ATOM 681 CA LEU A 43 47.372 42.230 25.348 1.00 0.00 C ATOM 682 C LEU A 43 46.739 41.552 26.565 1.00 0.00 C ATOM 683 O LEU A 43 46.376 40.379 26.500 1.00 0.00 O ATOM 684 CB LEU A 43 46.319 42.736 24.366 1.00 0.00 C ATOM 685 CG LEU A 43 46.845 43.401 23.097 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.677 43.912 22.258 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.773 44.580 23.373 1.00 0.00 C ATOM 0 H LEU A 43 47.854 40.582 24.189 1.00 0.00 H new ATOM 0 HA LEU A 43 47.921 43.094 25.722 1.00 0.00 H new ATOM 0 HB2 LEU A 43 45.689 41.895 24.076 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.680 43.449 24.887 1.00 0.00 H new ATOM 0 HG LEU A 43 47.416 42.636 22.570 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.059 44.386 21.353 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.032 43.077 21.986 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.105 44.639 22.835 1.00 0.00 H new ATOM 0 HD21 LEU A 43 48.110 45.006 22.428 1.00 0.00 H new ATOM 0 HD22 LEU A 43 47.237 45.339 23.943 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.635 44.238 23.945 1.00 0.00 H new ATOM 699 N ILE A 44 46.615 42.293 27.662 1.00 0.00 N ATOM 700 CA ILE A 44 46.098 41.841 28.938 1.00 0.00 C ATOM 701 C ILE A 44 44.782 42.552 29.269 1.00 0.00 C ATOM 702 O ILE A 44 44.706 43.771 29.144 1.00 0.00 O ATOM 703 CB ILE A 44 47.117 42.058 30.053 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.570 41.741 29.711 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.701 41.307 31.315 1.00 0.00 C ATOM 706 CD1 ILE A 44 48.876 40.308 29.288 1.00 0.00 C ATOM 0 H ILE A 44 46.888 43.276 27.680 1.00 0.00 H new ATOM 0 HA ILE A 44 45.905 40.771 28.861 1.00 0.00 H new ATOM 0 HB ILE A 44 47.102 43.136 30.217 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.884 42.408 28.908 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.184 41.978 30.580 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.440 41.474 32.098 1.00 0.00 H new ATOM 0 HG22 ILE A 44 45.729 41.669 31.650 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.636 40.241 31.099 1.00 0.00 H new ATOM 0 HD11 ILE A 44 49.940 40.212 29.072 1.00 0.00 H new ATOM 0 HD12 ILE A 44 48.606 39.625 30.094 1.00 0.00 H new ATOM 0 HD13 ILE A 44 48.301 40.062 28.395 1.00 0.00 H new ATOM 718 N PHE A 45 43.786 41.805 29.737 1.00 0.00 N ATOM 719 CA PHE A 45 42.559 42.320 30.311 1.00 0.00 C ATOM 720 C PHE A 45 42.098 41.507 31.521 1.00 0.00 C ATOM 721 O PHE A 45 42.106 40.278 31.486 1.00 0.00 O ATOM 722 CB PHE A 45 41.448 42.380 29.266 1.00 0.00 C ATOM 723 CG PHE A 45 40.124 42.869 29.804 1.00 0.00 C ATOM 724 CD1 PHE A 45 39.964 44.214 30.156 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.068 41.970 30.000 1.00 0.00 C ATOM 726 CE1 PHE A 45 38.750 44.658 30.694 1.00 0.00 C ATOM 727 CE2 PHE A 45 37.849 42.416 30.524 1.00 0.00 C ATOM 728 CZ PHE A 45 37.691 43.762 30.876 1.00 0.00 C ATOM 0 H PHE A 45 43.819 40.786 29.724 1.00 0.00 H new ATOM 0 HA PHE A 45 42.777 43.331 30.656 1.00 0.00 H new ATOM 0 HB2 PHE A 45 41.763 43.035 28.454 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.310 41.386 28.839 1.00 0.00 H new ATOM 0 HD1 PHE A 45 40.777 44.910 30.013 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.195 40.928 29.746 1.00 0.00 H new ATOM 0 HE1 PHE A 45 38.631 45.695 30.969 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.031 