USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 629 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= 0.774 K(o=1.7,f=-0.33) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.891 K(o=1.7,f=-0.33) USER MOD Set 2.1: A 6 LYS NZ :NH3+ 141:sc= 1.02 (180deg=0.134) USER MOD Set 2.2: A 12 THR OG1 : rot 180:sc= 0.56 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 156:sc= 1.1 (180deg=0.761) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0265 USER MOD Single : A 11 LYS NZ :NH3+ -123:sc= 0.757 (180deg=0.166) 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 22 THR OG1 : rot 180:sc= 0.00431 USER MOD Single : A 25 ASN : amide:sc= -0.0528 X(o=-0.053,f=-0.33) USER MOD Single : A 27 LYS NZ :NH3+ -167:sc= 1.76 (180deg=1.69) USER MOD Single : A 29 LYS NZ :NH3+ 178:sc= 2.28 (180deg=2.24) USER MOD Single : A 31 GLN : amide:sc= -0.256 K(o=-0.26,f=-1) USER MOD Single : A 33 LYS NZ :NH3+ 177:sc= 1.16 (180deg=1.15) USER MOD Single : A 40 GLN : amide:sc= 1.5 K(o=1.5,f=-5.2!) USER MOD Single : A 41 GLN : amide:sc= 1.21 K(o=1.2,f=-2) USER MOD Single : A 48 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.1) USER MOD Single : A 49 GLN : amide:sc= 0.202 K(o=0.2,f=-2.1!) USER MOD Single : A 55 THR OG1 : rot -56:sc= 1.26 USER MOD Single : A 57 SER OG : rot 58:sc= 1.24 USER MOD Single : A 59 TYR OH : rot 30:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0145) USER MOD Single : A 65 SER OG : rot 82:sc= 1.16 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=-0.043) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.404 51.630 20.095 1.00 0.00 N ATOM 2 CA MET A 1 32.792 52.095 21.436 1.00 0.00 C ATOM 3 C MET A 1 34.301 52.340 21.498 1.00 0.00 C ATOM 4 O MET A 1 35.037 51.800 20.674 1.00 0.00 O ATOM 5 CB MET A 1 32.252 51.186 22.535 1.00 0.00 C ATOM 6 CG MET A 1 32.737 49.738 22.528 1.00 0.00 C ATOM 7 SD MET A 1 34.382 49.493 23.243 1.00 0.00 S ATOM 8 CE MET A 1 34.363 47.693 23.430 1.00 0.00 C ATOM 0 H1 MET A 1 31.515 51.095 20.157 1.00 0.00 H new ATOM 0 H2 MET A 1 32.272 52.449 19.468 1.00 0.00 H new ATOM 0 H3 MET A 1 33.151 51.017 19.711 1.00 0.00 H new ATOM 0 HA MET A 1 32.320 53.058 21.628 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.510 51.626 23.498 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.164 51.181 22.468 1.00 0.00 H new ATOM 0 HG2 MET A 1 32.021 49.126 23.077 1.00 0.00 H new ATOM 0 HG3 MET A 1 32.744 49.376 21.500 1.00 0.00 H new ATOM 0 HE1 MET A 1 35.308 47.362 23.861 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.543 47.404 24.087 1.00 0.00 H new ATOM 0 HE3 MET A 1 34.227 47.227 22.454 1.00 0.00 H new ATOM 20 N GLN A 2 34.760 53.162 22.437 1.00 0.00 N ATOM 21 CA GLN A 2 36.161 53.495 22.592 1.00 0.00 C ATOM 22 C GLN A 2 36.819 52.649 23.684 1.00 0.00 C ATOM 23 O GLN A 2 36.152 52.231 24.628 1.00 0.00 O ATOM 24 CB GLN A 2 36.293 55.000 22.808 1.00 0.00 C ATOM 25 CG GLN A 2 37.694 55.528 22.515 1.00 0.00 C ATOM 26 CD GLN A 2 37.750 57.057 22.482 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.618 57.699 21.442 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.970 57.707 23.620 1.00 0.00 N ATOM 0 H GLN A 2 34.155 53.619 23.119 1.00 0.00 H new ATOM 0 HA GLN A 2 36.709 53.248 21.683 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.576 55.516 22.170 1.00 0.00 H new ATOM 0 HB3 GLN A 2 36.031 55.237 23.839 1.00 0.00 H new ATOM 0 HG2 GLN A 2 38.384 55.159 23.274 1.00 0.00 H new ATOM 0 HG3 GLN A 2 38.034 55.135 21.557 1.00 0.00 H new ATOM 0 HE21 GLN A 2 38.081 57.188 24.491 1.00 0.00 H new ATOM 0 HE22 GLN A 2 38.027 58.725 23.623 1.00 0.00 H new ATOM 37 N ILE A 3 38.122 52.402 23.577 1.00 0.00 N ATOM 38 CA ILE A 3 38.954 51.730 24.554 1.00 0.00 C ATOM 39 C ILE A 3 40.295 52.445 24.729 1.00 0.00 C ATOM 40 O ILE A 3 40.742 53.167 23.840 1.00 0.00 O ATOM 41 CB ILE A 3 39.187 50.264 24.201 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.816 50.064 22.826 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.895 49.465 24.349 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.349 48.655 22.582 1.00 0.00 C ATOM 0 H ILE A 3 38.651 52.686 22.753 1.00 0.00 H new ATOM 0 HA ILE A 3 38.411 51.765 25.498 1.00 0.00 H new ATOM 0 HB ILE A 3 39.918 49.883 24.915 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.074 50.297 22.062 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.633 50.776 22.705 1.00 0.00 H new ATOM 0 HG21 ILE A 3 38.081 48.422 24.093 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.544 49.529 25.379 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.136 49.873 23.681 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.780 48.597 21.582 1.00 0.00 H new ATOM 0 HD12 ILE A 3 41.116 48.423 23.321 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.533 47.937 22.668 1.00 0.00 H new ATOM 56 N PHE A 4 40.966 52.194 25.849 1.00 0.00 N ATOM 57 CA PHE A 4 42.328 52.624 26.092 1.00 0.00 C ATOM 58 C PHE A 4 43.306 51.449 26.022 1.00 0.00 C ATOM 59 O PHE A 4 42.970 50.335 26.418 1.00 0.00 O ATOM 60 CB PHE A 4 42.449 53.302 27.454 1.00 0.00 C ATOM 61 CG PHE A 4 41.436 54.373 27.782 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.670 55.701 27.407 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.303 54.059 28.542 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.782 56.710 27.797 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.423 55.069 28.952 1.00 0.00 C ATOM 66 CZ PHE A 4 39.671 56.399 28.591 1.00 0.00 C ATOM 0 H PHE A 4 40.563 51.673 26.628 1.00 0.00 H new ATOM 0 HA PHE A 4 42.583 53.339 25.310 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.387 52.531 28.222 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.443 53.744 27.525 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.539 55.948 26.815 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.106 53.032 28.814 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.954 57.730 27.485 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.555 54.822 29.545 1.00 0.00 H new ATOM 0 HZ PHE A 4 39.007 57.183 28.924 1.00 0.00 H new ATOM 76 N VAL A 5 44.543 51.703 25.606 1.00 0.00 N ATOM 77 CA VAL A 5 45.661 50.787 25.714 1.00 0.00 C ATOM 78 C VAL A 5 46.830 51.500 26.396 1.00 0.00 C ATOM 79 O VAL A 5 47.103 52.657 26.082 1.00 0.00 O ATOM 80 CB VAL A 5 46.066 50.206 24.363 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.080 49.078 24.532 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.889 49.649 23.567 1.00 0.00 C ATOM 0 H VAL A 5 44.798 52.588 25.168 1.00 0.00 H new ATOM 0 HA VAL A 5 45.355 49.937 26.324 1.00 0.00 H new ATOM 0 HB VAL A 5 46.497 51.043 23.813 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.351 48.683 23.553 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.972 49.462 25.028 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.643 48.283 25.136 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.247 49.252 22.617 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.410 48.852 24.136 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.168 50.445 23.379 1.00 0.00 H new ATOM 92 N LYS A 6 47.496 50.851 27.346 1.00 0.00 N ATOM 93 CA LYS A 6 48.507 51.451 28.193 1.00 0.00 C ATOM 94 C LYS A 6 49.730 50.554 28.394 1.00 0.00 C ATOM 95 O LYS A 6 49.579 49.362 28.652 1.00 0.00 O ATOM 96 CB LYS A 6 47.841 51.832 29.512 1.00 0.00 C ATOM 97 CG LYS A 6 48.689 52.767 30.370 1.00 0.00 C ATOM 98 CD LYS A 6 47.880 53.284 31.555 1.00 0.00 C ATOM 99 CE LYS A 6 48.687 54.191 32.479 1.00 0.00 C ATOM 100 NZ LYS A 6 49.166 55.406 31.800 1.00 0.00 N ATOM 0 H LYS A 6 47.338 49.864 27.549 1.00 0.00 H new ATOM 0 HA LYS A 6 48.904 52.341 27.705 1.00 0.00 H new ATOM 0 HB2 LYS A 6 46.884 52.310 29.303 1.00 0.00 H new ATOM 0 HB3 LYS A 6 47.627 50.925 30.078 1.00 0.00 H new ATOM 0 HG2 LYS A 6 49.573 52.240 30.728 1.00 0.00 H new ATOM 0 HG3 LYS A 6 49.039 53.605 29.768 1.00 0.00 H new ATOM 0 HD2 LYS A 6 47.013 53.831 31.185 1.00 0.00 H new ATOM 0 HD3 LYS A 6 47.502 52.437 32.127 1.00 0.00 H new ATOM 0 HE2 LYS A 6 48.071 54.475 33.333 1.00 0.00 H new ATOM 0 HE3 LYS A 6 49.540 53.638 32.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 49.095 56.217 32.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 50.158 55.276 31.