USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 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= 0.924 K(o=2,f=-1.2) USER MOD Set 1.2: A 62 GLN : amide:sc= 1.09 K(o=2,f=-0.49) USER MOD Set 2.1: A 55 THR OG1 : rot -77:sc= 1.39 USER MOD Set 2.2: A 57 SER OG : rot -30:sc= 0.147 USER MOD Set 3.1: A 7 THR OG1 : rot -143:sc= 0.398 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -170:sc= 1.6 (180deg=1.51) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 156:sc= 1.18 (180deg=0.105!) USER MOD Single : A 12 THR OG1 : rot 170:sc= -0.0199 USER MOD Single : A 14 THR OG1 : rot -79:sc= 0.165 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.413 USER MOD Single : A 25 ASN : amide:sc= 0.934 K(o=0.93,f=-0.33) USER MOD Single : A 27 LYS NZ :NH3+ -179:sc= 1.1 (180deg=1.1) USER MOD Single : A 29 LYS NZ :NH3+ -176:sc= 2.5 (180deg=2.37) USER MOD Single : A 31 GLN : amide:sc= -0.221 X(o=-0.22,f=-0.52) USER MOD Single : A 33 LYS NZ :NH3+ -177:sc= 1.13 (180deg=1.13) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 41 GLN : amide:sc= 0.85 K(o=0.85,f=-2.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 59 TYR OH : rot 100:sc= 0.443 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0514 X(o=-0.051,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.680 51.985 19.677 1.00 0.00 N ATOM 2 CA MET A 1 32.994 52.337 21.070 1.00 0.00 C ATOM 3 C MET A 1 34.492 52.620 21.201 1.00 0.00 C ATOM 4 O MET A 1 35.269 52.084 20.413 1.00 0.00 O ATOM 5 CB MET A 1 32.533 51.275 22.065 1.00 0.00 C ATOM 6 CG MET A 1 33.276 49.944 21.982 1.00 0.00 C ATOM 7 SD MET A 1 32.664 48.697 23.142 1.00 0.00 S ATOM 8 CE MET A 1 33.864 47.378 22.833 1.00 0.00 C ATOM 0 H1 MET A 1 31.648 51.959 19.550 1.00 0.00 H new ATOM 0 H2 MET A 1 33.090 52.696 19.038 1.00 0.00 H new ATOM 0 H3 MET A 1 33.080 51.051 19.456 1.00 0.00 H new ATOM 0 HA MET A 1 32.437 53.239 21.322 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.643 51.672 23.074 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.470 51.090 21.909 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.194 49.555 20.967 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.335 50.117 22.173 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.636 46.523 23.469 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.812 47.076 21.787 1.00 0.00 H new ATOM 0 HE3 MET A 1 34.868 47.739 23.057 1.00 0.00 H new ATOM 20 N GLN A 2 34.921 53.397 22.191 1.00 0.00 N ATOM 21 CA GLN A 2 36.328 53.612 22.461 1.00 0.00 C ATOM 22 C GLN A 2 36.835 52.764 23.630 1.00 0.00 C ATOM 23 O GLN A 2 36.085 52.480 24.561 1.00 0.00 O ATOM 24 CB GLN A 2 36.647 55.096 22.620 1.00 0.00 C ATOM 25 CG GLN A 2 36.431 55.869 21.323 1.00 0.00 C ATOM 26 CD GLN A 2 37.059 57.264 21.350 1.00 0.00 C ATOM 27 OE1 GLN A 2 38.184 57.471 20.901 1.00 0.00 O ATOM 28 NE2 GLN A 2 36.378 58.272 21.886 1.00 0.00 N ATOM 0 H GLN A 2 34.297 53.894 22.827 1.00 0.00 H new ATOM 0 HA GLN A 2 36.880 53.266 21.587 1.00 0.00 H new ATOM 0 HB2 GLN A 2 36.019 55.520 23.404 1.00 0.00 H new ATOM 0 HB3 GLN A 2 37.682 55.212 22.943 1.00 0.00 H new ATOM 0 HG2 GLN A 2 36.853 55.302 20.493 1.00 0.00 H new ATOM 0 HG3 GLN A 2 35.361 55.961 21.135 1.00 0.00 H new ATOM 0 HE21 GLN A 2 35.443 58.113 22.262 1.00 0.00 H new ATOM 0 HE22 GLN A 2 36.790 59.204 21.921 1.00 0.00 H new ATOM 37 N ILE A 3 38.104 52.368 23.584 1.00 0.00 N ATOM 38 CA ILE A 3 38.812 51.646 24.622 1.00 0.00 C ATOM 39 C ILE A 3 40.209 52.232 24.836 1.00 0.00 C ATOM 40 O ILE A 3 40.754 52.868 23.937 1.00 0.00 O ATOM 41 CB ILE A 3 38.889 50.149 24.338 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.607 49.838 23.027 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.501 49.519 24.394 1.00 0.00 C ATOM 44 CD1 ILE A 3 39.952 48.367 22.815 1.00 0.00 C ATOM 0 H ILE A 3 38.694 52.556 22.773 1.00 0.00 H new ATOM 0 HA ILE A 3 38.239 51.767 25.542 1.00 0.00 H new ATOM 0 HB ILE A 3 39.495 49.698 25.124 1.00 0.00 H new ATOM 0 HG12 ILE A 3 38.981 50.172 22.199 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.527 50.421 22.987 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.578 48.451 24.189 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.073 49.668 25.385 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.859 49.987 23.648 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.459 48.247 21.858 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.607 48.027 23.618 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.037 47.775 22.818 1.00 0.00 H new ATOM 56 N PHE A 4 40.810 51.972 25.994 1.00 0.00 N ATOM 57 CA PHE A 4 42.138 52.444 26.333 1.00 0.00 C ATOM 58 C PHE A 4 43.155 51.302 26.391 1.00 0.00 C ATOM 59 O PHE A 4 42.868 50.239 26.936 1.00 0.00 O ATOM 60 CB PHE A 4 42.097 53.214 27.651 1.00 0.00 C ATOM 61 CG PHE A 4 41.111 54.356 27.691 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.270 55.450 26.832 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.043 54.337 28.596 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.368 56.520 26.868 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.139 55.405 28.638 1.00 0.00 C ATOM 66 CZ PHE A 4 39.300 56.493 27.772 1.00 0.00 C ATOM 0 H PHE A 4 40.376 51.418 26.732 1.00 0.00 H new ATOM 0 HA PHE A 4 42.468 53.117 25.542 1.00 0.00 H new ATOM 0 HB2 PHE A 4 41.856 52.518 28.454 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.093 53.606 27.857 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.095 55.469 26.136 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.916 53.497 29.263 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.496 57.361 26.202 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.317 55.390 29.339 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.598 57.314 27.802 1.00 0.00 H new ATOM 76 N VAL A 5 44.362 51.532 25.880 1.00 0.00 N ATOM 77 CA VAL A 5 45.488 50.622 25.953 1.00 0.00 C ATOM 78 C VAL A 5 46.669 51.325 26.625 1.00 0.00 C ATOM 79 O VAL A 5 47.054 52.407 26.189 1.00 0.00 O ATOM 80 CB VAL A 5 45.872 50.090 24.575 1.00 0.00 C ATOM 81 CG1 VAL A 5 46.996 49.063 24.670 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.700 49.405 23.878 1.00 0.00 C ATOM 0 H VAL A 5 44.585 52.395 25.384 1.00 0.00 H new ATOM 0 HA VAL A 5 45.200 49.759 26.553 1.00 0.00 H new ATOM 0 HB VAL A 5 46.190 50.961 24.002 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.246 48.704 23.672 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.875 49.526 25.120 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.672 48.225 25.287 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.019 49.042 22.901 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.357 48.565 24.483 1.00 0.00 H new ATOM 0 HG23 VAL A 5 43.885 50.118 23.752 1.00 0.00 H new ATOM 92 N LYS A 6 47.249 50.722 27.658 1.00 0.00 N ATOM 93 CA LYS A 6 48.383 51.241 28.397 1.00 0.00 C ATOM 94 C LYS A 6 49.649 50.396 28.237 1.00 0.00 C ATOM 95 O LYS A 6 49.588 49.169 28.259 1.00 0.00 O ATOM 96 CB LYS A 6 48.027 51.406 29.871 1.00 0.00 C ATOM 97 CG LYS A 6 47.020 52.536 30.073 1.00 0.00 C ATOM 98 CD LYS A 6 46.782 52.812 31.555 1.00 0.00 C ATOM 99 CE LYS A 6 45.814 53.981 31.723 1.00 0.00 C ATOM 100 NZ LYS A 6 45.459 54.179 33.137 1.00 0.00 N ATOM 0 H LYS A 6 46.925 49.823 28.013 1.00 0.00 H new ATOM 0 HA LYS A 6 48.612 52.217 27.969 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.613 50.473 30.254 1.00 0.00 H new ATOM 0 HB3 LYS A 6 48.930 51.613 30.445 1.00 0.00 H new ATOM 0 HG2 LYS A 6 47.384 53.441 29.587 1.00 0.00 H new ATOM 0 HG3 LYS A 6 46.076 52.274 29.594 1.00 0.00 H new ATOM 0 HD2 LYS A 6 46.377 51.923 32.038 1.00 0.00 H new ATOM 0 HD3 LYS A 6 47.728 53.039 32.047 1.00 0.00 H new ATOM 0 HE2 LYS A 6 46.266 54.891 31.328 1.00 0.00 H new ATOM 0 HE3 LYS A 6 44.911 53.795 31.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 44.800 54.980 33.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 45.006 53.318 33.