41.723 30.657 1.00 0.00 H new ATOM 0 HZ PHE A 45 36.754 44.108 31.287 1.00 0.00 H new ATOM 738 N ALA A 46 41.682 42.190 32.583 1.00 0.00 N ATOM 739 CA ALA A 46 41.294 41.612 33.854 1.00 0.00 C ATOM 740 C ALA A 46 42.302 40.595 34.390 1.00 0.00 C ATOM 741 O ALA A 46 41.940 39.549 34.925 1.00 0.00 O ATOM 742 CB ALA A 46 39.849 41.123 33.778 1.00 0.00 C ATOM 0 H ALA A 46 41.605 43.207 32.575 1.00 0.00 H new ATOM 0 HA ALA A 46 41.319 42.389 34.618 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.561 40.689 34.735 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.193 41.962 33.548 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.761 40.368 32.996 1.00 0.00 H new ATOM 748 N GLY A 47 43.589 40.889 34.217 1.00 0.00 N ATOM 749 CA GLY A 47 44.719 40.081 34.625 1.00 0.00 C ATOM 750 C GLY A 47 45.167 38.999 33.640 1.00 0.00 C ATOM 751 O GLY A 47 46.292 38.523 33.775 1.00 0.00 O ATOM 0 H GLY A 47 43.880 41.753 33.759 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.564 40.744 34.813 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.473 39.601 35.572 1.00 0.00 H new ATOM 755 N LYS A 48 44.365 38.625 32.646 1.00 0.00 N ATOM 756 CA LYS A 48 44.619 37.500 31.769 1.00 0.00 C ATOM 757 C LYS A 48 45.093 37.933 30.381 1.00 0.00 C ATOM 758 O LYS A 48 44.575 38.902 29.827 1.00 0.00 O ATOM 759 CB LYS A 48 43.368 36.628 31.718 1.00 0.00 C ATOM 760 CG LYS A 48 43.594 35.298 31.007 1.00 0.00 C ATOM 761 CD LYS A 48 42.425 34.330 31.164 1.00 0.00 C ATOM 762 CE LYS A 48 41.132 34.894 30.583 1.00 0.00 C ATOM 763 NZ LYS A 48 40.038 33.910 30.606 1.00 0.00 N ATOM 0 H LYS A 48 43.497 39.115 32.428 1.00 0.00 H new ATOM 0 HA LYS A 48 45.444 36.913 32.173 1.00 0.00 H new ATOM 0 HB2 LYS A 48 43.025 36.436 32.735 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.572 37.174 31.211 1.00 0.00 H new ATOM 0 HG2 LYS A 48 43.764 35.484 29.947 1.00 0.00 H new ATOM 0 HG3 LYS A 48 44.499 34.833 31.398 1.00 0.00 H new ATOM 0 HD2 LYS A 48 42.665 33.389 30.668 1.00 0.00 H new ATOM 0 HD3 LYS A 48 42.280 34.106 32.221 1.00 0.00 H new ATOM 0 HE2 LYS A 48 40.836 35.777 31.149 1.00 0.00 H new ATOM 0 HE3 LYS A 48 41.307 35.217 29.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 39.179 34.336 30.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 40.308 33.077 30.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 39.852 33.621 31.587 1.00 0.00 H new ATOM 777 N GLN A 49 46.041 37.206 29.797 1.00 0.00 N ATOM 778 CA GLN A 49 46.491 37.440 28.440 1.00 0.00 C ATOM 779 C GLN A 49 45.529 36.880 27.389 1.00 0.00 C ATOM 780 O GLN A 49 45.020 35.769 27.515 1.00 0.00 O ATOM 781 CB GLN A 49 47.933 36.988 28.228 1.00 0.00 C ATOM 782 CG GLN A 49 48.151 35.478 28.214 1.00 0.00 C ATOM 783 CD GLN A 49 49.617 35.123 27.958 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.431 35.023 28.874 1.00 0.00 O ATOM 785 NE2 GLN A 49 50.025 34.955 26.704 1.00 0.00 N ATOM 0 H GLN A 49 46.519 36.433 30.261 1.00 0.00 H new ATOM 0 HA GLN A 49 46.483 38.520 28.294 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.289 37.398 27.283 1.00 0.00 H new ATOM 0 HB3 GLN A 49 48.551 37.420 29.016 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.835 35.055 29.168 1.00 0.00 H new ATOM 0 HG3 GLN A 49 47.527 35.027 27.443 1.00 0.00 H new ATOM 0 HE21 GLN A 49 49.359 35.036 25.936 1.00 0.00 H new ATOM 0 HE22 GLN A 49 51.004 