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 48.584 55.585 30.957 1.00 0.00 H new ATOM 114 N THR A 7 50.933 51.118 28.324 1.00 0.00 N ATOM 115 CA THR A 7 52.188 50.444 28.587 1.00 0.00 C ATOM 116 C THR A 7 52.695 50.714 30.004 1.00 0.00 C ATOM 117 O THR A 7 52.526 51.806 30.544 1.00 0.00 O ATOM 118 CB THR A 7 53.257 50.784 27.553 1.00 0.00 C ATOM 119 OG1 THR A 7 53.478 52.177 27.522 1.00 0.00 O ATOM 120 CG2 THR A 7 52.861 50.347 26.146 1.00 0.00 C ATOM 0 H THR A 7 51.058 52.098 28.071 1.00 0.00 H new ATOM 0 HA THR A 7 51.983 49.377 28.504 1.00 0.00 H new ATOM 0 HB THR A 7 54.158 50.248 27.852 1.00 0.00 H new ATOM 0 HG1 THR A 7 54.167 52.384 26.856 1.00 0.00 H new ATOM 0 HG21 THR A 7 53.654 50.611 25.446 1.00 0.00 H new ATOM 0 HG22 THR A 7 52.707 49.268 26.130 1.00 0.00 H new ATOM 0 HG23 THR A 7 51.938 50.849 25.855 1.00 0.00 H new ATOM 128 N LEU A 8 53.327 49.718 30.619 1.00 0.00 N ATOM 129 CA LEU A 8 53.674 49.696 32.025 1.00 0.00 C ATOM 130 C LEU A 8 54.581 50.847 32.467 1.00 0.00 C ATOM 131 O LEU A 8 54.488 51.291 33.609 1.00 0.00 O ATOM 132 CB LEU A 8 54.325 48.354 32.351 1.00 0.00 C ATOM 133 CG LEU A 8 53.434 47.124 32.203 1.00 0.00 C ATOM 134 CD1 LEU A 8 54.281 45.860 32.333 1.00 0.00 C ATOM 135 CD2 LEU A 8 52.347 47.066 33.272 1.00 0.00 C ATOM 0 H LEU A 8 53.620 48.874 30.127 1.00 0.00 H new ATOM 0 HA LEU A 8 52.747 49.829 32.582 1.00 0.00 H new ATOM 0 HB2 LEU A 8 55.194 48.228 31.705 1.00 0.00 H new ATOM 0 HB3 LEU A 8 54.692 48.391 33.377 1.00 0.00 H new ATOM 0 HG LEU A 8 52.961 47.190 31.223 1.00 0.00 H new ATOM 0 HD11 LEU A 8 53.643 44.982 32.227 1.00 0.00 H new ATOM 0 HD12 LEU A 8 55.043 45.851 31.554 1.00 0.00 H new ATOM 0 HD13 LEU A 8 54.762 45.843 33.311 1.00 0.00 H new ATOM 0 HD21 LEU A 8 51.739 46.173 33.125 1.00 0.00 H new ATOM 0 HD22 LEU A 8 52.809 47.032 34.259 1.00 0.00 H new ATOM 0 HD23 LEU A 8 51.716 47.951 33.197 1.00 0.00 H new ATOM 147 N THR A 9 55.416 51.364 31.571 1.00 0.00 N ATOM 148 CA THR A 9 56.298 52.493 31.783 1.00 0.00 C ATOM 149 C THR A 9 55.641 53.867 31.642 1.00 0.00 C ATOM 150 O THR A 9 56.226 54.841 32.112 1.00 0.00 O ATOM 151 CB THR A 9 57.521 52.422 30.873 1.00 0.00 C ATOM 152 OG1 THR A 9 57.134 52.143 29.546 1.00 0.00 O ATOM 153 CG2 THR A 9 58.523 51.362 31.323 1.00 0.00 C ATOM 0 H THR A 9 55.495 50.982 30.629 1.00 0.00 H new ATOM 0 HA THR A 9 56.595 52.403 32.828 1.00 0.00 H new ATOM 0 HB THR A 9 58.005 53.397 30.931 1.00 0.00 H new ATOM 0 HG1 THR A 9 57.929 52.102 28.975 1.00 0.00 H new ATOM 0 HG21 THR A 9 59.374 51.353 30.642 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.868 51.592 32.331 1.00 0.00 H new ATOM 0 HG23 THR A 9 58.044 50.383 31.318 1.00 0.00 H new ATOM 161 N GLY A 10 54.450 53.985 31.061 1.00 0.00 N ATOM 162 CA GLY A 10 53.631 55.174 31.185 1.00 0.00 C ATOM 163 C GLY A 10 52.667 55.503 30.044 1.00 0.00 C ATOM 164 O GLY A 10 51.616 56.078 30.314 1.00 0.00 O ATOM 0 H GLY A 10 54.030 53.252 30.490 1.00 0.00 H new ATOM 0 HA2 GLY A 10 53.046 55.083 32.100 1.00 0.00 H new ATOM 0 HA3 GLY A 10 54.297 56.027 31.316 1.00 0.00 H new ATOM 168 N LYS A 11 53.001 55.189 28.795 1.00 0.00 N ATOM 169 CA LYS A 11 52.298 55.691 27.631 1.00 0.00 C ATOM 170 C LYS A 11 50.858 55.179 27.544 1.00 0.00 C ATOM 171 O LYS A 11 50.625 53.989 27.743 1.00 0.00 O ATOM 172 CB LYS A 11 53.093 55.372 26.368 1.00 0.00 C ATOM 173 CG LYS A 11 52.635 56.199 25.171 1.00 0.00 C ATOM 174 CD LYS A 11 53.461 55.890 23.926 1.00 0.00 C ATOM 175 CE LYS A 11 53.038 56.815 22.789 1.00 0.00 C ATOM 176 NZ LYS A 11 53.779 56.524 21.552 1.00 0.00 N ATOM 0 H LYS A 11 53.779 54.570 28.566 1.00 0.00 H new ATOM 0 HA LYS A 11 52.219 56.774 27.730 1.00 0.00 H new ATOM 0 HB2 LYS A 11 54.151 55.557 26.551 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.991 54.312 26.135 1.00 0.00 H new ATOM 0 HG2 LYS A 11 51.583 55.997 24.970 1.00 0.00 H new ATOM 0 HG3 LYS A 11 52.716 57.260 25.408 1.00 0.00 H new ATOM 0 HD2 LYS A 11 54.522 56.021 24.139 1.00 0.00 H new ATOM 0 HD3 LYS A 11 53.321 54.849 23.633 1.00 0.00 H new ATOM 0 HE2 LYS A 11 51.969 56.705 22.608 1.00 0.00 H new ATOM 0 HE3 LYS A 11 53.207 57.852 23.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 54.270 57.383 21.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 54.476 55.774 21.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 53.115 56.209 20.816 1.00 0.00 H new ATOM 190 N THR A 12 49.917 56.046 27.179 1.00 0.00 N ATOM 191 CA THR A 12 48.524 55.717 26.958 1.00 0.00 C ATOM 192 C THR A 12 48.095 56.096 25.539 1.00 0.00 C ATOM 193 O THR A 12 48.507 57.137 25.032 1.00 0.00 O ATOM 194 CB THR A 12 47.594 56.406 27.952 1.00 0.00 C ATOM 195 OG1 THR A 12 48.104 56.463 29.266 1.00 0.00 O ATOM 196 CG2 THR A 12 46.247 55.696 28.052 1.00 0.00 C ATOM 0 H THR A 12 50.119 57.034 27.025 1.00 0.00 H new ATOM 0 HA THR A 12 48.440 54.640 27.101 1.00 0.00 H new ATOM 0 HB THR A 12 47.492 57.416 27.554 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.459 56.917 29.848 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.613 56.217 28.770 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.763 55.694 27.075 1.00 0.00 H new ATOM 0 HG23 THR A 12 46.401 54.669 28.383 1.00 0.00 H new ATOM 204 N ILE A 13 47.250 55.287 24.907 1.00 0.00 N ATOM 205 CA ILE A 13 46.635 55.545 23.620 1.00 0.00 C ATOM 206 C ILE A 13 45.152 55.172 23.635 1.00 0.00 C ATOM 207 O ILE A 13 44.749 54.284 24.383 1.00 0.00 O ATOM 208 CB ILE A 13 47.383 54.851 22.486 1.00 0.00 C ATOM 209 CG1 ILE A 13 47.428 53.334 22.637 1.00 0.00 C ATOM 210 CG2 ILE A 13 48.777 55.449 22.315 1.00 0.00 C ATOM 211 CD1 ILE A 13 48.158 52.582 21.528 1.00 0.00 C ATOM 0 H ILE A 13 46.965 54.391 25.303 1.00 0.00 H new ATOM 0 HA ILE A 13 46.702 56.616 23.431 1.00 0.00 H new ATOM 0 HB ILE A 13 46.817 55.036 21.573 1.00 0.00 H new ATOM 0 HG12 ILE A 13 47.905 53.096 23.588 1.00 0.00 H new ATOM 0 HG13 ILE A 13 46.405 52.962 22.691 1.00 0.00 H new ATOM 0 HG21 ILE A 13 49.294 54.940 21.501 1.00 0.00 H new ATOM 0 HG22 ILE A 13 48.692 56.511 22.083 1.00 0.00 H new ATOM 0 HG23 ILE A 13 49.342 55.324 23.238 1.00 0.00 H new ATOM 0 HD11 ILE A 13 48.130 51.512 21.734 1.00 0.00 H new ATOM 0 HD12 ILE A 13 47.672 52.780 20.573 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.195 52.916 21.483 1.00 0.00 H new ATOM 223 N THR A 14 44.342 55.798 22.785 1.00 0.00 N ATOM 224 CA THR A 14 42.958 55.436 22.554 1.00 0.00 C ATOM 225 C THR A 14 42.760 54.733 21.210 1.00 0.00 C ATOM 226 O THR A 14 43.452 55.050 20.245 1.00 0.00 O ATOM 227 CB THR A 14 42.006 56.625 22.636 1.00 0.00 C ATOM 228 OG1 THR A 14 42.512 57.758 21.967 1.00 0.00 O ATOM 229 CG2 THR A 14 41.707 57.020 24.080 1.00 0.00 C ATOM 0 H THR A 14 44.646 56.594 22.224 1.00 0.00 H new ATOM 0 HA THR A 14 42.714 54.745 23.361 1.00 0.00 H new ATOM 0 HB THR A 14 41.088 56.295 22.149 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.871 58.496 22.042 1.00 0.00 H new ATOM 0 HG21 THR A 14 41.025 57.871 24.091 1.00 0.00 H new ATOM 0 HG22 THR A 14 41.247 56.179 24.599 1.00 0.00 H new ATOM 0 HG23 THR A 14 42.635 57.292 24.582 1.00 0.00 H new ATOM 237 N LEU A 15 41.807 53.808 21.143 1.00 0.00 N ATOM 238 CA LEU A 15 41.331 53.186 19.924 1.00 0.00 C ATOM 239 C LEU A 15 39.811 53.023 19.936 1.00 0.00 C ATOM 240 O LEU A 15 39.197 52.920 20.997 1.00 0.00 O ATOM 241 CB LEU A 15 42.001 51.829 19.719 1.00 0.00 C ATOM 242 CG LEU A 15 43.466 51.884 19.299 1.00 0.00 C ATOM 243 CD1 LEU A 15 44.016 50.463 19.206 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.647 52.553 17.939 1.00 0.00 C ATOM 0 H LEU A 15 41.329 53.461 21.975 1.00 0.00 H new ATOM 0 HA LEU A 15 41.594 53.842 19.095 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.927 51.261 20.647 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.443 51.277 18.962 1.00 0.00 H new ATOM 0 HG LEU A 15 43.999 52.469 20.048 1.00 0.00 H new ATOM 0 HD11 LEU A 15 45.063 50.497 18.906 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.933 49.976 20.178 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.445 49.900 18.468 1.00 0.00 H new ATOM 0 HD21 LEU A 15 44.706 52.570 17.680 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.097 51.993 17.182 1.00 0.00 H new ATOM 0 HD23 LEU A 15 43.267 53.574 17.982 1.00 0.00 H new ATOM 256 N GLU A 16 39.204 52.966 18.753 1.00 0.00 N ATOM 257 CA GLU A 16 37.779 52.788 18.566 1.00 0.00 C ATOM 258 C GLU A 16 37.475 51.460 17.870 1.00 0.00 C ATOM 259 O GLU A 16 38.114 51.085 16.889 1.00 0.00 O ATOM 260 CB GLU A 16 37.183 53.991 17.841 1.00 0.00 C ATOM 261 CG GLU A 16 37.321 55.282 18.643 1.00 0.00 C ATOM 262 CD GLU A 16 36.968 56.492 17.777 1.00 0.00 C ATOM 263 OE1 GLU A 16 37.758 56.830 16.870 1.00 0.00 O ATOM 264 OE2 GLU A 16 35.917 57.123 18.027 1.00 0.00 O ATOM 0 H GLU A 16 39.714 53.046 17.873 1.00 0.00 H new ATOM 0 HA GLU A 16 37.298 52.735 19.543 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.676 54.111 16.877 1.00 0.00 H new ATOM 0 HB3 GLU A 16 36.129 53.804 17.638 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.666 55.248 19.514 1.00 0.00 H new ATOM 0 HG3 GLU A 16 38.341 55.379 19.015 1.00 0.00 H new ATOM 271 N VAL A 17 36.535 50.714 18.444 1.00 0.00 N ATOM 272 CA VAL A 17 36.306 49.300 18.222 1.00 0.00 C ATOM 273 C VAL A 17 34.815 48.968 18.314 1.00 0.00 C ATOM 274 O VAL A 17 33.994 49.833 18.607 1.00 0.00 O ATOM 275 CB VAL A 17 37.108 48.476 19.226 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.616 48.651 19.076 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.739 48.778 20.675 1.00 0.00 C ATOM 0 H VAL A 17 35.877 51.109 19.115 1.00 0.00 H new ATOM 0 HA VAL A 17 36.642 49.047 17.216 1.00 0.00 H new ATOM 0 HB VAL A 17 36.841 47.446 18.992 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.129 48.039 19.818 1.00 0.00 H new ATOM 0 HG12 VAL A 17 38.921 48.340 18.077 1.00 0.00 H new ATOM 0 HG13 VAL A 17 38.877 49.699 19.226 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.343 48.161 21.340 1.00 0.00 H new ATOM 0 HG22 VAL A 17 36.927 49.831 20.886 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.683 48.558 20.835 1.00 0.00 H new ATOM 287 N GLU A 18 34.453 47.712 18.064 1.00 0.00 N ATOM 288 CA GLU A 18 33.110 47.181 18.175 1.00 0.00 C ATOM 289 C GLU A 18 33.127 45.930 19.057 1.00 0.00 C ATOM 290 O GLU A 18 34.163 45.270 19.109 1.00 0.00 O ATOM 291 CB GLU A 18 32.569 46.842 16.788 1.00 0.00 C ATOM 292 CG GLU A 18 32.465 48.012 15.815 1.00 0.00 C ATOM 293 CD GLU A 18 31.377 49.023 16.184 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.224 48.609 