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 46.319 54.379 33.686 1.00 0.00 H new ATOM 114 N THR A 7 50.801 51.043 28.095 1.00 0.00 N ATOM 115 CA THR A 7 52.089 50.384 28.010 1.00 0.00 C ATOM 116 C THR A 7 52.761 50.248 29.378 1.00 0.00 C ATOM 117 O THR A 7 52.393 50.929 30.334 1.00 0.00 O ATOM 118 CB THR A 7 53.014 51.066 27.006 1.00 0.00 C ATOM 119 OG1 THR A 7 53.489 52.301 27.491 1.00 0.00 O ATOM 120 CG2 THR A 7 52.354 51.327 25.655 1.00 0.00 C ATOM 0 H THR A 7 50.861 52.059 28.035 1.00 0.00 H new ATOM 0 HA THR A 7 51.895 49.376 27.644 1.00 0.00 H new ATOM 0 HB THR A 7 53.836 50.363 26.869 1.00 0.00 H new ATOM 0 HG1 THR A 7 53.546 52.942 26.752 1.00 0.00 H new ATOM 0 HG21 THR A 7 53.067 51.814 24.990 1.00 0.00 H new ATOM 0 HG22 THR A 7 52.036 50.381 25.217 1.00 0.00 H new ATOM 0 HG23 THR A 7 51.487 51.973 25.792 1.00 0.00 H new ATOM 128 N LEU A 8 53.769 49.388 29.495 1.00 0.00 N ATOM 129 CA LEU A 8 54.537 49.233 30.713 1.00 0.00 C ATOM 130 C LEU A 8 55.529 50.367 30.981 1.00 0.00 C ATOM 131 O LEU A 8 56.114 50.423 32.060 1.00 0.00 O ATOM 132 CB LEU A 8 55.218 47.868 30.751 1.00 0.00 C ATOM 133 CG LEU A 8 54.305 46.652 30.612 1.00 0.00 C ATOM 134 CD1 LEU A 8 55.101 45.391 30.938 1.00 0.00 C ATOM 135 CD2 LEU A 8 53.085 46.681 31.528 1.00 0.00 C ATOM 0 H LEU A 8 54.073 48.777 28.737 1.00 0.00 H new ATOM 0 HA LEU A 8 53.818 49.292 31.530 1.00 0.00 H new ATOM 0 HB2 LEU A 8 55.959 47.833 29.952 1.00 0.00 H new ATOM 0 HB3 LEU A 8 55.761 47.783 31.692 1.00 0.00 H new ATOM 0 HG LEU A 8 53.942 46.664 29.584 1.00 0.00 H new ATOM 0 HD11 LEU A 8 54.456 44.518 30.841 1.00 0.00 H new ATOM 0 HD12 LEU A 8 55.939 45.301 30.247 1.00 0.00 H new ATOM 0 HD13 LEU A 8 55.477 45.452 31.959 1.00 0.00 H new ATOM 0 HD21 LEU A 8 52.489 45.783 31.368 1.00 0.00 H new ATOM 0 HD22 LEU A 8 53.411 46.720 32.567 1.00 0.00 H new ATOM 0 HD23 LEU A 8 52.483 47.561 31.304 1.00 0.00 H new ATOM 147 N THR A 9 55.684 51.297 30.043 1.00 0.00 N ATOM 148 CA THR A 9 56.382 52.554 30.214 1.00 0.00 C ATOM 149 C THR A 9 55.444 53.760 30.136 1.00 0.00 C ATOM 150 O THR A 9 55.843 54.858 29.753 1.00 0.00 O ATOM 151 CB THR A 9 57.597 52.679 29.298 1.00 0.00 C ATOM 152 OG1 THR A 9 57.209 52.556 27.947 1.00 0.00 O ATOM 153 CG2 THR A 9 58.665 51.617 29.545 1.00 0.00 C ATOM 0 H THR A 9 55.307 51.183 29.102 1.00 0.00 H new ATOM 0 HA THR A 9 56.777 52.551 31.230 1.00 0.00 H new ATOM 0 HB THR A 9 58.018 53.660 29.520 1.00 0.00 H new ATOM 0 HG1 THR A 9 57.998 52.640 27.371 1.00 0.00 H new ATOM 0 HG21 THR A 9 59.497 51.770 28.857 1.00 0.00 H new ATOM 0 HG22 THR A 9 59.024 51.694 30.571 1.00 0.00 H new ATOM 0 HG23 THR A 9 58.238 50.627 29.383 1.00 0.00 H new ATOM 161 N GLY A 10 54.179 53.574 30.500 1.00 0.00 N ATOM 162 CA GLY A 10 53.283 54.650 30.871 1.00 0.00 C ATOM 163 C GLY A 10 52.779 55.545 29.736 1.00 0.00 C ATOM 164 O GLY A 10 52.524 56.721 29.987 1.00 0.00 O ATOM 0 H GLY A 10 53.745 52.652 30.544 1.00 0.00 H new ATOM 0 HA2 GLY A 10 52.418 54.215 31.372 1.00 0.00 H new ATOM 0 HA3 GLY A 10 53.791 55.280 31.601 1.00 0.00 H new ATOM 168 N LYS A 11 52.638 55.037 28.514 1.00 0.00 N ATOM 169 CA LYS A 11 51.854 55.685 27.482 1.00 0.00 C ATOM 170 C LYS A 11 50.441 55.099 27.469 1.00 0.00 C ATOM 171 O LYS A 11 50.295 53.879 27.491 1.00 0.00 O ATOM 172 CB LYS A 11 52.528 55.592 26.116 1.00 0.00 C ATOM 173 CG LYS A 11 51.850 56.510 25.103 1.00 0.00 C ATOM 174 CD LYS A 11 52.525 56.549 23.734 1.00 0.00 C ATOM 175 CE LYS A 11 51.850 57.594 22.851 1.00 0.00 C ATOM 176 NZ LYS A 11 52.372 57.597 21.475 1.00 0.00 N ATOM 0 H LYS A 11 53.068 54.161 28.217 1.00 0.00 H new ATOM 0 HA LYS A 11 51.784 56.748 27.710 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.580 55.861 26.208 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.492 54.563 25.759 1.00 0.00 H new ATOM 0 HG2 LYS A 11 50.816 56.189 24.975 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.822 57.521 25.509 1.00 0.00 H new ATOM 0 HD2 LYS A 11 53.583 56.785 23.847 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.466 55.568 23.262 1.00 0.00 H new ATOM 0 HE2 LYS A 11 50.777 57.406 22.828 1.00 0.00 H new ATOM 0 HE3 LYS A 11 51.991 58.581 23.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 51.657 57.994 20.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 53.235 58.176 21.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 52.594 56.623 21.186 1.00 0.00 H new ATOM 190 N THR A 12 49.426 55.954 27.378 1.00 0.00 N ATOM 191 CA THR A 12 48.042 55.575 27.178 1.00 0.00 C ATOM 192 C THR A 12 47.609 55.949 25.758 1.00 0.00 C ATOM 193 O THR A 12 47.881 57.052 25.293 1.00 0.00 O ATOM 194 CB THR A 12 47.124 56.224 28.210 1.00 0.00 C ATOM 195 OG1 THR A 12 47.631 55.984 29.504 1.00 0.00 O ATOM 196 CG2 THR A 12 45.713 55.643 28.191 1.00 0.00 C ATOM 0 H THR A 12 49.556 56.964 27.445 1.00 0.00 H new ATOM 0 HA THR A 12 47.960 54.496 27.309 1.00 0.00 H new ATOM 0 HB THR A 12 47.084 57.285 27.961 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.141 56.529 30.154 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.104 56.142 28.945 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.270 55.796 27.207 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.756 54.576 28.407 1.00 0.00 H new ATOM 204 N ILE A 13 46.948 55.021 25.072 1.00 0.00 N ATOM 205 CA ILE A 13 46.503 55.128 23.697 1.00 0.00 C ATOM 206 C ILE A 13 45.004 54.825 23.636 1.00 0.00 C ATOM 207 O ILE A 13 44.572 53.819 24.197 1.00 0.00 O ATOM 208 CB ILE A 13 47.304 54.190 22.798 1.00 0.00 C ATOM 209 CG1 ILE A 13 48.804 54.467 22.848 1.00 0.00 C ATOM 210 CG2 ILE A 13 46.843 54.310 21.348 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.571 53.581 23.825 1.00 0.00 C ATOM 0 H ILE A 13 46.697 54.125 25.490 1.00 0.00 H new ATOM 0 HA ILE A 13 46.672 56.141 23.331 1.00 0.00 H new ATOM 0 HB ILE A 13 47.124 53.183 23.176 1.00 0.00 H new ATOM 0 HG12 ILE A 13 49.220 54.333 21.850 1.00 0.00 H new ATOM 0 HG13 ILE A 13 48.961 55.510 23.121 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.426 53.633 20.724 1.00 0.00 H new ATOM 0 HG22 ILE A 13 45.787 54.048 21.279 1.00 0.00 H new ATOM 0 HG23 ILE A 13 46.986 55.335 21.004 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.629 53.842 23.799 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.184 53.731 24.833 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.448 52.536 23.542 1.00 0.00 H new ATOM 223 N THR A 14 44.222 55.646 22.942 1.00 0.00 N ATOM 224 CA THR A 14 42.810 55.403 22.729 1.00 0.00 C ATOM 225 C THR A 14 42.572 54.768 21.358 1.00 0.00 C ATOM 226 O THR A 14 43.111 55.242 20.360 1.00 0.00 O ATOM 227 CB THR A 14 41.960 56.662 22.879 1.00 0.00 C ATOM 228 OG1 THR A 14 42.321 57.375 24.041 1.00 0.00 O ATOM 229 CG2 THR A 14 40.480 56.326 23.037 1.00 0.00 C ATOM 0 H THR A 14 44.560 56.506 22.510 1.00 0.00 H new ATOM 0 HA THR A 14 42.495 54.711 23.510 1.00 0.00 H new ATOM 0 HB THR A 14 42.131 57.249 21.977 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.920 56.946 24.826 1.00 0.00 H new ATOM 0 HG21 THR A 14 39.907 57.247 23.141 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.135 55.781 22.158 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.340 55.709 23.925 1.00 0.00 H new ATOM 237 N LEU A 15 41.762 53.713 21.304 1.00 0.00 N ATOM 238 CA LEU A 15 41.362 53.035 20.088 1.00 0.00 C ATOM 239 C LEU A 15 39.846 53.081 19.897 1.00 0.00 C ATOM 240 O LEU A 15 39.104 53.134 20.877 1.00 0.00 O ATOM 241 CB LEU A 15 41.856 51.592 20.092 1.00 0.00 C ATOM 242 CG LEU A 15 43.345 51.365 20.336 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.622 49.865 20.335 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.249 52.001 19.284 1.00 0.00 C ATOM 0 H LEU A 15 41.355 53.297 22.141 1.00 0.00 H new ATOM 0 HA LEU A 15 41.820 53.559 19.249 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.302 51.047 20.856 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.599 51.144 19.132 1.00 0.00 H new ATOM 0 HG LEU A 15 43.572 51.835 21.293 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.684 49.691 20.509 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.042 49.387 21.125 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.338 49.443 19.371 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.291 51.795 19.528 1.00 0.00 H new ATOM 0 HD22 LEU A 15 44.016 51.584 18.304 1.00 0.00 H new ATOM 0 HD23 LEU A 15 44.086 53.079 19.268 1.00 0.00 H new ATOM 256 N GLU A 16 39.391 52.994 18.651 1.00 0.00 N ATOM 257 CA GLU A 16 37.999 52.861 18.270 1.00 0.00 C ATOM 258 C GLU A 16 37.746 51.446 17.747 1.00 0.00 C ATOM 259 O GLU A 16 38.478 50.947 16.894 1.00 0.00 O ATOM 260 CB GLU A 16 37.642 53.957 17.269 1.00 0.00 C ATOM 261 CG GLU A 16 36.326 53.804 16.512 1.00 0.00 C ATOM 262 CD GLU A 16 35.065 53.937 17.367 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.759 55.051 17.845 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.310 52.948 17.487 1.00 0.00 O ATOM 0 H GLU A 16 40.016 53.016 17.846 1.00 0.00 H new ATOM 0 HA GLU A 16 37.342 52.996 19.130 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.617 54.907 17.802 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.447 54.023 16.538 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.291 54.554 15.721 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.316 52.828 16.027 1.00 0.00 H new ATOM 271 N VAL A 17 36.740 50.771 18.295 1.00 0.00 N ATOM 272 CA VAL A 17 36.489 49.352 18.141 1.00 0.00 C ATOM 273 C VAL A 17 34.992 49.042 18.171 1.00 0.00 C ATOM 274 O VAL A 17 34.180 49.838 18.637 1.00 0.00 O ATOM 275 CB VAL A 17 37.192 48.546 19.229 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.714 48.624 19.146 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.758 48.964 20.631 1.00 0.00 C ATOM 0 H VAL A 17 36.046 51.227 