34.746 26.510 1.00 0.00 H new ATOM 794 N LEU A 50 45.287 37.662 26.341 1.00 0.00 N ATOM 795 CA LEU A 50 44.314 37.387 25.302 1.00 0.00 C ATOM 796 C LEU A 50 44.956 36.800 24.044 1.00 0.00 C ATOM 797 O LEU A 50 46.146 36.992 23.804 1.00 0.00 O ATOM 798 CB LEU A 50 43.541 38.664 24.984 1.00 0.00 C ATOM 799 CG LEU A 50 43.011 39.471 26.166 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.310 40.717 25.631 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.032 38.685 27.033 1.00 0.00 C ATOM 0 H LEU A 50 45.786 38.539 26.191 1.00 0.00 H new ATOM 0 HA LEU A 50 43.624 36.629 25.673 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.189 39.313 24.395 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.695 38.398 24.350 1.00 0.00 H new ATOM 0 HG LEU A 50 43.863 39.728 26.795 1.00 0.00 H new ATOM 0 HD11 LEU A 50 41.925 41.304 26.465 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.019 41.317 25.061 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.484 40.420 24.985 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.691 39.312 27.856 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.176 38.380 26.431 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.529 37.801 27.432 1.00 0.00 H new ATOM 813 N GLU A 51 44.172 36.116 23.214 1.00 0.00 N ATOM 814 CA GLU A 51 44.594 35.479 21.983 1.00 0.00 C ATOM 815 C GLU A 51 43.966 36.110 20.740 1.00 0.00 C ATOM 816 O GLU A 51 42.810 36.529 20.745 1.00 0.00 O ATOM 817 CB GLU A 51 44.272 33.987 22.024 1.00 0.00 C ATOM 818 CG GLU A 51 45.138 33.178 22.985 1.00 0.00 C ATOM 819 CD GLU A 51 46.627 33.206 22.634 1.00 0.00 C ATOM 820 OE1 GLU A 51 47.000 33.073 21.449 1.00 0.00 O ATOM 821 OE2 GLU A 51 47.455 33.359 23.558 1.00 0.00 O ATOM 0 H GLU A 51 43.177 35.989 23.397 1.00 0.00 H new ATOM 0 HA GLU A 51 45.671 35.626 21.908 1.00 0.00 H new ATOM 0 HB2 GLU A 51 43.226 33.862 22.304 1.00 0.00 H new ATOM 0 HB3 GLU A 51 44.384 33.576 21.021 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.004 33.564 23.996 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.793 32.144 22.990 1.00 0.00 H new ATOM 828 N ASP A 52 44.731 36.152 19.653 1.00 0.00 N ATOM 829 CA ASP A 52 44.484 36.926 18.452 1.00 0.00 C ATOM 830 C ASP A 52 43.167 36.632 17.730 1.00 0.00 C ATOM 831 O ASP A 52 42.594 37.546 17.142 1.00 0.00 O ATOM 832 CB ASP A 52 45.640 36.714 17.478 1.00 0.00 C ATOM 833 CG ASP A 52 47.021 36.924 18.101 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.660 37.968 17.845 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.500 36.026 18.826 1.00 0.00 O ATOM 0 H ASP A 52 45.593 35.610 19.589 1.00 0.00 H new ATOM 0 HA ASP A 52 44.404 37.960 18.789 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.583 35.702 17.077 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.524 37.398 16.637 1.00 0.00 H new ATOM 840 N GLY A 53 42.695 35.388 17.748 1.00 0.00 N ATOM 841 CA GLY A 53 41.547 34.937 16.989 1.00 0.00 C ATOM 842 C GLY A 53 40.178 35.250 17.597 1.00 0.00 C ATOM 843 O GLY A 53 39.177 35.111 16.899 1.00 0.00 O ATOM 0 H GLY A 53 43.118 34.649 18.310 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.593 35.385 15.997 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.625 33.858 16.855 1.00 0.00 H new ATOM 847 N ARG A 54 40.107 35.654 18.862 1.00 0.00 N ATOM 848 CA ARG A 54 38.874 35.995 19.544 1.00 0.00 C ATOM 849 C ARG A 54 