16.430 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.627 50.249 16.169 1.00 0.00 O ATOM 0 H GLU A 18 35.127 47.008 17.764 1.00 0.00 H new ATOM 0 HA GLU A 18 32.461 47.929 18.630 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.210 46.080 16.344 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.580 46.399 16.902 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.426 48.525 15.773 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.266 47.625 14.815 1.00 0.00 H new ATOM 302 N PRO A 19 32.048 45.540 19.730 1.00 0.00 N ATOM 303 CA PRO A 19 32.039 44.377 20.595 1.00 0.00 C ATOM 304 C PRO A 19 32.498 43.073 19.940 1.00 0.00 C ATOM 305 O PRO A 19 33.111 42.238 20.601 1.00 0.00 O ATOM 306 CB PRO A 19 30.604 44.255 21.098 1.00 0.00 C ATOM 307 CG PRO A 19 30.119 45.701 21.103 1.00 0.00 C ATOM 308 CD PRO A 19 30.818 46.290 19.881 1.00 0.00 C ATOM 0 HA PRO A 19 32.767 44.526 21.393 1.00 0.00 H new ATOM 0 HB2 PRO A 19 29.999 43.628 20.443 1.00 0.00 H new ATOM 0 HB3 PRO A 19 30.561 43.811 22.093 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.034 45.765 21.020 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.399 46.220 22.020 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.194 46.200 18.992 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.022 47.352 20.021 1.00 0.00 H new ATOM 316 N SER A 20 32.206 42.892 18.656 1.00 0.00 N ATOM 317 CA SER A 20 32.623 41.756 17.858 1.00 0.00 C ATOM 318 C SER A 20 33.877 41.990 17.013 1.00 0.00 C ATOM 319 O SER A 20 34.224 41.143 16.194 1.00 0.00 O ATOM 320 CB SER A 20 31.452 41.217 17.040 1.00 0.00 C ATOM 321 OG SER A 20 31.028 42.136 16.058 1.00 0.00 O ATOM 0 H SER A 20 31.650 43.563 18.126 1.00 0.00 H new ATOM 0 HA SER A 20 32.933 40.987 18.566 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.744 40.283 16.561 1.00 0.00 H new ATOM 0 HB3 SER A 20 30.620 40.987 17.705 1.00 0.00 H new ATOM 0 HG SER A 20 30.279 41.754 15.555 1.00 0.00 H new ATOM 327 N ASP A 21 34.587 43.097 17.211 1.00 0.00 N ATOM 328 CA ASP A 21 35.885 43.330 16.610 1.00 0.00 C ATOM 329 C ASP A 21 36.936 42.394 17.210 1.00 0.00 C ATOM 330 O ASP A 21 36.833 41.976 18.362 1.00 0.00 O ATOM 331 CB ASP A 21 36.282 44.798 16.737 1.00 0.00 C ATOM 332 CG ASP A 21 37.361 45.251 15.751 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.584 44.567 14.729 1.00 0.00 O ATOM 334 OD2 ASP A 21 37.919 46.354 15.938 1.00 0.00 O ATOM 0 H ASP A 21 34.268 43.864 17.802 1.00 0.00 H new ATOM 0 HA ASP A 21 35.823 43.103 15.546 1.00 0.00 H new ATOM 0 HB2 ASP A 21 35.395 45.415 16.594 1.00 0.00 H new ATOM 0 HB3 ASP A 21 36.636 44.979 17.752 1.00 0.00 H new ATOM 339 N THR A 22 37.945 42.041 16.419 1.00 0.00 N ATOM 340 CA THR A 22 38.896 40.990 16.718 1.00 0.00 C ATOM 341 C THR A 22 40.212 41.499 17.307 1.00 0.00 C ATOM 342 O THR A 22 40.672 42.591 16.979 1.00 0.00 O ATOM 343 CB THR A 22 39.189 40.123 15.496 1.00 0.00 C ATOM 344 OG1 THR A 22 39.465 40.928 14.372 1.00 0.00 O ATOM 345 CG2 THR A 22 38.013 39.212 15.156 1.00 0.00 C ATOM 0 H THR A 22 38.124 42.497 15.524 1.00 0.00 H new ATOM 0 HA THR A 22 38.408 40.386 17.483 1.00 0.00 H new ATOM 0 HB THR A 22 40.056 39.510 15.744 1.00 0.00 H new ATOM 0 HG1 THR A 22 39.652 40.356 13.598 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.260 38.611 14.281 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.805 38.555 16.001 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.133 39.818 14.943 1.00 0.00 H new ATOM 353 N ILE A 23 40.872 40.672 18.112 1.00 0.00 N ATOM 354 CA ILE A 23 42.144 41.006 18.722 1.00 0.00 C ATOM 355 C ILE A 23 43.222 41.228 17.660 1.00 0.00 C ATOM 356 O ILE A 23 43.996 42.174 17.781 1.00 0.00 O ATOM 357 CB ILE A 23 42.531 39.968 19.772 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.494 39.771 20.873 1.00 0.00 C ATOM 359 CG2 ILE A 23 43.885 40.290 20.397 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.035 41.029 21.604 1.00 0.00 C ATOM 0 H ILE A 23 40.531 39.743 18.358 1.00 0.00 H new ATOM 0 HA ILE A 23 42.044 41.954 19.251 1.00 0.00 H new ATOM 0 HB ILE A 23 42.588 39.027 19.224 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.618 39.291 20.436 1.00 0.00 H new ATOM 0 HG13 ILE A 23 41.904 39.078 21.608 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.132 39.532 21.141 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.651 40.300 19.621 1.00 0.00 H new ATOM 0 HG23 ILE A 23 43.841 41.268 20.876 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.299 40.761 22.362 1.00 0.00 H new ATOM 0 HD12 ILE A 23 41.891 41.505 22.082 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.586 41.721 20.891 1.00 0.00 H new ATOM 372 N GLU A 24 43.243 40.459 16.575 1.00 0.00 N ATOM 373 CA GLU A 24 44.178 40.662 15.487 1.00 0.00 C ATOM 374 C GLU A 24 43.950 41.972 14.731 1.00 0.00 C ATOM 375 O GLU A 24 44.917 42.617 14.331 1.00 0.00 O ATOM 376 CB GLU A 24 44.156 39.442 14.570 1.00 0.00 C ATOM 377 CG GLU A 24 45.409 39.287 13.714 1.00 0.00 C ATOM 378 CD GLU A 24 45.512 37.885 13.111 1.00 0.00 C ATOM 379 OE1 GLU A 24 46.299 37.054 13.613 1.00 0.00 O ATOM 380 OE2 GLU A 24 44.805 37.580 12.126 1.00 0.00 O ATOM 0 H GLU A 24 42.606 39.675 16.431 1.00 0.00 H new ATOM 0 HA GLU A 24 45.177 40.764 15.912 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.030 38.546 15.178 1.00 0.00 H new ATOM 0 HB3 GLU A 24 43.287 39.508 13.915 1.00 0.00 H new ATOM 0 HG2 GLU A 24 45.397 40.027 12.914 1.00 0.00 H new ATOM 0 HG3 GLU A 24 46.292 39.488 14.321 1.00 0.00 H new ATOM 387 N ASN A 25 42.711 42.441 14.615 1.00 0.00 N ATOM 388 CA ASN A 25 42.422 43.762 14.092 1.00 0.00 C ATOM 389 C ASN A 25 42.793 44.869 15.080 1.00 0.00 C ATOM 390 O ASN A 25 43.345 45.889 14.670 1.00 0.00 O ATOM 391 CB ASN A 25 40.958 43.862 13.674 1.00 0.00 C ATOM 392 CG ASN A 25 40.673 45.152 12.900 1.00 0.00 C ATOM 393 OD1 ASN A 25 41.415 45.553 12.006 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.578 45.845 13.196 1.00 0.00 N ATOM 0 H ASN A 25 41.882 41.911 14.883 1.00 0.00 H new ATOM 0 HA ASN A 25 43.045 43.909 13.210 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.697 43.003 13.056 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.324 43.822 14.560 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.361 46.700 12.683 1.00 0.00 H new ATOM 0 HD22 ASN A 25 38.955 45.522 13.936 1.00 0.00 H new ATOM 401 N VAL A 26 42.569 44.684 16.378 1.00 0.00 N ATOM 402 CA VAL A 26 43.005 45.628 17.388 1.00 0.00 C ATOM 403 C VAL A 26 44.530 45.745 17.426 1.00 0.00 C ATOM 404 O VAL A 26 45.036 46.864 17.477 1.00 0.00 O ATOM 405 CB VAL A 26 42.397 45.307 18.750 1.00 0.00 C ATOM 406 CG1 VAL A 26 42.960 46.170 19.875 1.00 0.00 C ATOM 407 CG2 VAL A 26 40.890 45.551 18.719 1.00 0.00 C ATOM 0 H VAL A 26 42.079 43.872 16.754 1.00 0.00 H new ATOM 0 HA VAL A 26 42.631 46.614 17.111 1.00 0.00 H new ATOM 0 HB VAL A 26 42.642 44.263 18.946 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.487 45.893 20.817 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.036 46.014 19.949 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.759 47.220 19.663 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.464 45.319 19.695 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.695 46.596 18.477 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.433 44.912 17.963 1.00 0.00 H new ATOM 417 N LYS A 27 45.276 44.656 17.267 1.00 0.00 N ATOM 418 CA LYS A 27 46.710 44.705 17.069 1.00 0.00 C ATOM 419 C LYS A 27 47.109 45.477 15.810 1.00 0.00 C ATOM 420 O LYS A 27 48.088 46.218 15.856 1.00 0.00 O ATOM 421 CB LYS A 27 47.317 43.305 17.025 1.00 0.00 C ATOM 422 CG LYS A 27 47.378 42.604 18.379 1.00 0.00 C ATOM 423 CD LYS A 27 48.185 41.319 18.222 1.00 0.00 C ATOM 424 CE LYS A 27 48.409 40.589 19.543 1.00 0.00 C ATOM 425 NZ LYS A 27 49.221 39.384 19.319 1.00 0.00 N ATOM 0 H LYS A 27 44.894 43.710 17.273 1.00 0.00 H new ATOM 0 HA LYS A 27 47.109 45.242 17.930 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.736 42.691 16.337 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.326 43.372 16.618 1.00 0.00 H new ATOM 0 HG2 LYS A 27 47.841 43.254 19.122 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.373 42.379 18.735 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.668 40.655 17.529 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.151 41.556 17.776 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.909 41.248 20.252 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.451 40.315 19.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 49.187 38.780 20.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.846 38.859 18.