18.887 1.00 0.00 H new ATOM 0 HA VAL A 17 36.889 49.064 17.169 1.00 0.00 H new ATOM 0 HB VAL A 17 36.888 47.515 19.046 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.153 48.030 19.947 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.046 48.236 18.183 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.031 49.662 19.248 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.286 48.362 21.370 1.00 0.00 H new ATOM 0 HG22 VAL A 17 36.993 50.017 20.786 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.684 48.813 20.740 1.00 0.00 H new ATOM 287 N GLU A 18 34.622 47.838 17.743 1.00 0.00 N ATOM 288 CA GLU A 18 33.319 47.251 17.985 1.00 0.00 C ATOM 289 C GLU A 18 33.471 46.033 18.899 1.00 0.00 C ATOM 290 O GLU A 18 34.539 45.425 18.903 1.00 0.00 O ATOM 291 CB GLU A 18 32.670 46.854 16.663 1.00 0.00 C ATOM 292 CG GLU A 18 32.453 47.990 15.667 1.00 0.00 C ATOM 293 CD GLU A 18 31.471 49.056 16.153 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.375 48.713 16.650 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.750 50.262 15.978 1.00 0.00 O ATOM 0 H GLU A 18 35.241 47.232 17.204 1.00 0.00 H new ATOM 0 HA GLU A 18 32.676 47.982 18.475 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.290 46.093 16.189 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.706 46.393 16.876 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.412 48.462 15.454 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.088 47.573 14.728 1.00 0.00 H new ATOM 302 N PRO A 19 32.452 45.600 19.637 1.00 0.00 N ATOM 303 CA PRO A 19 32.496 44.378 20.414 1.00 0.00 C ATOM 304 C PRO A 19 32.941 43.124 19.660 1.00 0.00 C ATOM 305 O PRO A 19 33.565 42.243 20.249 1.00 0.00 O ATOM 306 CB PRO A 19 31.085 44.212 20.973 1.00 0.00 C ATOM 307 CG PRO A 19 30.604 45.651 21.133 1.00 0.00 C ATOM 308 CD PRO A 19 31.237 46.335 19.923 1.00 0.00 C ATOM 0 HA PRO A 19 33.264 44.477 21.181 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.446 43.647 20.294 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.088 43.680 21.924 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.516 45.721 21.119 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.939 46.091 22.072 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.561 46.319 19.068 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.455 47.381 20.137 1.00 0.00 H new ATOM 316 N SER A 20 32.658 43.035 18.364 1.00 0.00 N ATOM 317 CA SER A 20 33.090 41.961 17.492 1.00 0.00 C ATOM 318 C SER A 20 34.521 42.080 16.964 1.00 0.00 C ATOM 319 O SER A 20 34.962 41.205 16.220 1.00 0.00 O ATOM 320 CB SER A 20 32.109 41.807 16.334 1.00 0.00 C ATOM 321 OG SER A 20 32.014 42.985 15.566 1.00 0.00 O ATOM 0 H SER A 20 32.100 43.738 17.879 1.00 0.00 H new ATOM 0 HA SER A 20 33.097 41.068 18.117 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.427 40.982 15.696 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.125 41.547 16.724 1.00 0.00 H new ATOM 0 HG SER A 20 31.378 42.847 14.833 1.00 0.00 H new ATOM 327 N ASP A 21 35.264 43.133 17.288 1.00 0.00 N ATOM 328 CA ASP A 21 36.589 43.377 16.755 1.00 0.00 C ATOM 329 C ASP A 21 37.639 42.485 17.418 1.00 0.00 C ATOM 330 O ASP A 21 37.625 42.295 18.633 1.00 0.00 O ATOM 331 CB ASP A 21 36.914 44.866 16.852 1.00 0.00 C ATOM 332 CG ASP A 21 37.984 45.341 15.868 1.00 0.00 C ATOM 333 OD1 ASP A 21 38.537 46.439 16.090 1.00 0.00 O ATOM 334 OD2 ASP A 21 38.192 44.690 14.821 1.00 0.00 O ATOM 0 H ASP A 21 34.951 43.851 17.941 1.00 0.00 H new ATOM 0 HA ASP A 21 36.607 43.105 15.700 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.001 45.437 16.682 1.00 0.00 H new ATOM 0 HB3 ASP A 21 37.245 45.089 17.866 1.00 0.00 H new ATOM 339 N THR A 22 38.553 41.910 16.642 1.00 0.00 N ATOM 340 CA THR A 22 39.443 40.860 17.099 1.00 0.00 C ATOM 341 C THR A 22 40.720 41.369 17.770 1.00 0.00 C ATOM 342 O THR A 22 41.091 42.532 17.634 1.00 0.00 O ATOM 343 CB THR A 22 39.813 39.863 16.004 1.00 0.00 C ATOM 344 OG1 THR A 22 40.731 40.430 15.098 1.00 0.00 O ATOM 345 CG2 THR A 22 38.618 39.356 15.202 1.00 0.00 C ATOM 0 H THR A 22 38.694 42.167 15.665 1.00 0.00 H new ATOM 0 HA THR A 22 38.852 40.345 17.856 1.00 0.00 H new ATOM 0 HB THR A 22 40.251 39.016 16.532 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.955 39.774 14.406 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.961 38.652 14.444 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.917 38.856 15.870 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.121 40.197 14.718 1.00 0.00 H new ATOM 353 N ILE A 23 41.419 40.494 18.487 1.00 0.00 N ATOM 354 CA ILE A 23 42.693 40.820 19.094 1.00 0.00 C ATOM 355 C ILE A 23 43.728 41.162 18.020 1.00 0.00 C ATOM 356 O ILE A 23 44.470 42.128 18.182 1.00 0.00 O ATOM 357 CB ILE A 23 43.134 39.703 20.036 1.00 0.00 C ATOM 358 CG1 ILE A 23 42.491 39.790 21.418 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.641 39.690 20.277 1.00 0.00 C ATOM 360 CD1 ILE A 23 40.973 39.642 21.477 1.00 0.00 C ATOM 0 H ILE A 23 41.111 39.537 18.660 1.00 0.00 H new ATOM 0 HA ILE A 23 42.589 41.714 19.708 1.00 0.00 H new ATOM 0 HB ILE A 23 42.813 38.799 19.519 1.00 0.00 H new ATOM 0 HG12 ILE A 23 42.933 39.018 22.048 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.757 40.752 21.857 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.894 38.874 20.954 1.00 0.00 H new ATOM 0 HG22 ILE A 23 45.160 39.549 19.329 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.947 40.638 20.720 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.640 39.722 22.512 1.00 0.00 H new ATOM 0 HD12 ILE A 23 40.507 40.429 20.884 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.687 38.669 21.078 1.00 0.00 H new ATOM 372 N GLU A 24 43.774 40.455 16.895 1.00 0.00 N ATOM 373 CA GLU A 24 44.675 40.787 15.809 1.00 0.00 C ATOM 374 C GLU A 24 44.313 42.099 15.110 1.00 0.00 C ATOM 375 O GLU A 24 45.208 42.874 14.779 1.00 0.00 O ATOM 376 CB GLU A 24 44.752 39.657 14.787 1.00 0.00 C ATOM 377 CG GLU A 24 45.480 38.438 15.346 1.00 0.00 C ATOM 378 CD GLU A 24 45.602 37.324 14.305 1.00 0.00 C ATOM 379 OE1 GLU A 24 44.557 36.843 13.814 1.00 0.00 O ATOM 380 OE2 GLU A 24 46.735 36.915 13.972 1.00 0.00 O ATOM 0 H GLU A 24 43.188 39.640 16.716 1.00 0.00 H new ATOM 0 HA GLU A 24 45.655 40.923 16.267 1.00 0.00 H new ATOM 0 HB2 GLU A 24 43.745 39.372 14.484 1.00 0.00 H new ATOM 0 HB3 GLU A 24 45.266 40.010 13.893 1.00 0.00 H new ATOM 0 HG2 GLU A 24 46.474 38.731 15.683 1.00 0.00 H new ATOM 0 HG3 GLU A 24 44.945 38.063 16.219 1.00 0.00 H new ATOM 387 N ASN A 25 43.027 42.402 14.955 1.00 0.00 N ATOM 388 CA ASN A 25 42.594 43.688 14.446 1.00 0.00 C ATOM 389 C ASN A 25 43.041 44.834 15.354 1.00 0.00 C ATOM 390 O ASN A 25 43.477 45.870 14.856 1.00 0.00 O ATOM 391 CB ASN A 25 41.077 43.701 14.276 1.00 0.00 C ATOM 392 CG ASN A 25 40.553 42.865 13.106 1.00 0.00 C ATOM 393 OD1 ASN A 25 41.280 42.249 12.330 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.231 42.835 12.958 1.00 0.00 N ATOM 0 H ASN A 25 42.264 41.763 15.179 1.00 0.00 H new ATOM 0 HA ASN A 25 43.063 43.839 13.474 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.620 43.338 15.196 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.750 44.732 14.142 1.00 0.00 H new ATOM 0 HD21 ASN A 25 38.815 42.298 12.197 1.00 0.00 H new ATOM 0 HD22 ASN A 25 38.634 43.349 13.606 1.00 0.00 H new ATOM 401 N VAL A 26 43.002 44.645 16.670 1.00 0.00 N ATOM 402 CA VAL A 26 43.529 45.591 17.632 1.00 0.00 C ATOM 403 C VAL A 26 45.052 45.699 17.550 1.00 0.00 C ATOM 404 O VAL A 26 45.555 46.819 17.508 1.00 0.00 O ATOM 405 CB VAL A 26 43.013 45.287 19.036 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.775 46.006 20.145 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.555 45.725 19.139 1.00 0.00 C ATOM 0 H VAL A 26 42.595 43.814 17.099 1.00 0.00 H new ATOM 0 HA VAL A 26 43.156 46.583 17.376 1.00 0.00 H new ATOM 0 HB VAL A 26 43.145 44.214 19.176 1.00 0.00 H new ATOM 0 HG11 VAL A 26 43.349 45.739 21.112 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.824 45.710 20.117 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.698 47.084 20.000 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.180 45.510 20.140 1.00 0.00 H new ATOM 0 HG22 VAL A 26 41.482 46.795 18.946 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.959 45.183 18.405 1.00 0.00 H new ATOM 417 N LYS A 27 45.793 44.605 17.394 1.00 0.00 N ATOM 418 CA LYS A 27 47.221 44.652 17.149 1.00 0.00 C ATOM 419 C LYS A 27 47.570 45.431 15.878 1.00 0.00 C ATOM 420 O LYS A 27 48.529 46.199 15.879 1.00 0.00 O ATOM 421 CB LYS A 27 47.833 43.257 17.072 1.00 0.00 C ATOM 422 CG LYS A 27 47.832 42.506 18.400 1.00 0.00 C ATOM 423 CD LYS A 27 48.333 41.076 18.212 1.00 0.00 C ATOM 424 CE LYS A 27 48.194 40.319 19.529 1.00 0.00 C ATOM 425 NZ LYS A 27 48.634 38.920 19.417 1.00 0.00 N ATOM 0 H LYS A 27 45.412 43.660 17.435 1.00 0.00 H new ATOM 0 HA LYS A 27 47.648 45.178 18.003 1.00 0.00 H new ATOM 0 HB2 LYS A 27 47.285 42.671 16.334 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.859 43.341 16.714 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.465 43.027 19.118 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.824 42.492 18.815 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.761 40.577 17.430 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.374 41.082 17.890 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.780 40.822 20.298 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.154 40.346 19.