38.600 37.501 19.530 1.00 0.00 C ATOM 850 O ARG A 54 39.512 38.294 19.306 1.00 0.00 O ATOM 851 CB ARG A 54 38.867 35.406 20.953 1.00 0.00 C ATOM 852 CG ARG A 54 38.127 34.075 21.042 1.00 0.00 C ATOM 853 CD ARG A 54 38.802 32.910 20.322 1.00 0.00 C ATOM 854 NE ARG A 54 40.036 32.489 20.984 1.00 0.00 N ATOM 855 CZ ARG A 54 41.113 31.951 20.398 1.00 0.00 C ATOM 856 NH1 ARG A 54 41.187 31.726 19.079 1.00 0.00 N ATOM 857 NH2 ARG A 54 42.175 31.587 21.131 1.00 0.00 N ATOM 0 H ARG A 54 40.932 35.754 19.453 1.00 0.00 H new ATOM 0 HA ARG A 54 38.047 35.545 18.995 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.895 35.266 21.287 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.404 36.118 21.636 1.00 0.00 H new ATOM 0 HG2 ARG A 54 38.008 33.813 22.093 1.00 0.00 H new ATOM 0 HG3 ARG A 54 37.126 34.205 20.631 1.00 0.00 H new ATOM 0 HD2 ARG A 54 38.113 32.067 20.273 1.00 0.00 H new ATOM 0 HD3 ARG A 54 39.024 33.200 19.295 1.00 0.00 H new ATOM 0 HE ARG A 54 40.081 32.618 21.995 1.00 0.00 H new ATOM 0 HH11 ARG A 54 40.401 31.967 18.476 1.00 0.00 H new ATOM 0 HH12 ARG A 54 42.030 31.314 18.678 1.00 0.00 H new ATOM 0 HH21 ARG A 54 42.166 31.719 22.142 1.00 0.00 H new ATOM 0 HH22 ARG A 54 42.992 31.178 20.677 1.00 0.00 H new ATOM 871 N THR A 55 37.346 37.880 19.758 1.00 0.00 N ATOM 872 CA THR A 55 36.856 39.244 19.762 1.00 0.00 C ATOM 873 C THR A 55 36.599 39.806 21.162 1.00 0.00 C ATOM 874 O THR A 55 36.574 39.062 22.139 1.00 0.00 O ATOM 875 CB THR A 55 35.600 39.403 18.911 1.00 0.00 C ATOM 876 OG1 THR A 55 34.528 38.663 19.451 1.00 0.00 O ATOM 877 CG2 THR A 55 35.791 38.953 17.466 1.00 0.00 C ATOM 0 H THR A 55 36.609 37.203 19.955 1.00 0.00 H new ATOM 0 HA THR A 55 37.666 39.826 19.323 1.00 0.00 H new ATOM 0 HB THR A 55 35.382 40.471 18.918 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.646 37.714 19.239 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.861 39.092 16.916 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.580 39.545 17.002 1.00 0.00 H new ATOM 0 HG23 THR A 55 36.070 37.899 17.447 1.00 0.00 H new ATOM 885 N LEU A 56 36.387 41.115 21.265 1.00 0.00 N ATOM 886 CA LEU A 56 36.055 41.766 22.517 1.00 0.00 C ATOM 887 C LEU A 56 34.837 41.132 23.190 1.00 0.00 C ATOM 888 O LEU A 56 34.869 40.915 24.399 1.00 0.00 O ATOM 889 CB LEU A 56 35.830 43.263 22.322 1.00 0.00 C ATOM 890 CG LEU A 56 37.082 44.135 22.317 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.899 43.990 21.037 1.00 0.00 C ATOM 892 CD2 LEU A 56 36.689 45.604 22.451 1.00 0.00 C ATOM 0 H LEU A 56 36.443 41.754 20.472 1.00 0.00 H new ATOM 0 HA LEU A 56 36.911 41.626 23.177 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.305 43.411 21.378 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.169 43.616 23.113 1.00 0.00 H new ATOM 0 HG LEU A 56 37.691 43.803 23.157 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.777 44.634 21.091 1.00 0.00 H new ATOM 0 HD12 LEU A 56 38.216 42.953 20.923 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.289 44.279 20.181 1.00 0.00 H new ATOM 0 HD21 LEU A 56 37.586 46.223 22.447 1.00 0.00 H new ATOM 0 HD22 LEU A 56 36.049 45.887 21.615 1.00 0.00 H new ATOM 0 HD23 LEU A 56 36.150 45.753 23.387 1.00 0.00 H new ATOM 904 N SER A 57 33.799 40.777 22.437 1.00 0.00 N ATOM 905 CA SER A 57 32.631 40.081 22.938 1.00 0.00 C ATOM 906 C SER A 57 32.908 38.661 23.437 