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 50.206 39.659 19.130 1.00 0.00 H new ATOM 439 N ALA A 28 46.350 45.378 14.721 1.00 0.00 N ATOM 440 CA ALA A 28 46.570 46.150 13.515 1.00 0.00 C ATOM 441 C ALA A 28 46.248 47.637 13.672 1.00 0.00 C ATOM 442 O ALA A 28 46.936 48.479 13.099 1.00 0.00 O ATOM 443 CB ALA A 28 45.775 45.524 12.372 1.00 0.00 C ATOM 0 H ALA A 28 45.552 44.746 14.658 1.00 0.00 H new ATOM 0 HA ALA A 28 47.636 46.115 13.290 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.935 46.099 11.460 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.108 44.498 12.217 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.714 45.528 12.622 1.00 0.00 H new ATOM 449 N LYS A 29 45.258 47.985 14.490 1.00 0.00 N ATOM 450 CA LYS A 29 44.924 49.339 14.881 1.00 0.00 C ATOM 451 C LYS A 29 45.989 49.947 15.797 1.00 0.00 C ATOM 452 O LYS A 29 46.290 51.132 15.670 1.00 0.00 O ATOM 453 CB LYS A 29 43.547 49.373 15.536 1.00 0.00 C ATOM 454 CG LYS A 29 42.371 49.155 14.589 1.00 0.00 C ATOM 455 CD LYS A 29 41.053 49.046 15.351 1.00 0.00 C ATOM 456 CE LYS A 29 39.866 49.052 14.391 1.00 0.00 C ATOM 457 NZ LYS A 29 38.582 48.900 15.092 1.00 0.00 N ATOM 0 H LYS A 29 44.641 47.292 14.915 1.00 0.00 H new ATOM 0 HA LYS A 29 44.896 49.952 13.980 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.513 48.609 16.313 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.421 50.336 16.030 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.315 49.981 13.880 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.533 48.247 14.009 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.044 48.129 15.941 1.00 0.00 H new ATOM 0 HD3 LYS A 29 40.964 49.876 16.051 1.00 0.00 H new ATOM 0 HE2 LYS A 29 39.862 49.985 13.827 1.00 0.00 H new ATOM 0 HE3 LYS A 29 39.981 48.244 13.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 37.803 48.944 14.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.560 47.983 15.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.473 49.666 15.787 1.00 0.00 H new ATOM 471 N ILE A 30 46.611 49.155 16.666 1.00 0.00 N ATOM 472 CA ILE A 30 47.799 49.529 17.407 1.00 0.00 C ATOM 473 C ILE A 30 48.973 49.728 16.446 1.00 0.00 C ATOM 474 O ILE A 30 49.680 50.729 16.548 1.00 0.00 O ATOM 475 CB ILE A 30 48.119 48.527 18.511 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.042 48.539 19.592 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.483 48.792 19.142 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.096 47.364 20.565 1.00 0.00 C ATOM 0 H ILE A 30 46.289 48.210 16.876 1.00 0.00 H new ATOM 0 HA ILE A 30 47.609 50.478 17.909 1.00 0.00 H new ATOM 0 HB ILE A 30 48.145 47.542 18.044 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.127 49.466 20.159 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.064 48.549 19.110 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.672 48.056 19.923 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.258 48.718 18.379 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.495 49.792 19.575 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.293 47.459 21.296 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.977 46.430 20.015 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.057 47.362 21.080 1.00 0.00 H new ATOM 490 N GLN A 31 49.175 48.835 15.482 1.00 0.00 N ATOM 491 CA GLN A 31 50.253 48.910 14.515 1.00 0.00 C ATOM 492 C GLN A 31 50.164 50.143 13.615 1.00 0.00 C ATOM 493 O GLN A 31 51.202 50.704 13.270 1.00 0.00 O ATOM 494 CB GLN A 31 50.274 47.613 13.710 1.00 0.00 C ATOM 495 CG GLN A 31 51.574 47.367 12.950 1.00 0.00 C ATOM 496 CD GLN A 31 51.523 46.076 12.130 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.475 45.476 11.901 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.663 45.572 11.666 1.00 0.00 N ATOM 0 H GLN A 31 48.575 48.020 15.353 1.00 0.00 H new ATOM 0 HA GLN A 31 51.195 49.024 15.052 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.098 46.776 14.386 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.448 47.627 12.999 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.772 48.210 12.288 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.403 47.315 13.656 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.544 46.054 11.845 1.00 0.00 H new ATOM 0 HE22 GLN A 31 52.656 44.703 11.131 1.00 0.00 H new ATOM 507 N ASP A 32 48.971 50.632 13.290 1.00 0.00 N ATOM 508 CA ASP A 32 48.775 51.891 12.599 1.00 0.00 C ATOM 509 C ASP A 32 49.391 53.089 13.323 1.00 0.00 C ATOM 510 O ASP A 32 49.933 53.968 12.655 1.00 0.00 O ATOM 511 CB ASP A 32 47.282 52.105 12.363 1.00 0.00 C ATOM 512 CG ASP A 32 46.924 53.527 11.930 1.00 0.00 C ATOM 513 OD1 ASP A 32 47.044 53.855 10.730 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.486 54.318 12.794 1.00 0.00 O ATOM 0 H ASP A 32 48.099 50.150 13.507 1.00 0.00 H new ATOM 0 HA ASP A 32 49.302 51.825 11.647 1.00 0.00 H new ATOM 0 HB2 ASP A 32 46.940 51.406 11.600 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.741 51.867 13.279 1.00 0.00 H new ATOM 519 N LYS A 33 49.339 53.131 14.651 1.00 0.00 N ATOM 520 CA LYS A 33 49.773 54.270 15.435 1.00 0.00 C ATOM 521 C LYS A 33 51.098 54.102 16.180 1.00 0.00 C ATOM 522 O LYS A 33 51.793 55.096 16.375 1.00 0.00 O ATOM 523 CB LYS A 33 48.627 54.779 16.305 1.00 0.00 C ATOM 524 CG LYS A 33 48.198 53.889 17.467 1.00 0.00 C ATOM 525 CD LYS A 33 46.838 54.316 18.014 1.00 0.00 C ATOM 526 CE LYS A 33 46.813 55.750 18.533 1.00 0.00 C ATOM 527 NZ LYS A 33 45.431 56.221 18.710 1.00 0.00 N ATOM 0 H LYS A 33 48.987 52.359 15.217 1.00 0.00 H new ATOM 0 HA LYS A 33 50.028 55.051 14.718 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.912 55.750 16.709 1.00 0.00 H new ATOM 0 HB3 LYS A 33 47.761 54.942 15.664 1.00 0.00 H new ATOM 0 HG2 LYS A 33 48.151 52.851 17.136 1.00 0.00 H new ATOM 0 HG3 LYS A 33 48.944 53.937 18.260 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.090 54.209 17.229 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.552 53.641 18.821 1.00 0.00 H new ATOM 0 HE2 LYS A 33 47.345 55.806 19.483 1.00 0.00 H new ATOM 0 HE3 LYS A 33 47.337 56.403 17.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 45.440 57.180 19.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.949 56.236 17.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.926 55.580 19.355 1.00 0.00 H new ATOM 541 N GLU A 34 51.500 52.882 16.527 1.00 0.00 N ATOM 542 CA GLU A 34 52.746 52.592 17.205 1.00 0.00 C ATOM 543 C GLU A 34 53.742 51.775 16.380 1.00 0.00 C ATOM 544 O GLU A 34 54.911 51.703 16.755 1.00 0.00 O ATOM 545 CB GLU A 34 52.463 51.872 18.520 1.00 0.00 C ATOM 546 CG GLU A 34 51.710 52.685 19.568 1.00 0.00 C ATOM 547 CD GLU A 34 52.518 53.877 20.085 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.349 53.711 21.004 1.00 0.00 O ATOM 549 OE2 GLU A 34 52.337 55.007 19.584 1.00 0.00 O ATOM 0 H GLU A 34 50.946 52.047 16.335 1.00 0.00 H new ATOM 0 HA GLU A 34 53.220 53.558 17.380 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.889 50.971 18.304 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.412 51.550 18.949 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.774 53.044 19.139 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.449 52.038 20.405 1.00 0.00 H new ATOM 556 N GLY A 35 53.337 51.131 15.289 1.00 0.00 N ATOM 557 CA GLY A 35 54.207 50.362 14.422 1.00 0.00 C ATOM 558 C GLY A 35 54.694 49.012 14.954 1.00 0.00 C ATOM 559 O GLY A 35 55.453 48.332 14.268 1.00 0.00 O ATOM 0 H GLY A 35 52.365 51.134 14.980 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.682 50.188 13.483 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.081 50.971 14.191 1.00 0.00 H new ATOM 563 N ILE A 36 54.272 48.600 16.147 1.00 0.00 N ATOM 564 CA ILE A 36 54.773 47.428 16.836 1.00 0.00 C ATOM 565 C ILE A 36 54.327 46.148 16.123 1.00 0.00 C ATOM 566 O ILE A 36 53.124 45.983 15.937 1.00 0.00 O ATOM 567 CB ILE A 36 54.304 47.413 18.288 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.688 48.672 19.060 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.863 46.201 19.027 1.00 0.00 C ATOM 570 CD1 ILE A 36 53.786 48.918 20.266 1.00 0.00 C ATOM 0 H ILE A 36 53.549 49.093 16.672 1.00 0.00 H new ATOM 0 HA ILE A 36 55.862 47.470 16.824 1.00 0.00 H new ATOM 0 HB ILE A 36 53.216 47.365 18.242 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.722 48.587 19.395 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.639 49.532 18.393 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.515 46.212 20.060 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.522 45.288 18.539 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.952 46.236 19.011 1.00 0.00 H new ATOM 0 HD11 ILE A 36 54.104 49.826 20.779 1.00 0.00 H new ATOM 0 HD12 ILE A 36 52.755 49.032 19.932 1.00 0.00 H new ATOM 0 HD13 ILE A 36 53.854 48.072 20.950 1.00 0.00 H new ATOM 582 N PRO A 37 55.215 45.211 15.807 1.00 0.00 N ATOM 583 CA PRO A 37 54.866 43.937 15.210 1.00 0.00 C ATOM 584 C PRO A 37 53.811 43.162 16.000 1.00 0.00 C ATOM 585 O PRO A 37 54.057 42.858 17.165 1.00 0.00 O ATOM 586 CB PRO A 37 56.169 43.145 15.128 1.00 0.00 C ATOM 587 CG PRO A 37 57.226 44.238 14.993 1.00 0.00 C ATOM 588 CD PRO A 37 56.656 45.337 15.885 1.00 0.00 C ATOM 0 HA PRO A 37 54.414 44.101 14.232 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.329 42.537 16.018 1.00 0.00 H new ATOM 0 HB3 PRO A 37 56.177 42.468 14.274 1.00 0.00 H new ATOM 0 HG2 PRO A 37 58.206 43.903 15.333 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.342 44.569 13.961 1.00 0.00 H new ATOM 0 HD2 PRO A 37 57.002 45.224 16.912 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.980 46.321 15.546 1.00 0.00 H new ATOM 596 N PRO A 38 52.666 42.801 15.428 1.00 0.00 N ATOM 597 CA PRO A 38 51.613 42.070 16.105 1.00 0.00 C ATOM 598 C PRO A 38 52.041 40.759 16.766 1.00 0.00 C ATOM 599 O PRO A 38 51.492 40.397 17.805 1.00 0.00 O ATOM 600 CB PRO A 38 50.550 41.809 15.042 1.00 0.00 C ATOM 601 CG PRO A 38 50.682 43.020 14.124 1.00 0.00 C ATOM 602 CD PRO A 38 52.186 43.276 14.146 1.00 0.00 C ATOM 0 HA PRO A 38 51.258 42.670 16.943 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.732 