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 48.505 38.441 20.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.070 38.436 18.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.639 38.892 19.150 1.00 0.00 H new ATOM 439 N ALA A 28 46.784 45.283 14.816 1.00 0.00 N ATOM 440 CA ALA A 28 46.937 46.017 13.576 1.00 0.00 C ATOM 441 C ALA A 28 46.575 47.497 13.706 1.00 0.00 C ATOM 442 O ALA A 28 47.222 48.336 13.082 1.00 0.00 O ATOM 443 CB ALA A 28 46.121 45.310 12.497 1.00 0.00 C ATOM 0 H ALA A 28 46.002 44.629 14.800 1.00 0.00 H new ATOM 0 HA ALA A 28 47.990 46.019 13.295 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.222 45.847 11.554 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.486 44.290 12.375 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.072 45.287 12.791 1.00 0.00 H new ATOM 449 N LYS A 29 45.617 47.860 14.554 1.00 0.00 N ATOM 450 CA LYS A 29 45.308 49.232 14.900 1.00 0.00 C ATOM 451 C LYS A 29 46.398 49.889 15.749 1.00 0.00 C ATOM 452 O LYS A 29 46.674 51.074 15.574 1.00 0.00 O ATOM 453 CB LYS A 29 43.957 49.297 15.608 1.00 0.00 C ATOM 454 CG LYS A 29 42.790 49.186 14.632 1.00 0.00 C ATOM 455 CD LYS A 29 41.464 49.092 15.383 1.00 0.00 C ATOM 456 CE LYS A 29 40.306 49.055 14.389 1.00 0.00 C ATOM 457 NZ LYS A 29 39.024 48.915 15.097 1.00 0.00 N ATOM 0 H LYS A 29 45.020 47.183 15.030 1.00 0.00 H new ATOM 0 HA LYS A 29 45.259 49.799 13.970 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.894 48.493 16.341 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.881 50.235 16.157 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.779 50.053 13.971 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.919 48.306 14.001 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.450 48.196 16.004 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.354 49.945 16.052 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.301 49.968 13.793 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.439 48.223 13.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.253 48.823 14.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.051 48.068 15.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.860 49.755 15.688 1.00 0.00 H new ATOM 471 N ILE A 30 47.051 49.125 16.620 1.00 0.00 N ATOM 472 CA ILE A 30 48.225 49.532 17.364 1.00 0.00 C ATOM 473 C ILE A 30 49.433 49.672 16.434 1.00 0.00 C ATOM 474 O ILE A 30 50.197 50.623 16.578 1.00 0.00 O ATOM 475 CB ILE A 30 48.474 48.576 18.527 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.357 48.695 19.561 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.822 48.828 19.199 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.260 47.508 20.514 1.00 0.00 C ATOM 0 H ILE A 30 46.761 48.170 16.830 1.00 0.00 H new ATOM 0 HA ILE A 30 48.054 50.517 17.798 1.00 0.00 H new ATOM 0 HB ILE A 30 48.488 47.567 18.115 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.511 49.603 20.144 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.406 48.808 19.041 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.956 48.125 20.021 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.622 48.693 18.471 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.851 49.847 19.585 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.442 47.671 21.216 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.073 46.598 19.944 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.196 47.406 21.064 1.00 0.00 H new ATOM 490 N GLN A 31 49.597 48.812 15.433 1.00 0.00 N ATOM 491 CA GLN A 31 50.600 48.990 14.402 1.00 0.00 C ATOM 492 C GLN A 31 50.357 50.271 13.603 1.00 0.00 C ATOM 493 O GLN A 31 51.284 51.062 13.447 1.00 0.00 O ATOM 494 CB GLN A 31 50.651 47.756 13.506 1.00 0.00 C ATOM 495 CG GLN A 31 51.888 47.770 12.612 1.00 0.00 C ATOM 496 CD GLN A 31 51.995 46.541 11.708 1.00 0.00 C ATOM 497 OE1 GLN A 31 51.020 45.860 11.396 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.205 46.198 11.275 1.00 0.00 N ATOM 0 H GLN A 31 49.033 47.970 15.319 1.00 0.00 H new ATOM 0 HA GLN A 31 51.575 49.102 14.877 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.655 46.857 14.122 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.754 47.715 12.888 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.870 48.667 11.993 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.779 47.831 13.237 1.00 0.00 H new ATOM 0 HE21 GLN A 31 54.017 46.760 11.531 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.321 45.373 10.687 1.00 0.00 H new ATOM 507 N ASP A 32 49.125 50.537 13.177 1.00 0.00 N ATOM 508 CA ASP A 32 48.773 51.755 12.475 1.00 0.00 C ATOM 509 C ASP A 32 49.106 53.010 13.285 1.00 0.00 C ATOM 510 O ASP A 32 49.821 53.876 12.785 1.00 0.00 O ATOM 511 CB ASP A 32 47.298 51.715 12.085 1.00 0.00 C ATOM 512 CG ASP A 32 46.892 52.885 11.188 1.00 0.00 C ATOM 513 OD1 ASP A 32 46.910 52.718 9.950 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.520 53.956 11.715 1.00 0.00 O ATOM 0 H ASP A 32 48.339 49.902 13.314 1.00 0.00 H new ATOM 0 HA ASP A 32 49.377 51.811 11.570 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.088 50.778 11.570 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.687 51.726 12.988 1.00 0.00 H new ATOM 519 N LYS A 33 48.655 53.099 14.533 1.00 0.00 N ATOM 520 CA LYS A 33 48.808 54.290 15.345 1.00 0.00 C ATOM 521 C LYS A 33 50.193 54.439 15.979 1.00 0.00 C ATOM 522 O LYS A 33 50.726 55.545 16.008 1.00 0.00 O ATOM 523 CB LYS A 33 47.651 54.363 16.336 1.00 0.00 C ATOM 524 CG LYS A 33 47.522 55.734 16.996 1.00 0.00 C ATOM 525 CD LYS A 33 46.280 55.887 17.870 1.00 0.00 C ATOM 526 CE LYS A 33 44.972 55.829 17.084 1.00 0.00 C ATOM 527 NZ LYS A 33 43.835 56.315 17.880 1.00 0.00 N ATOM 0 H LYS A 33 48.170 52.338 15.008 1.00 0.00 H new ATOM 0 HA LYS A 33 48.755 55.163 14.695 1.00 0.00 H new ATOM 0 HB2 LYS A 33 46.721 54.125 15.820 1.00 0.00 H new ATOM 0 HB3 LYS A 33 47.791 53.605 17.107 1.00 0.00 H new ATOM 0 HG2 LYS A 33 48.407 55.918 17.605 1.00 0.00 H new ATOM 0 HG3 LYS A 33 47.504 56.499 16.220 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.277 55.100 18.624 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.334 56.837 18.401 1.00 0.00 H new ATOM 0 HE2 LYS A 33 45.065 56.429 16.179 1.00 0.00 H new ATOM 0 HE3 LYS A 33 44.783 54.803 16.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 42.958 56.213 17.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 43.762 55.759 18.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 43.980 57.317 18.117 1.00 0.00 H new ATOM 541 N GLU A 34 50.808 53.364 16.463 1.00 0.00 N ATOM 542 CA GLU A 34 52.017 53.388 17.262 1.00 0.00 C ATOM 543 C GLU A 34 53.219 52.672 16.647 1.00 0.00 C ATOM 544 O GLU A 34 54.342 52.858 17.111 1.00 0.00 O ATOM 545 CB GLU A 34 51.716 52.805 18.640 1.00 0.00 C ATOM 546 CG GLU A 34 50.694 53.588 19.459 1.00 0.00 C ATOM 547 CD GLU A 34 51.199 54.977 19.857 1.00 0.00 C ATOM 548 OE1 GLU A 34 50.468 55.983 19.736 1.00 0.00 O ATOM 549 OE2 GLU A 34 52.359 55.098 20.307 1.00 0.00 O ATOM 0 H GLU A 34 50.460 52.419 16.300 1.00 0.00 H new ATOM 0 HA GLU A 34 52.313 54.435 17.323 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.355 51.784 18.516 1.00 0.00 H new ATOM 0 HB3 GLU A 34 52.646 52.748 19.205 1.00 0.00 H new ATOM 0 HG2 GLU A 34 49.774 53.691 18.883 1.00 0.00 H new ATOM 0 HG3 GLU A 34 50.446 53.024 20.358 1.00 0.00 H new ATOM 556 N GLY A 35 53.041 51.866 15.604 1.00 0.00 N ATOM 557 CA GLY A 35 54.140 51.264 14.876 1.00 0.00 C ATOM 558 C GLY A 35 54.762 50.018 15.509 1.00 0.00 C ATOM 559 O GLY A 35 55.894 49.678 15.177 1.00 0.00 O ATOM 0 H GLY A 35 52.121 51.614 15.242 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.789 51.003 13.878 1.00 0.00 H new ATOM 0 HA3 GLY A 35 54.922 52.013 14.753 1.00 0.00 H new ATOM 563 N ILE A 36 54.066 49.343 16.422 1.00 0.00 N ATOM 564 CA ILE A 36 54.581 48.181 17.118 1.00 0.00 C ATOM 565 C ILE A 36 54.366 46.921 16.277 1.00 0.00 C ATOM 566 O ILE A 36 53.218 46.647 15.934 1.00 0.00 O ATOM 567 CB ILE A 36 53.958 48.037 18.503 1.00 0.00 C ATOM 568 CG1 ILE A 36 53.904 49.329 19.314 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.676 46.951 19.298 1.00 0.00 C ATOM 570 CD1 ILE A 36 55.234 50.057 19.491 1.00 0.00 C ATOM 0 