1.00 0.00 C ATOM 907 O SER A 57 32.296 38.244 24.418 1.00 0.00 O ATOM 908 CB SER A 57 31.559 40.018 21.854 1.00 0.00 C ATOM 909 OG SER A 57 31.105 41.322 21.567 1.00 0.00 O ATOM 0 H SER A 57 33.752 40.973 21.437 1.00 0.00 H new ATOM 0 HA SER A 57 32.295 40.658 23.800 1.00 0.00 H new ATOM 0 HB2 SER A 57 31.964 39.556 20.954 1.00 0.00 H new ATOM 0 HB3 SER A 57 30.727 39.396 22.185 1.00 0.00 H new ATOM 0 HG SER A 57 31.830 41.838 21.157 1.00 0.00 H new ATOM 915 N ASP A 58 33.863 37.944 22.852 1.00 0.00 N ATOM 916 CA ASP A 58 34.252 36.622 23.297 1.00 0.00 C ATOM 917 C ASP A 58 34.957 36.627 24.655 1.00 0.00 C ATOM 918 O ASP A 58 35.037 35.584 25.301 1.00 0.00 O ATOM 919 CB ASP A 58 35.129 35.936 22.255 1.00 0.00 C ATOM 920 CG ASP A 58 34.470 35.802 20.881 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.301 35.369 20.799 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.137 36.131 19.876 1.00 0.00 O ATOM 0 H ASP A 58 34.392 38.275 22.045 1.00 0.00 H new ATOM 0 HA ASP A 58 33.327 36.060 23.421 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.057 36.498 22.149 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.397 34.943 22.617 1.00 0.00 H new ATOM 927 N TYR A 59 35.413 37.790 25.110 1.00 0.00 N ATOM 928 CA TYR A 59 35.974 38.041 26.422 1.00 0.00 C ATOM 929 C TYR A 59 35.114 38.926 27.326 1.00 0.00 C ATOM 930 O TYR A 59 35.419 39.026 28.512 1.00 0.00 O ATOM 931 CB TYR A 59 37.368 38.635 26.242 1.00 0.00 C ATOM 932 CG TYR A 59 38.412 37.692 25.691 1.00 0.00 C ATOM 933 CD1 TYR A 59 38.902 36.660 26.500 1.00 0.00 C ATOM 934 CD2 TYR A 59 38.944 37.888 24.411 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.942 35.839 26.049 1.00 0.00 C ATOM 936 CE2 TYR A 59 39.985 37.073 23.950 1.00 0.00 C ATOM 937 CZ TYR A 59 40.505 36.056 24.777 1.00 0.00 C ATOM 938 OH TYR A 59 41.568 35.313 24.355 1.00 0.00 O ATOM 0 H TYR A 59 35.397 38.630 24.532 1.00 0.00 H new ATOM 0 HA TYR A 59 36.017 37.084 26.943 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.294 39.495 25.577 1.00 0.00 H new ATOM 0 HB3 TYR A 59 37.713 39.007 27.207 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.475 36.496 27.478 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.551 38.669 23.778 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.312 35.041 26.675 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.390 37.223 22.960 1.00 0.00 H new ATOM 0 HH TYR A 59 41.382 34.954 23.462 1.00 0.00 H new ATOM 948 N ASN A 60 34.043 39.536 26.824 1.00 0.00 N ATOM 949 CA ASN A 60 33.273 40.587 27.459 1.00 0.00 C ATOM 950 C ASN A 60 34.092 41.805 27.890 1.00 0.00 C ATOM 951 O ASN A 60 33.989 42.288 29.016 1.00 0.00 O ATOM 952 CB ASN A 60 32.344 40.047 28.543 1.00 0.00 C ATOM 953 CG ASN A 60 31.199 39.204 27.981 1.00 0.00 C ATOM 954 OD1 ASN A 60 30.272 39.728 27.367 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.217 37.892 28.196 1.00 0.00 N ATOM 0 H ASN A 60 33.672 39.290 25.906 1.00 0.00 H new ATOM 0 HA ASN A 60 32.627 40.986 26.677 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.923 39.444 29.243 1.00 0.00 H new ATOM 0 HB3 ASN A 60 31.930 40.882 29.108 1.00 0.00 H new ATOM 0 HD21 ASN A 60 30.456 37.308 27.850 1.00 0.00 H new ATOM 0 HD22 ASN A 60 31.992 37.470 28.707 1.00 0.00 H new ATOM 962 N ILE A 61 34.898 42.346 26.981 1.00 0.00 N ATOM 963 CA ILE A 61 35.577 43.613 27.166 1.00 0.00 