40.876 14.509 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.553 41.738 15.477 1.00 0.00 H new ATOM 0 HG2 PRO A 38 50.319 42.810 13.118 1.00 0.00 H new ATOM 0 HG3 PRO A 38 50.118 43.876 14.494 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.681 42.752 13.328 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.401 44.337 14.020 1.00 0.00 H new ATOM 610 N ASP A 39 53.054 40.073 16.243 1.00 0.00 N ATOM 611 CA ASP A 39 53.600 38.868 16.835 1.00 0.00 C ATOM 612 C ASP A 39 54.336 39.113 18.153 1.00 0.00 C ATOM 613 O ASP A 39 54.447 38.198 18.965 1.00 0.00 O ATOM 614 CB ASP A 39 54.514 38.201 15.811 1.00 0.00 C ATOM 615 CG ASP A 39 54.867 36.764 16.199 1.00 0.00 C ATOM 616 OD1 ASP A 39 56.055 36.471 16.455 1.00 0.00 O ATOM 617 OD2 ASP A 39 53.957 35.906 16.200 1.00 0.00 O ATOM 0 H ASP A 39 53.523 40.349 15.380 1.00 0.00 H new ATOM 0 HA ASP A 39 52.768 38.212 17.092 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.026 38.203 14.836 1.00 0.00 H new ATOM 0 HB3 ASP A 39 55.430 38.784 15.710 1.00 0.00 H new ATOM 622 N GLN A 40 54.793 40.340 18.386 1.00 0.00 N ATOM 623 CA GLN A 40 55.490 40.798 19.572 1.00 0.00 C ATOM 624 C GLN A 40 54.621 41.643 20.506 1.00 0.00 C ATOM 625 O GLN A 40 55.046 41.934 21.621 1.00 0.00 O ATOM 626 CB GLN A 40 56.735 41.570 19.145 1.00 0.00 C ATOM 627 CG GLN A 40 57.822 40.663 18.575 1.00 0.00 C ATOM 628 CD GLN A 40 58.949 41.456 17.910 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.165 41.384 16.702 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.721 42.230 18.668 1.00 0.00 N ATOM 0 H GLN A 40 54.675 41.087 17.701 1.00 0.00 H new ATOM 0 HA GLN A 40 55.766 39.917 20.151 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.458 42.313 18.397 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.133 42.113 20.002 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.236 40.048 19.375 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.380 39.983 17.847 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.549 42.296 19.671 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.485 42.758 18.246 1.00 0.00 H new ATOM 639 N GLN A 41 53.412 42.018 20.098 1.00 0.00 N ATOM 640 CA GLN A 41 52.433 42.643 20.963 1.00 0.00 C ATOM 641 C GLN A 41 51.841 41.597 21.910 1.00 0.00 C ATOM 642 O GLN A 41 51.176 40.669 21.456 1.00 0.00 O ATOM 643 CB GLN A 41 51.316 43.296 20.153 1.00 0.00 C ATOM 644 CG GLN A 41 51.717 44.511 19.322 1.00 0.00 C ATOM 645 CD GLN A 41 50.522 45.132 18.596 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.431 45.269 19.144 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.648 45.543 17.337 1.00 0.00 N ATOM 0 H GLN A 41 53.086 41.891 19.140 1.00 0.00 H new ATOM 0 HA GLN A 41 52.934 43.421 21.539 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.893 42.546 19.484 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.523 43.595 20.839 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.175 45.258 19.971 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.471 44.217 18.592 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.541 45.443 16.855 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.851 45.958 16.854 1.00 0.00 H new ATOM 656 N ARG A 42 52.075 41.722 23.214 1.00 0.00 N ATOM 657 CA ARG A 42 51.430 40.942 24.251 1.00 0.00 C ATOM 658 C ARG A 42 50.367 41.809 24.928 1.00 0.00 C ATOM 659 O ARG A 42 50.701 42.859 25.471 1.00 0.00 O ATOM 660 CB ARG A 42 52.497 40.431 25.215 1.00 0.00 C ATOM 661 CG ARG A 42 51.962 39.609 26.384 1.00 0.00 C ATOM 662 CD ARG A 42 53.129 39.187 27.272 1.00 0.00 C ATOM 663 NE ARG A 42 52.684 38.614 28.543 1.00 0.00 N ATOM 664 CZ ARG A 42 53.030 39.026 29.770 1.00 0.00 C ATOM 665 NH1 ARG A 42 53.926 39.997 29.995 1.00 0.00 N ATOM 666 NH2 ARG A 42 52.463 38.464 30.846 1.00 0.00 N ATOM 0 H ARG A 42 52.745 42.396 23.585 1.00 0.00 H new ATOM 0 HA ARG A 42 50.920 40.069 23.844 1.00 0.00 H new ATOM 0 HB2 ARG A 42 53.209 39.823 24.657 1.00 0.00 H new ATOM 0 HB3 ARG A 42 53.048 41.284 25.611 1.00 0.00 H new ATOM 0 HG2 ARG A 42 51.245 40.195 26.959 1.00 0.00 H new ATOM 0 HG3 ARG A 42 51.433 38.730 26.015 1.00 0.00 H new ATOM 0 HD2 ARG A 42 53.740 38.457 26.742 1.00 0.00 H new ATOM 0 HD3 ARG A 42 53.764 40.051 27.468 1.00 0.00 H new ATOM 0 HE ARG A 42 52.046 37.820 28.489 1.00 0.00 H new ATOM 0 HH11 ARG A 42 54.382 40.462 29.210 1.00 0.00 H new ATOM 0 HH12 ARG A 42 54.152 40.271 30.951 1.00 0.00 H new ATOM 0 HH21 ARG A 42 51.770 37.725 30.730 1.00 0.00 H new ATOM 0 HH22 ARG A 42 52.724 38.775 31.781 1.00 0.00 H new ATOM 680 N LEU A 43 49.103 41.397 24.875 1.00 0.00 N ATOM 681 CA LEU A 43 47.966 42.144 25.372 1.00 0.00 C ATOM 682 C LEU A 43 47.309 41.438 26.561 1.00 0.00 C ATOM 683 O LEU A 43 47.080 40.231 26.519 1.00 0.00 O ATOM 684 CB LEU A 43 46.966 42.369 24.242 1.00 0.00 C ATOM 685 CG LEU A 43 47.396 43.370 23.172 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.454 43.279 21.974 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.344 44.802 23.694 1.00 0.00 C ATOM 0 H LEU A 43 48.840 40.499 24.468 1.00 0.00 H new ATOM 0 HA LEU A 43 48.316 43.112 25.731 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.768 41.412 23.760 1.00 0.00 H new ATOM 0 HB3 LEU A 43 46.025 42.709 24.675 1.00 0.00 H new ATOM 0 HG LEU A 43 48.419 43.124 22.889 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.764 43.995 21.212 1.00 0.00 H new ATOM 0 HD12 LEU A 43 46.488 42.271 21.560 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.437 43.506 22.293 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.656 45.488 22.907 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.326 45.041 24.000 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.013 44.902 24.549 1.00 0.00 H new ATOM 699 N ILE A 44 46.984 42.192 27.606 1.00 0.00 N ATOM 700 CA ILE A 44 46.418 41.691 28.842 1.00 0.00 C ATOM 701 C ILE A 44 45.230 42.557 29.267 1.00 0.00 C ATOM 702 O ILE A 44 45.309 43.783 29.243 1.00 0.00 O ATOM 703 CB ILE A 44 47.472 41.589 29.941 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.748 40.882 29.493 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.901 40.906 31.180 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.879 40.904 30.516 1.00 0.00 C ATOM 0 H ILE A 44 47.114 43.204 27.610 1.00 0.00 H new ATOM 0 HA ILE A 44 46.053 40.679 28.669 1.00 0.00 H new ATOM 0 HB ILE A 44 47.750 42.614 30.186 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.509 39.845 29.257 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.100 41.346 28.572 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.671 40.845 31.949 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.056 41.483 31.557 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.567 39.901 30.920 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.745 40.379 30.113 1.00 0.00 H new ATOM 0 HD12 ILE A 44 50.151 41.936 30.736 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.551 40.412 31.432 1.00 0.00 H new ATOM 718 N PHE A 45 44.139 41.935 29.703 1.00 0.00 N ATOM 719 CA PHE A 45 42.982 42.582 30.290 1.00 0.00 C ATOM 720 C PHE A 45 42.636 41.934 31.632 1.00 0.00 C ATOM 721 O PHE A 45 42.396 40.729 31.667 1.00 0.00 O ATOM 722 CB PHE A 45 41.808 42.460 29.323 1.00 0.00 C ATOM 723 CG PHE A 45 40.527 43.096 29.803 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.519 44.438 30.205 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.335 42.361 29.831 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.331 45.041 30.634 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.141 42.972 30.230 1.00 0.00 C ATOM 728 CZ PHE A 45 38.135 44.314 30.629 1.00 0.00 C ATOM 0 H PHE A 45 44.038 40.921 29.652 1.00 0.00 H new ATOM 0 HA PHE A 45 43.201 43.635 30.469 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.089 42.914 28.373 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.623 41.403 29.129 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.435 45.010 30.184 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.337 41.320 29.544 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.337 46.068 30.969 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.221 42.406 30.230 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.212 44.786 30.931 1.00 0.00 H new ATOM 738 N ALA A 46 42.616 42.704 32.715 1.00 0.00 N ATOM 739 CA ALA A 46 42.309 42.232 34.050 1.00 0.00 C ATOM 740 C ALA A 46 42.999 40.920 34.427 1.00 0.00 C ATOM 741 O ALA A 46 42.373 39.971 34.894 1.00 0.00 O ATOM 742 CB ALA A 46 40.794 42.234 34.230 1.00 0.00 C ATOM 0 H ALA A 46 42.820 43.703 32.681 1.00 0.00 H new ATOM 0 HA ALA A 46 42.739 42.923 34.775 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.546 41.881 35.231 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.413 43.247 34.098 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.339 41.576 33.490 1.00 0.00 H new ATOM 748 N GLY A 47 44.296 40.824 34.147 1.00 0.00 N ATOM 749 CA GLY A 47 45.122 39.656 34.373 1.00 0.00 C ATOM 750 C GLY A 47 44.984 38.493 33.387 1.00 0.00 C ATOM 751 O GLY A 47 45.626 37.469 33.604 1.00 0.00 O ATOM 0 H GLY A 47 44.818 41.599 33.737 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.164 39.976 34.373 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.905 39.278 35.372 1.00 0.00 H new ATOM 755 N LYS A 48 44.180 38.600 32.332 1.00 0.00 N ATOM 756 CA LYS A 48 43.972 37.588 31.317 1.00 0.00 C ATOM 757 C LYS A 48 44.651 37.979 30.003 1.00 0.00 C ATOM 758 O LYS A 48 44.437 39.089 29.520 1.00 0.00 O ATOM 759 CB LYS A 48 42.483 37.360 31.080 1.00 0.00 C ATOM 760 CG LYS A 48 41.716 37.060 32.366 1.00 0.00 C ATOM 761 CD LYS A 48 40.311 36.528 32.095 1.00 0.00 C ATOM 762 CE LYS A 48 39.461 36.439 33.359 1.00 0.00 C ATOM 763 NZ LYS A 48 40.138 35.691 34.429 1.00 0.00 N ATOM 0 H LYS A 48 43.630 39.442 32.159 1.00 0.00 H new ATOM 0 HA LYS A 48 44.420 36.662 31.678 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.056 38.244 30.606 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.354 36.531 30.384 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.271 36.330 32.955 1.00 0.00 H new ATOM 0 HG3 LYS A 48 41.648 37.968 32.966 1.00 0.00 H new ATOM 0 HD2 LYS A 48 39.814 37.176 31.373 1.00 0.00 H new ATOM 0 HD3 LYS A 48 40.383 35.540 31.640 1.00 0.00 H new ATOM 0 HE2 LYS A 48 39.229 37.444 33.711 1.00 0.00 H new ATOM 0 HE3 LYS A 48 38.512 35.956 33.