H ILE A 36 53.117 49.597 16.698 1.00 0.00 H new ATOM 0 HA ILE A 36 55.653 48.318 17.263 1.00 0.00 H new ATOM 0 HB ILE A 36 52.920 47.755 18.325 1.00 0.00 H new ATOM 0 HG12 ILE A 36 53.200 50.009 18.833 1.00 0.00 H new ATOM 0 HG13 ILE A 36 53.502 49.100 20.301 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.220 46.860 20.284 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.594 46.000 18.771 1.00 0.00 H new ATOM 0 HG23 ILE A 36 55.728 47.216 19.408 1.00 0.00 H new ATOM 0 HD11 ILE A 36 55.079 50.960 20.082 1.00 0.00 H new ATOM 0 HD12 ILE A 36 55.940 49.405 20.004 1.00 0.00 H new ATOM 0 HD13 ILE A 36 55.634 50.327 18.514 1.00 0.00 H new ATOM 582 N PRO A 37 55.380 46.114 15.973 1.00 0.00 N ATOM 583 CA PRO A 37 55.219 44.912 15.178 1.00 0.00 C ATOM 584 C PRO A 37 54.261 43.909 15.823 1.00 0.00 C ATOM 585 O PRO A 37 54.498 43.524 16.966 1.00 0.00 O ATOM 586 CB PRO A 37 56.615 44.322 15.008 1.00 0.00 C ATOM 587 CG PRO A 37 57.536 45.526 15.192 1.00 0.00 C ATOM 588 CD PRO A 37 56.786 46.357 16.229 1.00 0.00 C ATOM 0 HA PRO A 37 54.770 45.152 14.214 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.816 43.547 15.747 1.00 0.00 H new ATOM 0 HB3 PRO A 37 56.741 43.866 14.026 1.00 0.00 H new ATOM 0 HG2 PRO A 37 58.524 45.231 15.545 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.680 46.073 14.260 1.00 0.00 H new ATOM 0 HD2 PRO A 37 57.058 46.060 17.242 1.00 0.00 H new ATOM 0 HD3 PRO A 37 57.026 47.416 16.132 1.00 0.00 H new ATOM 596 N PRO A 38 53.197 43.461 15.161 1.00 0.00 N ATOM 597 CA PRO A 38 52.193 42.617 15.774 1.00 0.00 C ATOM 598 C PRO A 38 52.707 41.305 16.371 1.00 0.00 C ATOM 599 O PRO A 38 52.164 40.864 17.381 1.00 0.00 O ATOM 600 CB PRO A 38 51.146 42.352 14.696 1.00 0.00 C ATOM 601 CG PRO A 38 51.227 43.608 13.833 1.00 0.00 C ATOM 602 CD PRO A 38 52.718 43.932 13.877 1.00 0.00 C ATOM 0 HA PRO A 38 51.791 43.142 16.641 1.00 0.00 H new ATOM 0 HB2 PRO A 38 51.373 41.452 14.124 1.00 0.00 H new ATOM 0 HB3 PRO A 38 50.152 42.217 15.122 1.00 0.00 H new ATOM 0 HG2 PRO A 38 50.879 43.427 12.816 1.00 0.00 H new ATOM 0 HG3 PRO A 38 50.622 44.420 14.237 1.00 0.00 H new ATOM 0 HD2 PRO A 38 53.247 43.441 13.060 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.887 45.003 13.768 1.00 0.00 H new ATOM 610 N ASP A 39 53.759 40.697 15.830 1.00 0.00 N ATOM 611 CA ASP A 39 54.214 39.406 16.305 1.00 0.00 C ATOM 612 C ASP A 39 54.782 39.424 17.725 1.00 0.00 C ATOM 613 O ASP A 39 54.806 38.373 18.363 1.00 0.00 O ATOM 614 CB ASP A 39 55.131 38.701 15.309 1.00 0.00 C ATOM 615 CG ASP A 39 56.580 39.191 15.300 1.00 0.00 C ATOM 616 OD1 ASP A 39 57.309 39.017 16.300 1.00 0.00 O ATOM 617 OD2 ASP A 39 57.013 39.720 14.253 1.00 0.00 O ATOM 0 H ASP A 39 54.309 41.083 15.062 1.00 0.00 H new ATOM 0 HA ASP A 39 53.310 38.801 16.376 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.126 37.633 15.528 1.00 0.00 H new ATOM 0 HB3 ASP A 39 54.717 38.823 14.308 1.00 0.00 H new ATOM 622 N GLN A 40 55.166 40.589 18.238 1.00 0.00 N ATOM 623 CA GLN A 40 55.694 40.777 19.575 1.00 0.00 C ATOM 624 C GLN A 40 54.744 41.488 20.542 1.00 0.00 C ATOM 625 O GLN A 40 55.136 41.733 21.680 1.00 0.00 O ATOM 626 CB GLN A 40 57.072 41.429 19.515 1.00 0.00 C ATOM 627 CG GLN A 40 57.082 42.860 18.985 1.00 0.00 C ATOM 628 CD GLN A 40 58.483 43.473 19.049 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.873 44.091 20.037 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.297 43.303 18.012 1.00 0.00 N ATOM 0 H GLN A 40 55.114 41.459 17.708 1.00 0.00 H new ATOM 0 HA GLN A 40 55.801 39.781 20.006 1.00 0.00 H new ATOM 0 HB2 GLN A 40 57.504 41.424 20.516 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.720 40.819 18.885 1.00 0.00 H new ATOM 0 HG2 GLN A 40 56.726 42.870 17.955 1.00 0.00 H new ATOM 0 HG3 GLN A 40 56.390 43.469 19.567 1.00 0.00 H new ATOM 0 HE21 GLN A 40 58.976 42.790 17.191 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.242 43.685 18.038 1.00 0.00 H new ATOM 639 N GLN A 41 53.526 41.827 20.129 1.00 0.00 N ATOM 640 CA GLN A 41 52.532 42.469 20.967 1.00 0.00 C ATOM 641 C GLN A 41 51.782 41.441 21.817 1.00 0.00 C ATOM 642 O GLN A 41 51.011 40.657 21.268 1.00 0.00 O ATOM 643 CB GLN A 41 51.515 43.229 20.122 1.00 0.00 C ATOM 644 CG GLN A 41 52.006 44.478 19.395 1.00 0.00 C ATOM 645 CD GLN A 41 50.852 45.214 18.711 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.762 45.357 19.260 1.00 0.00 O ATOM 647 NE2 GLN A 41 51.004 45.707 17.484 1.00 0.00 N ATOM 0 H GLN A 41 53.200 41.656 19.178 1.00 0.00 H new ATOM 0 HA GLN A 41 53.064 43.164 21.617 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.113 42.541 19.378 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.687 43.518 20.769 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.496 45.145 20.104 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.753 44.199 18.652 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.896 45.605 17.000 1.00 0.00 H new ATOM 0 HE22 GLN A 41 50.228 46.187 17.027 1.00 0.00 H new ATOM 656 N ARG A 42 51.923 41.475 23.140 1.00 0.00 N ATOM 657 CA ARG A 42 51.105 40.735 24.078 1.00 0.00 C ATOM 658 C ARG A 42 50.073 41.642 24.749 1.00 0.00 C ATOM 659 O ARG A 42 50.448 42.549 25.489 1.00 0.00 O ATOM 660 CB ARG A 42 51.978 39.991 25.086 1.00 0.00 C ATOM 661 CG ARG A 42 52.292 38.551 24.690 1.00 0.00 C ATOM 662 CD ARG A 42 51.083 37.634 24.854 1.00 0.00 C ATOM 663 NE ARG A 42 51.368 36.260 24.440 1.00 0.00 N ATOM 664 CZ ARG A 42 50.490 35.414 23.882 1.00 0.00 C ATOM 665 NH1 ARG A 42 49.184 35.692 23.768 1.00 0.00 N ATOM 666 NH2 ARG A 42 50.882 34.224 23.408 1.00 0.00 N ATOM 0 H ARG A 42 52.638 42.041 23.598 1.00 0.00 H new ATOM 0 HA ARG A 42 50.541 39.982 23.527 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.914 40.535 25.212 1.00 0.00 H new ATOM 0 HB3 ARG A 42 51.477 39.990 26.054 1.00 0.00 H new ATOM 0 HG2 ARG A 42 52.628 38.526 23.653 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.114 38.179 25.301 1.00 0.00 H new ATOM 0 HD2 ARG A 42 50.765 37.638 25.897 1.00 0.00 H new ATOM 0 HD3 ARG A 42 50.252 38.023 24.266 1.00 0.00 H new ATOM 0 HE ARG A 42 52.317 35.916 24.589 1.00 0.00 H new ATOM 0 HH11 ARG A 42 48.819 36.580 24.114 1.00 0.00 H new ATOM 0 HH12 ARG A 42 48.555 35.016 23.336 1.00 0.00 H new ATOM 0 HH21 ARG A 42 51.862 33.949 23.468 1.00 0.00 H new ATOM 0 HH22 ARG A 42 50.200 33.593 22.987 1.00 0.00 H new ATOM 680 N LEU A 43 48.790 41.403 24.490 1.00 0.00 N ATOM 681 CA LEU A 43 47.666 42.148 25.020 1.00 0.00 C ATOM 682 C LEU A 43 47.007 41.434 26.202 1.00 0.00 C ATOM 683 O LEU A 43 46.803 40.221 26.166 1.00 0.00 O ATOM 684 CB LEU A 43 46.667 42.421 23.900 1.00 0.00 C ATOM 685 CG LEU A 43 47.110 43.516 22.933 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.275 43.464 21.656 1.00 0.00 C ATOM 687 CD2 LEU A 43 46.933 44.906 23.538 1.00 0.00 C ATOM 0 H LEU A 43 48.498 40.645 23.873 1.00 0.00 H new ATOM 0 HA LEU A 43 48.033 43.098 25.408 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.502 41.500 23.341 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.710 42.703 24.340 1.00 0.00 H new ATOM 0 HG LEU A 43 48.164 43.340 22.719 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.602 44.250 20.975 1.00 0.00 H new ATOM 0 HD12 LEU A 43 46.403 42.493 21.177 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.224 43.611 21.903 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.259 45.659 22.821 1.00 0.00 H new ATOM 0 HD22 LEU A 43 45.882 45.066 23.780 1.00 0.00 H new ATOM 0 HD23 LEU A 43 47.531 44.987 24.446 1.00 0.00 H new ATOM 699 N ILE A 44 46.674 42.205 27.233 1.00 0.00 N ATOM 700 CA ILE A 44 46.206 41.742 28.524 1.00 0.00 C ATOM 701 C ILE A 44 44.981 42.546 28.967 1.00 0.00 C ATOM 702 O ILE A 44 44.975 43.771 28.874 1.00 0.00 O ATOM 703 CB ILE A 44 47.322 41.823 29.560 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.563 41.062 29.104 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.853 41.306 30.918 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.755 41.086 30.057 1.00 0.00 C ATOM 0 H ILE A 44 46.728 43.222 27.182 1.00 0.00 H new ATOM 0 HA ILE A 44 45.910 40.697 28.433 1.00 0.00 H new ATOM 0 HB ILE A 44 47.588 42.875 29.665 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.283 40.023 28.931 1.00 0.00 H new ATOM 0 HG13 ILE A 44 48.882 41.470 28.145 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.670 41.376 31.636 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.012 41.906 31.265 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.541 40.266 30.823 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.576 40.513 29.627 1.00 0.00 H new ATOM 0 HD12 ILE A 44 50.075 42.116 30.214 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.466 40.646 31.012 1.00 0.00 H new ATOM 718 N PHE A 45 43.969 41.869 29.502 1.00 0.00 N ATOM 719 CA PHE A 45 42.899 42.480 30.264 1.00 