C ATOM 964 C ILE A 61 34.563 44.739 26.956 1.00 0.00 C ATOM 965 O ILE A 61 34.084 44.962 25.846 1.00 0.00 O ATOM 966 CB ILE A 61 36.795 43.706 26.251 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.819 42.641 26.633 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.429 45.092 26.322 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.942 42.424 25.622 1.00 0.00 C ATOM 0 H ILE A 61 35.097 41.905 26.083 1.00 0.00 H new ATOM 0 HA ILE A 61 35.968 43.704 28.180 1.00 0.00 H new ATOM 0 HB ILE A 61 36.465 43.535 25.226 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.262 42.914 27.591 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.297 41.695 26.781 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.295 45.131 25.661 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.701 45.841 26.011 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.745 45.296 27.345 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.615 41.648 25.987 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.517 42.116 24.667 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.497 43.353 25.489 1.00 0.00 H new ATOM 981 N GLN A 62 34.191 45.421 28.035 1.00 0.00 N ATOM 982 CA GLN A 62 33.213 46.490 28.029 1.00 0.00 C ATOM 983 C GLN A 62 33.782 47.818 27.527 1.00 0.00 C ATOM 984 O GLN A 62 34.991 48.033 27.572 1.00 0.00 O ATOM 985 CB GLN A 62 32.557 46.598 29.403 1.00 0.00 C ATOM 986 CG GLN A 62 33.498 46.975 30.545 1.00 0.00 C ATOM 987 CD GLN A 62 32.768 47.037 31.888 1.00 0.00 C ATOM 988 OE1 GLN A 62 32.466 48.107 32.412 1.00 0.00 O ATOM 989 NE2 GLN A 62 32.460 45.891 32.491 1.00 0.00 N ATOM 0 H GLN A 62 34.576 45.236 28.961 1.00 0.00 H new ATOM 0 HA GLN A 62 32.438 46.237 27.306 1.00 0.00 H new ATOM 0 HB2 GLN A 62 31.760 47.340 29.350 1.00 0.00 H new ATOM 0 HB3 GLN A 62 32.088 45.643 29.640 1.00 0.00 H new ATOM 0 HG2 GLN A 62 34.307 46.247 30.605 1.00 0.00 H new ATOM 0 HG3 GLN A 62 33.955 47.942 30.335 1.00 0.00 H new ATOM 0 HE21 GLN A 62 32.710 45.003 32.057 1.00 0.00 H new ATOM 0 HE22 GLN A 62 31.974 45.901 33.387 1.00 0.00 H new ATOM 998 N LYS A 63 32.922 48.736 27.096 1.00 0.00 N ATOM 999 CA LYS A 63 33.294 50.080 26.700 1.00 0.00 C ATOM 1000 C LYS A 63 34.013 50.842 27.815 1.00 0.00 C ATOM 1001 O LYS A 63 33.773 50.608 28.997 1.00 0.00 O ATOM 1002 CB LYS A 63 32.084 50.838 26.161 1.00 0.00 C ATOM 1003 CG LYS A 63 30.993 51.102 27.195 1.00 0.00 C ATOM 1004 CD LYS A 63 29.837 51.899 26.598 1.00 0.00 C ATOM 1005 CE LYS A 63 28.762 52.258 27.620 1.00 0.00 C ATOM 1006 NZ LYS A 63 28.057 51.081 28.151 1.00 0.00 N ATOM 0 H LYS A 63 31.922 48.555 27.012 1.00 0.00 H new ATOM 0 HA LYS A 63 34.018 49.996 25.890 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.420 51.792 25.754 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.655 50.272 25.334 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.621 50.154 27.582 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.415 51.648 28.039 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.227 52.815 26.154 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.384 51.322 25.792 1.00 0.00 H new ATOM 0 HE2 LYS A 63 29.221 52.803 28.445 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.039 52.930 27.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 27.340 51.387 28.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 27.593 50.573 27.