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 39.459 35.479 35.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 40.517 34.802 34.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 40.918 36.263 34.812 1.00 0.00 H new ATOM 777 N GLN A 49 45.436 37.089 29.402 1.00 0.00 N ATOM 778 CA GLN A 49 46.117 37.354 28.151 1.00 0.00 C ATOM 779 C GLN A 49 45.192 37.153 26.948 1.00 0.00 C ATOM 780 O GLN A 49 44.448 36.176 26.892 1.00 0.00 O ATOM 781 CB GLN A 49 47.391 36.517 28.072 1.00 0.00 C ATOM 782 CG GLN A 49 48.370 37.037 27.024 1.00 0.00 C ATOM 783 CD GLN A 49 49.625 36.163 26.976 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.654 36.463 27.577 1.00 0.00 O ATOM 785 NE2 GLN A 49 49.570 35.019 26.298 1.00 0.00 N ATOM 0 H GLN A 49 45.615 36.158 29.778 1.00 0.00 H new ATOM 0 HA GLN A 49 46.409 38.404 28.120 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.878 36.510 29.047 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.129 35.485 27.839 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.891 37.048 26.045 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.646 38.066 27.255 1.00 0.00 H new ATOM 0 HE21 GLN A 49 48.719 34.764 25.797 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.379 34.398 26.280 1.00 0.00 H new ATOM 794 N LEU A 50 45.240 38.069 25.986 1.00 0.00 N ATOM 795 CA LEU A 50 44.363 38.089 24.832 1.00 0.00 C ATOM 796 C LEU A 50 44.897 37.242 23.675 1.00 0.00 C ATOM 797 O LEU A 50 46.105 37.089 23.512 1.00 0.00 O ATOM 798 CB LEU A 50 44.074 39.521 24.389 1.00 0.00 C ATOM 799 CG LEU A 50 43.640 40.508 25.468 1.00 0.00 C ATOM 800 CD1 LEU A 50 43.208 41.825 24.827 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.466 40.010 26.307 1.00 0.00 C ATOM 0 H LEU A 50 45.911 38.837 25.993 1.00 0.00 H new ATOM 0 HA LEU A 50 43.422 37.633 25.140 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.971 39.915 23.911 1.00 0.00 H new ATOM 0 HB3 LEU A 50 43.295 39.489 23.627 1.00 0.00 H new ATOM 0 HG LEU A 50 44.505 40.633 26.119 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.900 42.524 25.604 1.00 0.00 H new ATOM 0 HD12 LEU A 50 44.042 42.249 24.268 1.00 0.00 H new ATOM 0 HD13 LEU A 50 42.373 41.644 24.150 1.00 0.00 H new ATOM 0 HD21 LEU A 50 42.209 40.760 27.055 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.606 39.833 25.661 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.743 39.081 26.805 1.00 0.00 H new ATOM 813 N GLU A 51 44.003 36.706 22.848 1.00 0.00 N ATOM 814 CA GLU A 51 44.307 35.806 21.754 1.00 0.00 C ATOM 815 C GLU A 51 43.762 36.314 20.417 1.00 0.00 C ATOM 816 O GLU A 51 42.583 36.631 20.291 1.00 0.00 O ATOM 817 CB GLU A 51 43.769 34.420 22.091 1.00 0.00 C ATOM 818 CG GLU A 51 44.341 33.346 21.171 1.00 0.00 C ATOM 819 CD GLU A 51 43.793 31.957 21.508 1.00 0.00 C ATOM 820 OE1 GLU A 51 43.863 31.543 22.685 1.00 0.00 O ATOM 821 OE2 GLU A 51 43.367 31.238 20.579 1.00 0.00 O ATOM 0 H GLU A 51 43.005 36.900 22.931 1.00 0.00 H new ATOM 0 HA GLU A 51 45.389 35.754 21.633 1.00 0.00 H new ATOM 0 HB2 GLU A 51 44.012 34.178 23.126 1.00 0.00 H new ATOM 0 HB3 GLU A 51 42.682 34.424 22.012 1.00 0.00 H new ATOM 0 HG2 GLU A 51 44.102 33.589 20.136 1.00 0.00 H new ATOM 0 HG3 GLU A 51 45.428 33.338 21.254 1.00 0.00 H new ATOM 828 N ASP A 52 44.634 36.376 19.414 1.00 0.00 N ATOM 829 CA ASP A 52 44.463 37.081 18.160 1.00 0.00 C ATOM 830 C ASP A 52 43.172 36.760 17.404 1.00 0.00 C ATOM 831 O ASP A 52 42.464 37.673 16.987 1.00 0.00 O ATOM 832 CB ASP A 52 45.685 36.797 17.290 1.00 0.00 C ATOM 833 CG ASP A 52 47.005 37.256 17.913 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.689 38.136 17.347 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.423 36.715 18.959 1.00 0.00 O ATOM 0 H ASP A 52 45.536 35.902 19.465 1.00 0.00 H new ATOM 0 HA ASP A 52 44.373 38.141 18.398 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.739 35.726 17.094 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.557 37.291 16.327 1.00 0.00 H new ATOM 840 N GLY A 53 42.821 35.484 17.266 1.00 0.00 N ATOM 841 CA GLY A 53 41.674 35.025 16.510 1.00 0.00 C ATOM 842 C GLY A 53 40.320 35.120 17.217 1.00 0.00 C ATOM 843 O GLY A 53 39.368 34.489 16.760 1.00 0.00 O ATOM 0 H GLY A 53 43.348 34.722 17.693 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.620 35.600 15.586 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.842 33.985 16.229 1.00 0.00 H new ATOM 847 N ARG A 54 40.213 35.857 18.318 1.00 0.00 N ATOM 848 CA ARG A 54 39.016 36.005 19.120 1.00 0.00 C ATOM 849 C ARG A 54 38.531 37.455 19.137 1.00 0.00 C ATOM 850 O ARG A 54 39.200 38.339 18.605 1.00 0.00 O ATOM 851 CB ARG A 54 39.272 35.440 20.515 1.00 0.00 C ATOM 852 CG ARG A 54 39.724 33.983 20.497 1.00 0.00 C ATOM 853 CD ARG A 54 39.895 33.397 21.896 1.00 0.00 C ATOM 854 NE ARG A 54 38.617 33.069 22.527 1.00 0.00 N ATOM 855 CZ ARG A 54 38.378 33.006 23.844 1.00 0.00 C ATOM 856 NH1 ARG A 54 39.310 33.251 24.774 1.00 0.00 N ATOM 857 NH2 ARG A 54 37.155 32.678 24.282 1.00 0.00 N ATOM 0 H ARG A 54 41.000 36.391 18.688 1.00 0.00 H new ATOM 0 HA ARG A 54 38.202 35.433 18.674 1.00 0.00 H new ATOM 0 HB2 ARG A 54 40.032 36.044 21.011 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.361 35.524 21.107 1.00 0.00 H new ATOM 0 HG2 ARG A 54 38.995 33.389 19.946 1.00 0.00 H new ATOM 0 HG3 ARG A 54 40.669 33.908 19.959 1.00 0.00 H new ATOM 0 HD2 ARG A 54 40.509 32.498 21.837 1.00 0.00 H new ATOM 0 HD3 ARG A 54 40.433 34.110 22.521 1.00 0.00 H new ATOM 0 HE ARG A 54 37.833 32.869 21.906 1.00 0.00 H new ATOM 0 HH11 ARG A 54 40.258 33.500 24.493 1.00 0.00 H new ATOM 0 HH12 ARG A 54 39.072 33.188 25.764 1.00 0.00 H new ATOM 0 HH21 ARG A 54 36.411 32.478 23.614 1.00 0.00 H new ATOM 0 HH22 ARG A 54 36.968 32.629 25.284 1.00 0.00 H new ATOM 871 N THR A 55 37.364 37.722 19.717 1.00 0.00 N ATOM 872 CA THR A 55 36.747 39.031 19.773 1.00 0.00 C ATOM 873 C THR A 55 36.969 39.750 21.106 1.00 0.00 C ATOM 874 O THR A 55 37.336 39.135 22.104 1.00 0.00 O ATOM 875 CB THR A 55 35.251 38.990 19.477 1.00 0.00 C ATOM 876 OG1 THR A 55 34.551 38.370 20.532 1.00 0.00 O ATOM 877 CG2 THR A 55 34.896 38.283 18.172 1.00 0.00 C ATOM 0 H THR A 55 36.807 37.001 20.176 1.00 0.00 H new ATOM 0 HA THR A 55 37.250 39.597 18.989 1.00 0.00 H new ATOM 0 HB THR A 55 34.952 40.033 19.373 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.914 37.472 20.682 1.00 0.00 H new ATOM 0 HG21 THR A 55 33.815 38.296 18.034 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.375 38.796 17.338 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.244 37.251 18.211 1.00 0.00 H new ATOM 885 N LEU A 56 36.666 41.044 21.163 1.00 0.00 N ATOM 886 CA LEU A 56 36.603 41.784 22.408 1.00 0.00 C ATOM 887 C LEU A 56 35.532 41.256 23.364 1.00 0.00 C ATOM 888 O LEU A 56 35.753 41.214 24.572 1.00 0.00 O ATOM 889 CB LEU A 56 36.391 43.262 22.094 1.00 0.00 C ATOM 890 CG LEU A 56 37.564 43.943 21.397 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.184 45.384 21.068 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.828 44.014 22.248 1.00 0.00 C ATOM 0 H LEU A 56 36.457 41.607 20.338 1.00 0.00 H new ATOM 0 HA LEU A 56 37.550 41.649 22.931 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.506 43.362 21.466 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.183 43.790 23.024 1.00 0.00 H new ATOM 0 HG LEU A 56 37.774 43.341 20.513 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.019 45.876 20.569 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.315 45.390 20.411 1.00 0.00 H new ATOM 0 HD13 LEU A 56 36.946 45.917 21.989 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.618 44.511 21.685 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.622 44.576 23.159 1.00 0.00 H new ATOM 0 HD23 LEU A 56 39.148 43.005 22.509 1.00 0.00 H new ATOM 904 N SER A 57 34.411 40.767 22.842 1.00 0.00 N ATOM 905 CA SER A 57 33.383 40.103 23.617 1.00 0.00 C ATOM 906 C SER A 57 33.871 38.812 24.280 1.00 0.00 C ATOM 907 O SER A 57 33.477 38.539 25.412 1.00 0.00 O ATOM 908 CB SER A 57 32.150 39.794 22.773 1.00 0.00 C ATOM 909 OG SER A 57 31.535 40.987 22.340 1.00 0.00 O ATOM 0 H SER A 57 34.193 40.826 21.847 1.00 0.00 H new ATOM 0 HA SER A 57 33.118 40.809 24.404 1.00 0.00 H new ATOM 0 HB2 SER A 57 32.434 39.191 21.911 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.442 39.204 23.355 1.00 0.00 H new ATOM 0 HG SER A 57 32.179 41.521 