0.00 C ATOM 720 C PHE A 45 42.571 41.648 31.505 1.00 0.00 C ATOM 721 O PHE A 45 42.509 40.424 31.420 1.00 0.00 O ATOM 722 CB PHE A 45 41.661 42.673 29.391 1.00 0.00 C ATOM 723 CG PHE A 45 40.501 43.289 30.136 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.457 44.674 30.340 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.498 42.482 30.686 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.421 45.247 31.086 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.458 43.051 31.431 1.00 0.00 C ATOM 728 CZ PHE A 45 38.419 44.436 31.633 1.00 0.00 C ATOM 0 H PHE A 45 43.873 40.857 29.412 1.00 0.00 H new ATOM 0 HA PHE A 45 43.234 43.462 30.599 1.00 0.00 H new ATOM 0 HB2 PHE A 45 41.918 43.307 28.542 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.354 41.708 28.987 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.227 45.303 29.919 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.527 41.413 30.535 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.394 46.316 31.240 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.686 42.422 31.850 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.619 44.877 32.209 1.00 0.00 H new ATOM 738 N ALA A 46 42.366 42.292 32.650 1.00 0.00 N ATOM 739 CA ALA A 46 42.131 41.656 33.930 1.00 0.00 C ATOM 740 C ALA A 46 43.145 40.556 34.253 1.00 0.00 C ATOM 741 O ALA A 46 42.788 39.457 34.670 1.00 0.00 O ATOM 742 CB ALA A 46 40.672 41.219 34.022 1.00 0.00 C ATOM 0 H ALA A 46 42.360 43.310 32.707 1.00 0.00 H new ATOM 0 HA ALA A 46 42.301 42.387 34.721 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.496 40.740 34.985 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.024 42.090 33.926 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.452 40.513 33.221 1.00 0.00 H new ATOM 748 N GLY A 47 44.421 40.804 33.972 1.00 0.00 N ATOM 749 CA GLY A 47 45.505 39.850 34.091 1.00 0.00 C ATOM 750 C GLY A 47 45.545 38.718 33.062 1.00 0.00 C ATOM 751 O GLY A 47 46.595 38.100 32.903 1.00 0.00 O ATOM 0 H GLY A 47 44.735 41.716 33.641 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.446 40.396 34.031 1.00 0.00 H new ATOM 0 HA3 GLY A 47 45.457 39.404 35.085 1.00 0.00 H new ATOM 755 N LYS A 48 44.465 38.467 32.328 1.00 0.00 N ATOM 756 CA LYS A 48 44.359 37.432 31.320 1.00 0.00 C ATOM 757 C LYS A 48 45.059 37.854 30.026 1.00 0.00 C ATOM 758 O LYS A 48 44.697 38.869 29.435 1.00 0.00 O ATOM 759 CB LYS A 48 42.893 37.112 31.039 1.00 0.00 C ATOM 760 CG LYS A 48 42.117 36.594 32.247 1.00 0.00 C ATOM 761 CD LYS A 48 40.660 36.316 31.889 1.00 0.00 C ATOM 762 CE LYS A 48 39.899 35.599 33.001 1.00 0.00 C ATOM 763 NZ LYS A 48 39.590 36.461 34.151 1.00 0.00 N ATOM 0 H LYS A 48 43.605 39.007 32.429 1.00 0.00 H new ATOM 0 HA LYS A 48 44.851 36.538 31.702 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.403 38.011 30.666 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.842 36.368 30.244 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.584 35.681 32.618 1.00 0.00 H new ATOM 0 HG3 LYS A 48 42.163 37.326 33.053 1.00 0.00 H new ATOM 0 HD2 LYS A 48 40.161 37.258 31.664 1.00 0.00 H new ATOM 0 HD3 LYS A 48 40.623 35.711 30.983 1.00 0.00 H new ATOM 0 HE2 LYS A 48 38.969 35.201 32.595 1.00 0.00 H new ATOM 0 HE3 LYS A 48 40.488 34.748 33.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 39.074 35.912 34.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 40.475 36.822 34.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 39.003 37.260 33.838 1.00 0.00 H new ATOM 777 N GLN A 49 46.011 37.062 29.544 1.00 0.00 N ATOM 778 CA GLN A 49 46.547 37.188 28.203 1.00 0.00 C ATOM 779 C GLN A 49 45.497 36.777 27.169 1.00 0.00 C ATOM 780 O GLN A 49 45.024 35.642 27.180 1.00 0.00 O ATOM 781 CB GLN A 49 47.815 36.350 28.066 1.00 0.00 C ATOM 782 CG GLN A 49 49.006 36.944 28.813 1.00 0.00 C ATOM 783 CD GLN A 49 50.309 36.165 28.623 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.391 35.164 27.915 1.00 0.00 O ATOM 785 NE2 GLN A 49 51.393 36.625 29.241 1.00 0.00 N ATOM 0 H GLN A 49 46.434 36.307 30.084 1.00 0.00 H new ATOM 0 HA GLN A 49 46.806 38.231 28.019 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.622 35.345 28.442 1.00 0.00 H new ATOM 0 HB3 GLN A 49 48.067 36.253 27.010 1.00 0.00 H new ATOM 0 HG2 GLN A 49 49.156 37.971 28.479 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.771 36.986 29.877 1.00 0.00 H new ATOM 0 HE21 GLN A 49 51.331 37.456 29.830 1.00 0.00 H new ATOM 0 HE22 GLN A 49 52.287 36.147 29.126 1.00 0.00 H new ATOM 794 N LEU A 50 45.121 37.687 26.275 1.00 0.00 N ATOM 795 CA LEU A 50 44.051 37.519 25.314 1.00 0.00 C ATOM 796 C LEU A 50 44.487 36.777 24.049 1.00 0.00 C ATOM 797 O LEU A 50 45.616 36.934 23.592 1.00 0.00 O ATOM 798 CB LEU A 50 43.447 38.881 24.982 1.00 0.00 C ATOM 799 CG LEU A 50 43.089 39.766 26.172 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.455 41.058 25.665 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.126 39.096 27.148 1.00 0.00 C ATOM 0 H LEU A 50 45.576 38.597 26.203 1.00 0.00 H new ATOM 0 HA LEU A 50 43.292 36.887 25.774 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.151 39.423 24.351 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.546 38.721 24.390 1.00 0.00 H new ATOM 0 HG LEU A 50 44.015 39.963 26.711 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.197 41.694 26.512 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.161 41.581 25.020 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.553 40.823 25.100 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.911 39.777 27.972 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.199 38.847 26.631 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.579 38.185 27.539 1.00 0.00 H new ATOM 813 N GLU A 51 43.593 35.990 23.457 1.00 0.00 N ATOM 814 CA GLU A 51 43.837 35.168 22.290 1.00 0.00 C ATOM 815 C GLU A 51 43.528 35.862 20.961 1.00 0.00 C ATOM 816 O GLU A 51 42.488 36.492 20.791 1.00 0.00 O ATOM 817 CB GLU A 51 43.044 33.867 22.365 1.00 0.00 C ATOM 818 CG GLU A 51 43.532 32.895 23.436 1.00 0.00 C ATOM 819 CD GLU A 51 42.629 31.663 23.529 1.00 0.00 C ATOM 820 OE1 GLU A 51 42.184 31.139 22.485 1.00 0.00 O ATOM 821 OE2 GLU A 51 42.357 31.204 24.660 1.00 0.00 O ATOM 0 H GLU A 51 42.636 35.909 23.799 1.00 0.00 H new ATOM 0 HA GLU A 51 44.908 34.966 22.306 1.00 0.00 H new ATOM 0 HB2 GLU A 51 41.997 34.104 22.555 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.087 33.372 21.395 1.00 0.00 H new ATOM 0 HG2 GLU A 51 44.552 32.584 23.209 1.00 0.00 H new ATOM 0 HG3 GLU A 51 43.561 33.400 24.401 1.00 0.00 H new ATOM 828 N ASP A 52 44.409 35.657 19.984 1.00 0.00 N ATOM 829 CA ASP A 52 44.403 36.265 18.668 1.00 0.00 C ATOM 830 C ASP A 52 43.097 36.088 17.890 1.00 0.00 C ATOM 831 O ASP A 52 42.649 37.026 17.234 1.00 0.00 O ATOM 832 CB ASP A 52 45.563 35.691 17.861 1.00 0.00 C ATOM 833 CG ASP A 52 46.935 36.137 18.373 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.589 36.977 17.718 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.379 35.634 19.426 1.00 0.00 O ATOM 0 H ASP A 52 45.195 35.019 20.105 1.00 0.00 H new ATOM 0 HA ASP A 52 44.508 37.339 18.821 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.510 34.603 17.885 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.456 35.992 16.819 1.00 0.00 H new ATOM 840 N GLY A 53 42.473 34.916 17.959 1.00 0.00 N ATOM 841 CA GLY A 53 41.290 34.564 17.199 1.00 0.00 C ATOM 842 C GLY A 53 39.950 34.993 17.798 1.00 0.00 C ATOM 843 O GLY A 53 38.915 34.697 17.205 1.00 0.00 O ATOM 0 H GLY A 53 42.792 34.163 18.568 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.378 35.004 16.206 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.276 33.482 17.068 1.00 0.00 H new ATOM 847 N ARG A 54 39.949 35.643 18.958 1.00 0.00 N ATOM 848 CA ARG A 54 38.774 36.008 19.725 1.00 0.00 C ATOM 849 C ARG A 54 38.445 37.497 19.599 1.00 0.00 C ATOM 850 O ARG A 54 39.182 38.246 18.961 1.00 0.00 O ATOM 851 CB ARG A 54 38.961 35.564 21.172 1.00 0.00 C ATOM 852 CG ARG A 54 39.319 34.094 21.374 1.00 0.00 C ATOM 853 CD ARG A 54 38.336 33.085 20.788 1.00 0.00 C ATOM 854 NE ARG A 54 37.025 33.117 21.437 1.00 0.00 N ATOM 855 CZ ARG A 54 36.683 32.569 22.610 1.00 0.00 C ATOM 856 NH1 ARG A 54 37.529 31.839 23.351 1.00 0.00 N ATOM 857 NH2 ARG A 54 35.446 32.743 23.095 1.00 0.00 N ATOM 0 H ARG A 54 40.815 35.942 19.407 1.00 0.00 H new ATOM 0 HA ARG A 54 37.907 35.488 19.317 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.744 36.174 21.621 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.041 35.773 21.718 1.00 0.00 H new ATOM 0 HG2 ARG A 54 40.300 33.915 20.934 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.410 33.905 22.444 1.00 0.00 H new ATOM 0 HD2 ARG A 54 38.213 33.283 19.723 1.00 0.00 H new ATOM 0 HD3 ARG A 54 38.755 32.083 20.879 1.00 0.00 H new ATOM 0 HE ARG A 54 36.287 33.614 20.939 1.00 