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 28.739 50.450 28.619 1.00 0.00 H new ATOM 1020 N GLU A 64 34.910 51.744 27.427 1.00 0.00 N ATOM 1021 CA GLU A 64 35.823 52.452 28.302 1.00 0.00 C ATOM 1022 C GLU A 64 36.565 51.526 29.269 1.00 0.00 C ATOM 1023 O GLU A 64 36.528 51.690 30.487 1.00 0.00 O ATOM 1024 CB GLU A 64 35.172 53.664 28.960 1.00 0.00 C ATOM 1025 CG GLU A 64 34.839 54.770 27.962 1.00 0.00 C ATOM 1026 CD GLU A 64 34.368 56.079 28.598 1.00 0.00 C ATOM 1027 OE1 GLU A 64 33.796 56.910 27.860 1.00 0.00 O ATOM 1028 OE2 GLU A 64 34.584 56.313 29.806 1.00 0.00 O ATOM 0 H GLU A 64 35.021 52.009 26.448 1.00 0.00 H new ATOM 0 HA GLU A 64 36.610 52.863 27.670 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.259 53.350 29.466 1.00 0.00 H new ATOM 0 HB3 GLU A 64 35.841 54.060 29.725 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.722 54.973 27.356 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.064 54.410 27.286 1.00 0.00 H new ATOM 1035 N SER A 65 37.250 50.529 28.716 1.00 0.00 N ATOM 1036 CA SER A 65 38.188 49.669 29.407 1.00 0.00 C ATOM 1037 C SER A 65 39.632 49.996 29.022 1.00 0.00 C ATOM 1038 O SER A 65 39.882 50.426 27.899 1.00 0.00 O ATOM 1039 CB SER A 65 37.914 48.196 29.120 1.00 0.00 C ATOM 1040 OG SER A 65 36.643 47.831 29.608 1.00 0.00 O ATOM 0 H SER A 65 37.157 50.293 27.728 1.00 0.00 H new ATOM 0 HA SER A 65 38.053 49.853 30.473 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.966 48.012 28.047 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.681 47.579 29.587 1.00 0.00 H new ATOM 0 HG SER A 65 36.032 47.689 28.855 1.00 0.00 H new ATOM 1046 N THR A 66 40.574 49.742 29.926 1.00 0.00 N ATOM 1047 CA THR A 66 41.995 49.826 29.654 1.00 0.00 C ATOM 1048 C THR A 66 42.576 48.425 29.445 1.00 0.00 C ATOM 1049 O THR A 66 42.438 47.558 30.304 1.00 0.00 O ATOM 1050 CB THR A 66 42.743 50.578 30.751 1.00 0.00 C ATOM 1051 OG1 THR A 66 42.250 51.894 30.851 1.00 0.00 O ATOM 1052 CG2 THR A 66 44.236 50.718 30.468 1.00 0.00 C ATOM 0 H THR A 66 40.361 49.467 30.885 1.00 0.00 H new ATOM 0 HA THR A 66 42.127 50.399 28.736 1.00 0.00 H new ATOM 0 HB THR A 66 42.592 49.996 31.660 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.733 52.371 31.558 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.712 51.262 31.284 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.684 49.728 30.381 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.380 51.264 29.536 1.00 0.00 H new ATOM 1060 N LEU A 67 43.251 48.225 28.317 1.00 0.00 N ATOM 1061 CA LEU A 67 44.103 47.087 28.035 1.00 0.00 C ATOM 1062 C LEU A 67 45.553 47.440 28.374 1.00 0.00 C ATOM 1063 O LEU A 67 45.955 48.594 28.240 1.00 0.00 O ATOM 1064 CB LEU A 67 43.986 46.694 26.566 1.00 0.00 C ATOM 1065 CG LEU A 67 42.578 46.413 26.046 1.00 0.00 C ATOM 1066 CD1 LEU A 67 42.638 46.041 24.568 1.00 0.00 C ATOM 1067 CD2 LEU A 67 41.894 45.270 26.791 1.00 0.00 C ATOM 0 H LEU A 67 43.213 48.887 27.542 1.00 0.00 H new ATOM 0 HA LEU A 67 43.787 46.241 28.645 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.419 47.493 25.964 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.594 45.805 26.401 1.00 0.00 H new ATOM 0 HG LEU A 67 42.000 47.324 26.204 1.00 0.00 H new ATOM 0 HD11 LEU A 67 41.631 45.841 24.202 1.00 0.00 H new ATOM 0 HD12 LEU A 67 43.073 46.865 24.003 1.00 0.00 H new ATOM 0 HD13 LEU