21.830 1.00 0.00 H new ATOM 915 N ASP A 58 34.779 38.058 23.667 1.00 0.00 N ATOM 916 CA ASP A 58 35.345 36.857 24.245 1.00 0.00 C ATOM 917 C ASP A 58 36.141 37.090 25.531 1.00 0.00 C ATOM 918 O ASP A 58 36.392 36.143 26.273 1.00 0.00 O ATOM 919 CB ASP A 58 36.220 36.121 23.235 1.00 0.00 C ATOM 920 CG ASP A 58 35.394 35.506 22.104 1.00 0.00 C ATOM 921 OD1 ASP A 58 34.609 34.572 22.377 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.527 35.952 20.944 1.00 0.00 O ATOM 0 H ASP A 58 35.144 38.274 22.739 1.00 0.00 H new ATOM 0 HA ASP A 58 34.484 36.246 24.515 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.951 36.813 22.816 1.00 0.00 H new ATOM 0 HB3 ASP A 58 36.780 35.336 23.744 1.00 0.00 H new ATOM 927 N TYR A 59 36.494 38.339 25.820 1.00 0.00 N ATOM 928 CA TYR A 59 37.184 38.764 27.020 1.00 0.00 C ATOM 929 C TYR A 59 36.379 39.740 27.880 1.00 0.00 C ATOM 930 O TYR A 59 36.906 40.239 28.873 1.00 0.00 O ATOM 931 CB TYR A 59 38.548 39.329 26.632 1.00 0.00 C ATOM 932 CG TYR A 59 39.458 38.274 26.049 1.00 0.00 C ATOM 933 CD1 TYR A 59 40.235 37.489 26.908 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.508 38.073 24.664 1.00 0.00 C ATOM 935 CE1 TYR A 59 41.063 36.488 26.384 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.323 37.069 24.129 1.00 0.00 C ATOM 937 CZ TYR A 59 41.093 36.265 24.993 1.00 0.00 C ATOM 938 OH TYR A 59 41.873 35.276 24.470 1.00 0.00 O ATOM 0 H TYR A 59 36.294 39.115 25.189 1.00 0.00 H new ATOM 0 HA TYR A 59 37.318 37.890 27.657 1.00 0.00 H new ATOM 0 HB2 TYR A 59 38.414 40.132 25.907 1.00 0.00 H new ATOM 0 HB3 TYR A 59 39.020 39.769 27.510 1.00 0.00 H new ATOM 0 HD1 TYR A 59 40.196 37.655 27.974 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.917 38.694 24.008 1.00 0.00 H new ATOM 0 HE1 TYR A 59 41.675 35.890 27.043 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.362 36.911 23.061 1.00 0.00 H new ATOM 0 HH TYR A 59 41.959 34.548 25.121 1.00 0.00 H new ATOM 948 N ASN A 60 35.119 40.003 27.549 1.00 0.00 N ATOM 949 CA ASN A 60 34.262 40.938 28.250 1.00 0.00 C ATOM 950 C ASN A 60 34.848 42.350 28.335 1.00 0.00 C ATOM 951 O ASN A 60 34.749 43.022 29.359 1.00 0.00 O ATOM 952 CB ASN A 60 33.829 40.336 29.584 1.00 0.00 C ATOM 953 CG ASN A 60 32.488 40.897 30.061 1.00 0.00 C ATOM 954 OD1 ASN A 60 32.408 41.791 30.901 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.385 40.359 29.545 1.00 0.00 N ATOM 0 H ASN A 60 34.656 39.554 26.759 1.00 0.00 H new ATOM 0 HA ASN A 60 33.356 41.092 27.665 1.00 0.00 H new ATOM 0 HB2 ASN A 60 33.754 39.253 29.485 1.00 0.00 H new ATOM 0 HB3 ASN A 60 34.593 40.535 30.336 1.00 0.00 H new ATOM 0 HD21 ASN A 60 30.468 40.688 29.846 1.00 0.00 H new ATOM 0 HD22 ASN A 60 31.457 39.617 28.848 1.00 0.00 H new ATOM 962 N ILE A 61 35.488 42.806 27.262 1.00 0.00 N ATOM 963 CA ILE A 61 36.057 44.135 27.162 1.00 0.00 C ATOM 964 C ILE A 61 34.924 45.109 26.831 1.00 0.00 C ATOM 965 O ILE A 61 34.441 45.163 25.702 1.00 0.00 O ATOM 966 CB ILE A 61 37.214 44.152 26.168 1.00 0.00 C ATOM 967 CG1 ILE A 61 38.365 43.271 26.644 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.726 45.574 25.952 1.00 0.00 C ATOM 969 CD1 ILE A 61 39.353 42.871 25.552 1.00 0.00 C ATOM 0 H ILE A 61 35.625 42.244 26.422 1.00 0.00 H new ATOM 0 HA ILE A 61 36.500 44.453 28.106 1.00 0.00 H new ATOM 0 HB ILE A 61 36.834 43.759 25.225 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.906 43.797 27.430 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.952 42.367 27.091 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.551 45.559 25.239 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.920 46.196 25.562 1.00 0.00 H new ATOM 0 HG23 ILE A 61 38.073 45.984 26.900 1.00 0.00 H new ATOM 0 HD11 ILE A 61 40.136 42.246 25.981 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.830 42.314 24.774 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.799 43.766 25.119 1.00 0.00 H new ATOM 981 N GLN A 62 34.460 45.831 27.847 1.00 0.00 N ATOM 982 CA GLN A 62 33.330 46.735 27.783 1.00 0.00 C ATOM 983 C GLN A 62 33.727 48.131 27.299 1.00 0.00 C ATOM 984 O GLN A 62 34.911 48.456 27.240 1.00 0.00 O ATOM 985 CB GLN A 62 32.654 46.812 29.150 1.00 0.00 C ATOM 986 CG GLN A 62 32.357 45.447 29.763 1.00 0.00 C ATOM 987 CD GLN A 62 31.498 45.496 31.029 1.00 0.00 C ATOM 988 OE1 GLN A 62 31.009 46.528 31.483 1.00 0.00 O ATOM 989 NE2 GLN A 62 31.299 44.351 31.676 1.00 0.00 N ATOM 0 H GLN A 62 34.884 45.796 28.774 1.00 0.00 H new ATOM 0 HA GLN A 62 32.628 46.337 27.050 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.293 47.375 29.830 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.722 47.368 29.054 1.00 0.00 H new ATOM 0 HG2 GLN A 62 31.852 44.830 29.019 1.00 0.00 H new ATOM 0 HG3 GLN A 62 33.301 44.954 29.998 1.00 0.00 H new ATOM 0 HE21 GLN A 62 31.697 43.485 31.314 1.00 0.00 H new ATOM 0 HE22 GLN A 62 30.748 44.339 32.534 1.00 0.00 H new ATOM 998 N LYS A 63 32.744 48.981 27.019 1.00 0.00 N ATOM 999 CA LYS A 63 32.930 50.375 26.666 1.00 0.00 C ATOM 1000 C LYS A 63 33.858 51.113 27.632 1.00 0.00 C ATOM 1001 O LYS A 63 33.674 51.050 28.846 1.00 0.00 O ATOM 1002 CB LYS A 63 31.576 51.058 26.503 1.00 0.00 C ATOM 1003 CG LYS A 63 30.690 51.068 27.746 1.00 0.00 C ATOM 1004 CD LYS A 63 29.264 51.501 27.420 1.00 0.00 C ATOM 1005 CE LYS A 63 28.319 51.425 28.616 1.00 0.00 C ATOM 1006 NZ LYS A 63 28.057 50.047 29.059 1.00 0.00 N ATOM 0 H LYS A 63 31.763 48.703 27.034 1.00 0.00 H new ATOM 0 HA LYS A 63 33.442 50.414 25.705 1.00 0.00 H new ATOM 0 HB2 LYS A 63 31.744 52.088 26.190 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.034 50.564 25.696 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.675 50.073 28.190 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.114 51.743 28.490 1.00 0.00 H new ATOM 0 HD2 LYS A 63 29.280 52.524 27.043 1.00 0.00 H new ATOM 0 HD3 LYS A 63 28.875 50.872 26.619 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.745 51.992 29.444 1.00 0.00 H new ATOM 0 HE3 LYS A 63 27.374 51.902 28.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 27.358 50.057 29.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 27.687 49.491 28.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 28.941 49.618 29.400 1.00 0.00 H new ATOM 1020 N GLU A 64 34.881 51.771 27.092 1.00 0.00 N ATOM 1021 CA GLU A 64 35.927 52.488 27.793 1.00 0.00 C ATOM 1022 C GLU A 64 36.667 51.694 28.871 1.00 0.00 C ATOM 1023 O GLU A 64 37.039 52.224 29.915 1.00 0.00 O ATOM 1024 CB GLU A 64 35.478 53.888 28.202 1.00 0.00 C ATOM 1025 CG GLU A 64 35.125 54.742 26.987 1.00 0.00 C ATOM 1026 CD GLU A 64 35.063 56.235 27.311 1.00 0.00 C ATOM 1027 OE1 GLU A 64 34.057 56.884 26.953 1.00 0.00 O ATOM 1028 OE2 GLU A 64 36.040 56.778 27.872 1.00 0.00 O ATOM 0 H GLU A 64 35.003 51.816 26.080 1.00 0.00 H new ATOM 0 HA GLU A 64 36.723 52.632 27.062 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.612 53.815 28.860 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.271 54.373 28.771 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.865 54.575 26.204 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.162 54.421 26.590 1.00 0.00 H new ATOM 1035 N SER A 65 36.936 50.420 28.592 1.00 0.00 N ATOM 1036 CA SER A 65 37.895 49.607 29.309 1.00 0.00 C ATOM 1037 C SER A 65 39.338 49.965 28.954 1.00 0.00 C ATOM 1038 O SER A 65 39.599 50.493 27.875 1.00 0.00 O ATOM 1039 CB SER A 65 37.668 48.125 29.025 1.00 0.00 C ATOM 1040 OG SER A 65 36.365 47.721 29.385 1.00 0.00 O ATOM 0 H SER A 65 36.473 49.916 27.835 1.00 0.00 H new ATOM 0 HA SER A 65 37.741 49.810 30.369 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.831 47.928 27.965 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.399 47.532 29.576 1.00 0.00 H new ATOM 0 HG SER A 65 35.739 47.960 28.670 1.00 0.00 H new ATOM 1046 N THR A 66 40.287 49.617 29.819 1.00 0.00 N ATOM 1047 CA THR A 66 41.711 49.782 29.612 1.00 0.00 C ATOM 1048 C THR A 66 42.405 48.426 29.467 1.00 0.00 C ATOM 1049 O THR A 66 42.260 47.545 30.312 1.00 0.00 O ATOM 1050 CB THR A 66 42.358 50.605 30.722 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.859 51.924 30.704 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.867 50.764 30.560 1.00 0.00 C ATOM 0 H THR A 66 40.068 49.194 30.721 1.00 0.00 H new ATOM 0 HA THR A 66 41.838 50.335 28.681 1.00 0.00 H new ATOM 0 HB THR A 66 42.129 50.063 31.640 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.280 52.443 31.421 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.261 51.360 31.384 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.339 49.781 30.565 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.081 51.265 29.616 1.00 0.00 H new ATOM 1060 N LEU A 67 43.213 48.286 28.419 1.00 0.00 N ATOM 1061 CA LEU A 67 44.049 47.136 28.138 1.00 0.00 C ATOM 1062 C LEU A 67 45.510 47.440 28.470 1.00 0.00 C ATOM 1063 O LEU A 67 45.999 48.535 28.198 1.00 0.00 O ATOM 1064 CB LEU A 67 43.911 46.731 26.673 1.00 0.00 C ATOM 1065 CG LEU A 67 42.493 46.569 26.134 1.00 0.00 C ATOM 1066 CD1 LEU A 67 42.542 46.100 24.683 1.00 0.00 C ATOM 1067 CD2 LEU A 67 41.669 45.559 26.929 1.00 0.00 C ATOM 0 H LEU A 67 43.302 49.013 27.710 1.00 0.00 H new ATOM 0 HA LEU A 67 43.720 46.307 28.764 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.422 47.477 26.065 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.438 45.788 26.530 1.00 