0.00 H new ATOM 0 HH11 ARG A 54 38.483 31.680 23.027 1.00 0.00 H new ATOM 0 HH12 ARG A 54 37.219 31.443 24.238 1.00 0.00 H new ATOM 0 HH21 ARG A 54 34.765 33.293 22.571 1.00 0.00 H new ATOM 0 HH22 ARG A 54 35.185 32.326 23.988 1.00 0.00 H new ATOM 871 N THR A 55 37.340 37.923 20.204 1.00 0.00 N ATOM 872 CA THR A 55 36.764 39.249 20.107 1.00 0.00 C ATOM 873 C THR A 55 36.640 39.945 21.464 1.00 0.00 C ATOM 874 O THR A 55 36.776 39.310 22.508 1.00 0.00 O ATOM 875 CB THR A 55 35.398 39.203 19.427 1.00 0.00 C ATOM 876 OG1 THR A 55 34.458 38.509 20.215 1.00 0.00 O ATOM 877 CG2 THR A 55 35.421 38.526 18.059 1.00 0.00 C ATOM 0 H THR A 55 36.794 37.310 20.810 1.00 0.00 H new ATOM 0 HA THR A 55 37.455 39.835 19.500 1.00 0.00 H new ATOM 0 HB THR A 55 35.118 40.249 19.302 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.614 37.545 20.137 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.417 38.529 17.635 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.097 39.067 17.397 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.766 37.498 18.168 1.00 0.00 H new ATOM 885 N LEU A 56 36.348 41.241 21.483 1.00 0.00 N ATOM 886 CA LEU A 56 36.106 41.963 22.715 1.00 0.00 C ATOM 887 C LEU A 56 34.868 41.467 23.464 1.00 0.00 C ATOM 888 O LEU A 56 34.842 41.558 24.689 1.00 0.00 O ATOM 889 CB LEU A 56 36.000 43.464 22.458 1.00 0.00 C ATOM 890 CG LEU A 56 37.251 44.136 21.900 1.00 0.00 C ATOM 891 CD1 LEU A 56 36.973 45.619 21.666 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.454 44.042 22.836 1.00 0.00 C ATOM 0 H LEU A 56 36.274 41.815 20.643 1.00 0.00 H new ATOM 0 HA LEU A 56 36.967 41.769 23.355 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.178 43.637 21.763 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.734 43.955 23.394 1.00 0.00 H new ATOM 0 HG LEU A 56 37.491 43.610 20.976 1.00 0.00 H new ATOM 0 HD11 LEU A 56 37.867 46.098 21.267 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.155 45.728 20.954 1.00 0.00 H new ATOM 0 HD13 LEU A 56 36.698 46.091 22.609 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.310 44.539 22.380 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.216 44.525 23.784 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.696 42.994 23.014 1.00 0.00 H new ATOM 904 N SER A 57 33.843 40.959 22.786 1.00 0.00 N ATOM 905 CA SER A 57 32.672 40.388 23.421 1.00 0.00 C ATOM 906 C SER A 57 32.953 39.039 24.086 1.00 0.00 C ATOM 907 O SER A 57 32.437 38.796 25.174 1.00 0.00 O ATOM 908 CB SER A 57 31.501 40.311 22.446 1.00 0.00 C ATOM 909 OG SER A 57 31.742 39.349 21.441 1.00 0.00 O ATOM 0 H SER A 57 33.807 40.935 21.767 1.00 0.00 H new ATOM 0 HA SER A 57 32.390 41.064 24.228 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.589 40.057 22.987 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.339 41.287 21.989 1.00 0.00 H new ATOM 0 HG SER A 57 32.705 39.290 21.269 1.00 0.00 H new ATOM 915 N ASP A 58 33.837 38.215 23.529 1.00 0.00 N ATOM 916 CA ASP A 58 34.269 36.973 24.137 1.00 0.00 C ATOM 917 C ASP A 58 34.882 37.176 25.524 1.00 0.00 C ATOM 918 O ASP A 58 34.668 36.357 26.414 1.00 0.00 O ATOM 919 CB ASP A 58 35.322 36.272 23.284 1.00 0.00 C ATOM 920 CG ASP A 58 34.762 35.718 21.973 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.905 34.809 22.016 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.252 36.126 20.898 1.00 0.00 O ATOM 0 H ASP A 58 34.277 38.401 22.628 1.00 0.00 H new ATOM 0 HA ASP A 58 33.366 36.368 24.219 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.126 36.974 23.061 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.761 35.456 23.858 1.00 0.00 H new ATOM 927 N TYR A 59 35.608 38.274 25.717 1.00 0.00 N ATOM 928 CA TYR A 59 36.226 38.649 26.973 1.00 0.00 C ATOM 929 C TYR A 59 35.422 39.667 27.786 1.00 0.00 C ATOM 930 O TYR A 59 35.862 40.048 28.867 1.00 0.00 O ATOM 931 CB TYR A 59 37.652 39.122 26.707 1.00 0.00 C ATOM 932 CG TYR A 59 38.567 38.032 26.201 1.00 0.00 C ATOM 933 CD1 TYR A 59 38.906 36.971 27.049 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.094 38.095 24.905 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.767 35.960 26.606 1.00 0.00 C ATOM 936 CE2 TYR A 59 39.985 37.109 24.463 1.00 0.00 C ATOM 937 CZ TYR A 59 40.309 36.029 25.307 1.00 0.00 C ATOM 938 OH TYR A 59 41.154 35.052 24.870 1.00 0.00 O ATOM 0 H TYR A 59 35.785 38.948 24.972 1.00 0.00 H new ATOM 0 HA TYR A 59 36.247 37.761 27.605 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.627 39.931 25.977 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.066 39.535 27.627 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.501 36.932 28.050 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.813 38.904 24.247 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.014 35.133 27.255 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.422 37.177 23.478 1.00 0.00 H new ATOM 0 HH TYR A 59 40.661 34.422 24.304 1.00 0.00 H new ATOM 948 N ASN A 60 34.263 40.106 27.302 1.00 0.00 N ATOM 949 CA ASN A 60 33.415 41.097 27.934 1.00 0.00 C ATOM 950 C ASN A 60 34.140 42.395 28.292 1.00 0.00 C ATOM 951 O ASN A 60 34.016 42.929 29.392 1.00 0.00 O ATOM 952 CB ASN A 60 32.622 40.428 29.054 1.00 0.00 C ATOM 953 CG ASN A 60 31.306 41.134 29.388 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.025 42.252 28.959 1.00 0.00 O ATOM 955 ND2 ASN A 60 30.418 40.494 30.141 1.00 0.00 N ATOM 0 H ASN A 60 33.879 39.763 26.422 1.00 0.00 H new ATOM 0 HA ASN A 60 32.684 41.467 27.214 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.408 39.398 28.769 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.240 40.389 29.951 1.00 0.00 H new ATOM 0 HD21 ASN A 60 29.521 40.931 30.354 1.00 0.00 H new ATOM 0 HD22 ASN A 60 30.633 39.566 30.506 1.00 0.00 H new ATOM 962 N ILE A 61 34.932 42.896 27.347 1.00 0.00 N ATOM 963 CA ILE A 61 35.685 44.131 27.435 1.00 0.00 C ATOM 964 C ILE A 61 34.828 45.259 26.857 1.00 0.00 C ATOM 965 O ILE A 61 34.657 45.360 25.645 1.00 0.00 O ATOM 966 CB ILE A 61 37.040 44.003 26.746 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.852 42.856 27.344 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.820 45.308 26.866 1.00 0.00 C ATOM 969 CD1 ILE A 61 39.172 42.568 26.636 1.00 0.00 C ATOM 0 H ILE A 61 35.069 42.421 26.455 1.00 0.00 H new ATOM 0 HA ILE A 61 35.909 44.364 28.476 1.00 0.00 H new ATOM 0 HB ILE A 61 36.863 43.787 25.692 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.059 43.083 28.390 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.243 41.952 27.329 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.785 45.202 26.370 1.00 0.00 H new ATOM 0 HG22 ILE A 61 37.256 46.113 26.395 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.977 45.542 27.919 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.677 41.739 27.131 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.977 42.305 25.596 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.806 43.454 26.674 1.00 0.00 H new ATOM 981 N GLN A 62 34.227 46.063 27.730 1.00 0.00 N ATOM 982 CA GLN A 62 33.229 47.063 27.411 1.00 0.00 C ATOM 983 C GLN A 62 33.836 48.448 27.179 1.00 0.00 C ATOM 984 O GLN A 62 35.011 48.676 27.455 1.00 0.00 O ATOM 985 CB GLN A 62 32.201 47.083 28.539 1.00 0.00 C ATOM 986 CG GLN A 62 31.466 45.755 28.690 1.00 0.00 C ATOM 987 CD GLN A 62 30.511 45.726 29.886 1.00 0.00 C ATOM 988 OE1 GLN A 62 30.174 46.741 30.491 1.00 0.00 O ATOM 989 NE2 GLN A 62 30.036 44.552 30.291 1.00 0.00 N ATOM 0 H GLN A 62 34.438 46.028 28.727 1.00 0.00 H new ATOM 0 HA GLN A 62 32.748 46.797 26.469 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.701 47.325 29.477 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.476 47.875 28.351 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.903 45.553 27.779 1.00 0.00 H new ATOM 0 HG3 GLN A 62 32.196 44.953 28.797 1.00 0.00 H new ATOM 0 HE21 GLN A 62 30.304 43.698 29.802 1.00 0.00 H new ATOM 0 HE22 GLN A 62 29.404 44.506 31.090 1.00 0.00 H new ATOM 998 N LYS A 63 33.037 49.392 26.687 1.00 0.00 N ATOM 999 CA LYS A 63 33.458 50.751 26.414 1.00 0.00 C ATOM 1000 C LYS A 63 34.202 51.409 27.578 1.00 0.00 C ATOM 1001 O LYS A 63 33.810 51.273 28.735 1.00 0.00 O ATOM 1002 CB LYS A 63 32.294 51.595 25.903 1.00 0.00 C ATOM 1003 CG LYS A 63 31.359 52.245 26.919 1.00 0.00 C ATOM 1004 CD LYS A 63 30.590 51.286 27.823 1.00 0.00 C ATOM 1005 CE LYS A 63 29.639 52.093 28.703 1.00 0.00 C ATOM 1006 NZ LYS A 63 29.097 51.288 29.808 1.00 0.00 N ATOM 0 H LYS A 63 32.056 49.222 26.464 1.00 0.00 H new ATOM 0 HA LYS A 63 34.196 50.692 25.614 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.709 52.388 25.281 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.688 50.964 25.253 1.00 0.00 H new ATOM 0 HG2 LYS A 63 31.946 52.915 27.547 1.00 0.00 H new ATOM 0 HG3 LYS A 63 30.640 52.862 26.380 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.031 50.568 27.223 1.00 0.00 H new ATOM 0 HD3 LYS A 63 31.282 50.714 28.441 1.00 0.00 H new ATOM 0 HE2 LYS A 63 30.165 52.958 29.108 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.818 52.475 28.