A 67 43.253 45.150 24.442 1.00 0.00 H new ATOM 0 HD21 LEU A 67 40.896 45.114 26.380 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.481 44.358 26.677 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.816 45.521 27.849 1.00 0.00 H new ATOM 1079 N HIS A 68 46.362 46.452 28.748 1.00 0.00 N ATOM 1080 CA HIS A 68 47.786 46.636 28.946 1.00 0.00 C ATOM 1081 C HIS A 68 48.573 45.866 27.884 1.00 0.00 C ATOM 1082 O HIS A 68 48.277 44.703 27.621 1.00 0.00 O ATOM 1083 CB HIS A 68 48.184 46.270 30.373 1.00 0.00 C ATOM 1084 CG HIS A 68 47.437 47.062 31.411 1.00 0.00 C ATOM 1085 ND1 HIS A 68 47.861 48.258 31.988 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.184 46.767 31.883 1.00 0.00 C ATOM 1087 CE1 HIS A 68 46.872 48.650 32.793 1.00 0.00 C ATOM 1088 NE2 HIS A 68 45.844 47.787 32.750 1.00 0.00 N ATOM 0 H HIS A 68 46.041 45.499 28.921 1.00 0.00 H new ATOM 0 HA HIS A 68 48.037 47.689 28.820 1.00 0.00 H new ATOM 0 HB2 HIS A 68 48.003 45.207 30.534 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.254 46.433 30.499 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.582 45.907 31.627 1.00 0.00 H new ATOM 0 HE1 HIS A 68 46.895 49.543 33.399 1.00 0.00 H new ATOM 0 HE2 HIS A 68 44.968 47.870 33.266 1.00 0.00 H new ATOM 1096 N LEU A 69 49.559 46.518 27.273 1.00 0.00 N ATOM 1097 CA LEU A 69 50.451 45.918 26.303 1.00 0.00 C ATOM 1098 C LEU A 69 51.709 45.392 26.998 1.00 0.00 C ATOM 1099 O LEU A 69 52.367 46.127 27.732 1.00 0.00 O ATOM 1100 CB LEU A 69 50.766 46.956 25.229 1.00 0.00 C ATOM 1101 CG LEU A 69 51.859 46.567 24.236 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.506 45.340 23.401 1.00 0.00 C ATOM 1103 CD2 LEU A 69 52.117 47.720 23.269 1.00 0.00 C ATOM 0 H LEU A 69 49.759 47.503 27.448 1.00 0.00 H new ATOM 0 HA LEU A 69 49.980 45.060 25.823 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.852 47.166 24.673 1.00 0.00 H new ATOM 0 HB3 LEU A 69 51.060 47.883 25.720 1.00 0.00 H new ATOM 0 HG LEU A 69 52.739 46.334 24.836 1.00 0.00 H new ATOM 0 HD11 LEU A 69 52.325 45.118 22.716 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.342 44.487 24.059 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.599 45.537 22.830 1.00 0.00 H new ATOM 0 HD21 LEU A 69 52.898 47.435 22.564 1.00 0.00 H new ATOM 0 HD22 LEU A 69 51.201 47.949 22.724 1.00 0.00 H new ATOM 0 HD23 LEU A 69 52.436 48.599 23.828 1.00 0.00 H new ATOM 1115 N VAL A 70 52.079 44.147 26.712 1.00 0.00 N ATOM 1116 CA VAL A 70 53.319 43.530 27.138 1.00 0.00 C ATOM 1117 C VAL A 70 54.093 43.067 25.901 1.00 0.00 C ATOM 1118 O VAL A 70 53.504 42.540 24.960 1.00 0.00 O ATOM 1119 CB VAL A 70 53.062 42.374 28.101 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.363 41.781 28.634 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.230 42.799 29.307 1.00 0.00 C ATOM 0 H VAL A 70 51.497 43.521 26.155 1.00 0.00 H new ATOM 0 HA VAL A 70 53.917 44.261 27.681 1.00 0.00 H new ATOM 0 HB VAL A 70 52.517 41.632 27.518 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.137 40.961 29.316 1.00 0.00 H new ATOM 0 HG12 VAL A 70 54.960 41.407 27.802 1.00 0.00 H new ATOM 0 HG13 VAL A 70 54.923 42.551 29.165 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.074 41.942 29.962 1.00 0.00 H new ATOM 0 HG22 VAL A 70 52.755 43.583 29.853 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.265 43.177 28.969 1.00 0.00 H new