0.00 H new ATOM 0 HG LEU A 67 42.016 47.545 26.221 1.00 0.00 H new ATOM 0 HD11 LEU A 67 41.527 45.986 24.303 1.00 0.00 H new ATOM 0 HD12 LEU A 67 43.074 46.836 24.081 1.00 0.00 H new ATOM 0 HD13 LEU A 67 43.060 45.143 24.627 1.00 0.00 H new ATOM 0 HD21 LEU A 67 40.670 45.486 26.499 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.153 44.583 26.890 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.595 45.886 27.966 1.00 0.00 H new ATOM 1079 N HIS A 68 46.244 46.463 28.996 1.00 0.00 N ATOM 1080 CA HIS A 68 47.685 46.527 29.128 1.00 0.00 C ATOM 1081 C HIS A 68 48.362 45.977 27.872 1.00 0.00 C ATOM 1082 O HIS A 68 47.963 44.931 27.366 1.00 0.00 O ATOM 1083 CB HIS A 68 48.141 45.756 30.364 1.00 0.00 C ATOM 1084 CG HIS A 68 47.859 46.422 31.683 1.00 0.00 C ATOM 1085 ND1 HIS A 68 48.833 46.968 32.515 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.647 46.489 32.322 1.00 0.00 C ATOM 1087 CE1 HIS A 68 48.200 47.384 33.614 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.890 47.097 33.537 1.00 0.00 N ATOM 0 H HIS A 68 45.842 45.594 29.346 1.00 0.00 H new ATOM 0 HA HIS A 68 47.976 47.571 29.246 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.658 44.779 30.360 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.214 45.582 30.287 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.696 46.137 31.950 1.00 0.00 H new ATOM 0 HE1 HIS A 68 48.674 47.881 34.447 1.00 0.00 H new ATOM 0 HE2 HIS A 68 46.193 47.295 34.255 1.00 0.00 H new ATOM 1096 N LEU A 69 49.409 46.649 27.403 1.00 0.00 N ATOM 1097 CA LEU A 69 50.260 46.222 26.311 1.00 0.00 C ATOM 1098 C LEU A 69 51.699 46.077 26.809 1.00 0.00 C ATOM 1099 O LEU A 69 52.221 46.974 27.467 1.00 0.00 O ATOM 1100 CB LEU A 69 50.121 47.227 25.171 1.00 0.00 C ATOM 1101 CG LEU A 69 51.117 47.090 24.022 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.002 45.777 23.254 1.00 0.00 C ATOM 1103 CD2 LEU A 69 50.908 48.226 23.026 1.00 0.00 C ATOM 0 H LEU A 69 49.695 47.546 27.796 1.00 0.00 H new ATOM 0 HA LEU A 69 49.961 45.244 25.933 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.114 47.143 24.762 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.214 48.230 25.586 1.00 0.00 H new ATOM 0 HG LEU A 69 52.104 47.120 24.483 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.743 45.757 22.455 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.177 44.942 23.932 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.003 45.693 22.825 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.620 48.127 22.206 1.00 0.00 H new ATOM 0 HD22 LEU A 69 49.893 48.182 22.632 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.062 49.182 23.527 1.00 0.00 H new ATOM 1115 N VAL A 70 52.356 44.977 26.450 1.00 0.00 N ATOM 1116 CA VAL A 70 53.753 44.695 26.707 1.00 0.00 C ATOM 1117 C VAL A 70 54.429 44.266 25.403 1.00 0.00 C ATOM 1118 O VAL A 70 53.839 43.558 24.590 1.00 0.00 O ATOM 1119 CB VAL A 70 53.924 43.655 27.810 1.00 0.00 C ATOM 1120 CG1 VAL A 70 55.391 43.504 28.204 1.00 0.00 C ATOM 1121 CG2 VAL A 70 53.151 44.009 29.077 1.00 0.00 C ATOM 0 H VAL A 70 51.896 44.220 25.944 1.00 0.00 H new ATOM 0 HA VAL A 70 54.238 45.601 27.069 1.00 0.00 H new ATOM 0 HB VAL A 70 53.534 42.726 27.393 1.00 0.00 H new ATOM 0 HG11 VAL A 70 55.481 42.756 28.992 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.970 43.188 27.336 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.771 44.460 28.566 1.00 0.00 H new ATOM 0 HG21 VAL A 70 53.309 43.235 29.828 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.503 44.966 29.463 1.00 0.00 H new ATOM 0 HG23 VAL A 70 52.088 44.080 28.847 1.00 0.00 H new ATOM 1131 N LEU A 71 55.659 44.719 25.179 1.00 0.00 N ATOM 1132 CA LEU A 71 56.430 44.456 23.980 1.00 0.00 C ATOM 1133 C LEU A 71 57.452 43.347 24.239 1.00 0.00 C ATOM 1134 O LEU A 71 58.318 43.498 25.097 1.00 0.00 O ATOM 1135 CB LEU A 71 57.117 45.739 23.524 1.00 0.00 C ATOM 1136 CG LEU A 71 56.243 46.736 22.768 1.00 0.00 C ATOM 1137 CD1 LEU A 71 55.059 47.273 23.566 1.00 0.00 C ATOM 1138 CD2 LEU A 71 57.112 47.919 22.348 1.00 0.00 C ATOM 0 H LEU A 71 56.158 45.299 25.854 1.00 0.00 H new ATOM 0 HA LEU A 71 55.763 44.117 23.187 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.528 46.239 24.401 1.00 0.00 H new ATOM 0 HB3 LEU A 71 57.960 45.469 22.887 1.00 0.00 H new ATOM 0 HG LEU A 71 55.825 46.195 21.919 1.00 0.00 H new ATOM 0 HD11 LEU A 71 54.494 47.974 22.951 1.00 0.00 H new ATOM 0 HD12 LEU A 71 54.413 46.446 23.860 1.00 0.00 H new ATOM 0 HD13 LEU A 71 55.423 47.784 24.458 1.00 0.00 H new ATOM 0 HD21 LEU A 71 56.504 48.643 21.806 1.00 0.00 H new ATOM 0 HD22 LEU A 71 57.535 48.392 23.234 1.00 0.00 H new ATOM 0 HD23 LEU A 71 57.918 47.568 21.704 1.00 0.00 H new ATOM 1150 N ARG A 72 57.387 42.250 23.489 1.00 0.00 N ATOM 1151 CA ARG A 72 58.345 41.166 23.557 1.00 0.00 C ATOM 1152 C ARG A 72 59.562 41.388 22.658 1.00 0.00 C ATOM 1153 O ARG A 72 59.426 41.793 21.504 1.00 0.00 O ATOM 1154 CB ARG A 72 57.648 39.837 23.283 1.00 0.00 C ATOM 1155 CG ARG A 72 56.836 39.362 24.484 1.00 0.00 C ATOM 1156 CD ARG A 72 55.964 38.147 24.180 1.00 0.00 C ATOM 1157 NE ARG A 72 56.728 37.058 23.569 1.00 0.00 N ATOM 1158 CZ ARG A 72 56.662 36.643 22.297 1.00 0.00 C ATOM 1159 NH1 ARG A 72 55.767 37.112 21.416 1.00 0.00 N ATOM 1160 NH2 ARG A 72 57.544 35.737 21.851 1.00 0.00 N ATOM 0 H ARG A 72 56.648 42.093 22.804 1.00 0.00 H new ATOM 0 HA ARG A 72 58.746 41.138 24.570 1.00 0.00 H new ATOM 0 HB2 ARG A 72 56.991 39.943 22.420 1.00 0.00 H new ATOM 0 HB3 ARG A 72 58.392 39.083 23.027 1.00 0.00 H new ATOM 0 HG2 ARG A 72 57.516 39.118 25.300 1.00 0.00 H new ATOM 0 HG3 ARG A 72 56.202 40.178 24.831 1.00 0.00 H new ATOM 0 HD2 ARG A 72 55.503 37.793 25.102 1.00 0.00 H new ATOM 0 HD3 ARG A 72 55.155 38.441 23.511 1.00 0.00 H new ATOM 0 HE ARG A 72 57.380 36.562 24.177 1.00 0.00 H new ATOM 0 HH11 ARG A 72 55.092 37.820 21.703 1.00 0.00 H new ATOM 0 HH12 ARG A 72 55.761 36.760 20.459 1.00 0.00 H new ATOM 0 HH21 ARG A 72 58.259 35.369 22.479 1.00 0.00 H new ATOM 0 HH22 ARG A 72 57.500 35.416 20.884 1.00 0.00 H new ATOM 1174 N LEU A 73 60.748 41.088 23.180 1.00 0.00 N ATOM 1175 CA LEU A 73 62.009 41.185 22.473 1.00 0.00 C ATOM 1176 C LEU A 73 62.200 40.004 21.519 1.00 0.00 C ATOM 1177 O LEU A 73 62.019 38.855 21.916 1.00 0.00 O ATOM 1178 CB LEU A 73 63.138 41.269 23.494 1.00 0.00 C ATOM 1179 CG LEU A 73 64.548 41.387 22.922 1.00 0.00 C ATOM 1180 CD1 LEU A 73 64.772 42.697 22.173 1.00 0.00 C ATOM 1181 CD2 LEU A 73 65.590 41.308 24.035 1.00 0.00 C ATOM 0 H LEU A 73 60.855 40.760 24.140 1.00 0.00 H new ATOM 0 HA LEU A 73 62.015 42.086 21.859 1.00 0.00 H new ATOM 0 HB2 LEU A 73 62.955 42.129 24.139 1.00 0.00 H new ATOM 0 HB3 LEU A 73 63.097 40.382 24.126 1.00 0.00 H new ATOM 0 HG LEU A 73 64.656 40.556 22.224 1.00 0.00 H new ATOM 0 HD11 LEU A 73 65.791 42.726 21.788 1.00 0.00 H new ATOM 0 HD12 LEU A 73 64.069 42.767 21.343 1.00 0.00 H new ATOM 0 HD13 LEU A 73 64.616 43.535 22.852 1.00 0.00 H new ATOM 0 HD21 LEU A 73 66.588 41.394 23.606 1.00 0.00 H new ATOM 0 HD22 LEU A 73 65.428 42.121 24.743 1.00 0.00 H new ATOM 0 HD23 LEU A 73 65.499 40.353 24.552 1.00 0.00 H new ATOM 1193 N ARG A 74 62.631 40.259 20.286 1.00 0.00 N ATOM 1194 CA ARG A 74 62.996 39.248 19.315 1.00 0.00 C ATOM 1195 C ARG A 74 64.507 39.132 19.105 1.00 0.00 C ATOM 1196 O ARG A 74 65.008 38.016 18.992 1.00 0.00 O ATOM 1197 CB ARG A 74 62.256 39.548 18.014 1.00 0.00 C ATOM 1198 CG ARG A 74 62.201 38.337 17.088 1.00 0.00 C ATOM 1199 CD ARG A 74 61.599 38.695 15.732 1.00 0.00 C ATOM 1200 NE ARG A 74 62.524 39.494 14.929 1.00 0.00 N ATOM 1201 CZ ARG A 74 62.533 40.822 14.748 1.00 0.00 C ATOM 1202 NH1 ARG A 74 61.602 41.640 15.258 1.00 0.00 N ATOM 1203 NH2 ARG A 74 63.515 41.380 14.027 1.00 0.00 N ATOM 0 H ARG A 74 62.737 41.209 19.930 1.00 0.00 H new ATOM 0 HA ARG A 74 62.697 38.271 19.696 1.00 0.00 H new ATOM 0 HB2 ARG A 74 61.241 39.875 18.242 1.00 0.00 H new ATOM 0 HB3 ARG A 74 62.749 40.374 17.500 1.00 0.00 H new ATOM 0 HG2 ARG A 74 63.206 37.940 16.947 1.00 0.00 H new ATOM 0 HG3 ARG A 74 61.609 37.549 17.553 1.00 0.00 H new ATOM 0 HD2 ARG A 74 61.343 37.782 15.194 1.00 0.00 H new ATOM 0 HD3 ARG A 74 60.672 39.249 15.879 1.00 0.00 H new ATOM 0 HE ARG A 74 63.256 38.974 14.445 1.00 0.00 H new ATOM 0 HH11 ARG A 74 60.838 41.258 15.815 1.00 0.00 H new ATOM 0 HH12 ARG A 74 61.658 42.644 15.089 1.00 0.00 H new ATOM 0 HH21 ARG A 74 64.246 40.795 13.622 1.00 0.00 H new ATOM 0 HH22 ARG A 74 63.531 42.390 13.883 1.00 0.00 H new ATOM 1217 N GLY A 75 65.219 40.256 19.100 1.00 0.00 N ATOM 1218 CA GLY A 75 66.666 40.323 19.084 1.00 0.00 C ATOM 1219 C GLY A 75 67.347 39.940 17.768 1.00 0.00 C ATOM 1220 O GLY A 75 66.702 39.736 16.742 1.00 0.00 O ATOM 0 H GLY A 75 64.781 41.177 19.107 1.00 0.00 H new ATOM 0 HA2 GLY A 75 66.964 41.339 19.341 1.00 0.00 H new ATOM 0 HA3 GLY A 75 67.048 39.671 19.869 1.00 0.00 H new ATOM 1224 N GLY A 76 68.673 39.837 17.797 1.00 0.00 N ATOM 1225 CA GLY A 76 69.505 39.445 16.678 1.00 0.00 C ATOM 1226 C GLY A 76 70.999 39.454 17.004 1.00 0.00 C ATOM 1227 O GLY A 76 71.598 38.358 17.077 1.00 0.00 O ATOM 1228 OXT GLY A 76 71.570 40.559 17.126 1.00 0.00 O ATOM 0 H GLY A 76 69.214 40.034 18.639 1.00 0.00 H new ATOM 0 HA2 GLY A 76 69.217 38.445 16.352 1.00 0.00 H new ATOM 0 HA3 GLY A 76 69.318 40.119 15.842 1.00 0.00 H new TER 1232 GLY A 76