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 28.456 51.873 30.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 28.573 50.477 29.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 29.878 50.945 30.403 1.00 0.00 H new ATOM 1020 N GLU A 64 35.289 52.115 27.280 1.00 0.00 N ATOM 1021 CA GLU A 64 36.177 52.775 28.216 1.00 0.00 C ATOM 1022 C GLU A 64 36.866 51.880 29.249 1.00 0.00 C ATOM 1023 O GLU A 64 37.373 52.376 30.251 1.00 0.00 O ATOM 1024 CB GLU A 64 35.511 53.995 28.846 1.00 0.00 C ATOM 1025 CG GLU A 64 34.944 54.969 27.818 1.00 0.00 C ATOM 1026 CD GLU A 64 34.584 56.317 28.445 1.00 0.00 C ATOM 1027 OE1 GLU A 64 34.851 57.353 27.797 1.00 0.00 O ATOM 1028 OE2 GLU A 64 34.013 56.352 29.557 1.00 0.00 O ATOM 0 H GLU A 64 35.587 52.246 26.313 1.00 0.00 H new ATOM 0 HA GLU A 64 37.012 53.110 27.600 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.708 53.663 29.504 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.238 54.517 29.469 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.673 55.122 27.023 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.057 54.535 27.358 1.00 0.00 H new ATOM 1035 N SER A 65 36.908 50.568 29.034 1.00 0.00 N ATOM 1036 CA SER A 65 37.789 49.671 29.754 1.00 0.00 C ATOM 1037 C SER A 65 39.246 49.852 29.326 1.00 0.00 C ATOM 1038 O SER A 65 39.527 50.210 28.185 1.00 0.00 O ATOM 1039 CB SER A 65 37.368 48.215 29.576 1.00 0.00 C ATOM 1040 OG SER A 65 36.208 47.945 30.332 1.00 0.00 O ATOM 0 H SER A 65 36.321 50.098 28.345 1.00 0.00 H new ATOM 0 HA SER A 65 37.708 49.927 30.810 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.179 48.010 28.522 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.177 47.555 29.889 1.00 0.00 H new ATOM 0 HG SER A 65 35.947 47.008 30.208 1.00 0.00 H new ATOM 1046 N THR A 66 40.167 49.581 30.247 1.00 0.00 N ATOM 1047 CA THR A 66 41.600 49.710 30.069 1.00 0.00 C ATOM 1048 C THR A 66 42.272 48.343 29.927 1.00 0.00 C ATOM 1049 O THR A 66 42.190 47.503 30.821 1.00 0.00 O ATOM 1050 CB THR A 66 42.236 50.469 31.229 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.568 51.676 31.518 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.682 50.853 30.926 1.00 0.00 C ATOM 0 H THR A 66 39.917 49.251 31.179 1.00 0.00 H new ATOM 0 HA THR A 66 41.754 50.274 29.149 1.00 0.00 H new ATOM 0 HB THR A 66 42.173 49.784 32.075 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.012 52.124 32.268 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.101 51.392 31.776 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.267 49.952 30.744 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.712 51.490 30.042 1.00 0.00 H new ATOM 1060 N LEU A 67 42.985 48.141 28.822 1.00 0.00 N ATOM 1061 CA LEU A 67 43.827 46.998 28.530 1.00 0.00 C ATOM 1062 C LEU A 67 45.297 47.384 28.704 1.00 0.00 C ATOM 1063 O LEU A 67 45.641 48.562 28.645 1.00 0.00 O ATOM 1064 CB LEU A 67 43.576 46.489 27.114 1.00 0.00 C ATOM 1065 CG LEU A 67 42.151 46.086 26.745 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.277 47.272 26.350 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.187 45.151 25.539 1.00 0.00 C ATOM 0 H LEU A 67 42.986 48.820 28.061 1.00 0.00 H new ATOM 0 HA LEU A 67 43.582 46.195 29.226 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.896 47.264 26.418 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.221 45.626 26.949 1.00 0.00 H new ATOM 0 HG LEU A 67 41.729 45.614 27.632 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.277 46.919 26.099 1.00 0.00 H new ATOM 0 HD12 LEU A 67 41.216 47.973 27.183 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.712 47.773 25.485 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.171 44.861 25.273 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.651 45.663 24.696 1.00 0.00 H new ATOM 0 HD23 LEU A 67 42.765 44.261 25.786 1.00 0.00 H new ATOM 1079 N HIS A 68 46.180 46.403 28.869 1.00 0.00 N ATOM 1080 CA HIS A 68 47.611 46.611 28.959 1.00 0.00 C ATOM 1081 C HIS A 68 48.343 45.894 27.824 1.00 0.00 C ATOM 1082 O HIS A 68 47.908 44.843 27.359 1.00 0.00 O ATOM 1083 CB HIS A 68 48.129 46.255 30.351 1.00 0.00 C ATOM 1084 CG HIS A 68 47.622 47.178 31.425 1.00 0.00 C ATOM 1085 ND1 HIS A 68 48.348 48.197 32.038 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.357 47.170 31.952 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.511 48.792 32.889 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.306 48.198 32.873 1.00 0.00 N ATOM 0 H HIS A 68 45.909 45.423 28.945 1.00 0.00 H new ATOM 0 HA HIS A 68 47.824 47.672 28.825 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.835 45.233 30.591 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.219 46.280 30.344 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.556 46.492 31.697 1.00 0.00 H new ATOM 0 HE1 HIS A 68 47.768 49.639 33.509 1.00 0.00 H new ATOM 0 HE2 HIS A 68 45.499 48.459 33.439 1.00 0.00 H new ATOM 1096 N LEU A 69 49.448 46.473 27.363 1.00 0.00 N ATOM 1097 CA LEU A 69 50.240 46.031 26.233 1.00 0.00 C ATOM 1098 C LEU A 69 51.698 45.810 26.640 1.00 0.00 C ATOM 1099 O LEU A 69 52.362 46.705 27.158 1.00 0.00 O ATOM 1100 CB LEU A 69 50.108 47.057 25.109 1.00 0.00 C ATOM 1101 CG LEU A 69 51.020 46.847 23.904 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.732 45.550 23.151 1.00 0.00 C ATOM 1103 CD2 LEU A 69 50.862 48.011 22.931 1.00 0.00 C ATOM 0 H LEU A 69 49.832 47.312 27.798 1.00 0.00 H new ATOM 0 HA LEU A 69 49.870 45.070 25.875 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.075 47.056 24.762 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.305 48.046 25.521 1.00 0.00 H new ATOM 0 HG LEU A 69 52.036 46.788 24.294 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.414 45.461 22.306 1.00 0.00 H new ATOM 0 HD12 LEU A 69 50.871 44.702 23.821 1.00 0.00 H new ATOM 0 HD13 LEU A 69 49.704 45.561 22.788 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.515 47.858 22.072 1.00 0.00 H new ATOM 0 HD22 LEU A 69 49.827 48.066 22.595 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.132 48.942 23.430 1.00 0.00 H new ATOM 1115 N VAL A 70 52.214 44.624 26.327 1.00 0.00 N ATOM 1116 CA VAL A 70 53.547 44.154 26.643 1.00 0.00 C ATOM 1117 C VAL A 70 54.296 43.853 25.343 1.00 0.00 C ATOM 1118 O VAL A 70 53.736 43.236 24.440 1.00 0.00 O ATOM 1119 CB VAL A 70 53.459 42.915 27.529 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.835 42.492 28.036 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.558 43.128 28.742 1.00 0.00 C ATOM 0 H VAL A 70 51.673 43.927 25.814 1.00 0.00 H new ATOM 0 HA VAL A 70 54.095 44.922 27.189 1.00 0.00 H new ATOM 0 HB VAL A 70 53.033 42.135 26.898 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.735 41.607 28.664 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.481 42.265 27.188 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.273 43.302 28.619 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.530 42.216 29.339 1.00 0.00 H new ATOM 0 HG22 VAL A 70 52.949 43.946 29.347 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.550 43.374 28.408 1.00 0.00 H new ATOM 1131 N LEU A 71 55.550 44.282 25.229 1.00 0.00 N ATOM 1132 CA LEU A 71 56.393 44.021 24.080 1.00 0.00 C ATOM 1133 C LEU A 71 57.382 42.898 24.396 1.00 0.00 C ATOM 1134 O LEU A 71 58.280 43.081 25.217 1.00 0.00 O ATOM 1135 CB LEU A 71 57.123 45.292 23.657 1.00 0.00 C ATOM 1136 CG LEU A 71 56.333 46.249 22.770 1.00 0.00 C ATOM 1137 CD1 LEU A 71 55.098 46.855 23.431 1.00 0.00 C ATOM 1138 CD2 LEU A 71 57.257 47.393 22.356 1.00 0.00 C ATOM 0 H LEU A 71 56.013 44.832 25.952 1.00 0.00 H new ATOM 0 HA LEU A 71 55.767 43.699 23.248 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.429 45.828 24.555 1.00 0.00 H new ATOM 0 HB3 LEU A 71 58.034 45.007 23.130 1.00 0.00 H new ATOM 0 HG LEU A 71 55.977 45.660 21.925 1.00 0.00 H new ATOM 0 HD11 LEU A 71 54.599 47.522 22.728 1.00 0.00 H new ATOM 0 HD12 LEU A 71 54.414 46.058 23.723 1.00 0.00 H new ATOM 0 HD13 LEU A 71 55.398 47.418 24.315 1.00 0.00 H new ATOM 0 HD21 LEU A 71 56.711 48.090 21.720 1.00 0.00 H new ATOM 0 HD22 LEU A 71 57.611 47.914 23.245 1.00 0.00 H new ATOM 0 HD23 LEU A 71 58.109 46.992 21.807 1.00 0.00 H new ATOM 1150 N ARG A 72 57.266 41.749 23.738 1.00 0.00 N ATOM 1151 CA ARG A 72 58.123 40.603 23.969 1.00 0.00 C ATOM 1152 C ARG A 72 59.608 40.932 23.802 1.00 0.00 C ATOM 1153 O ARG A 72 60.417 40.524 24.631 1.00 0.00 O ATOM 1154 CB ARG A 72 57.696 39.442 23.075 1.00 0.00 C ATOM 1155 CG ARG A 72 58.514 38.179 23.329 1.00 0.00 C ATOM 1156 CD ARG A 72 58.161 37.050 22.367 1.00 0.00 C ATOM 1157 NE ARG A 72 56.817 36.527 22.617 1.00 0.00 N ATOM 1158 CZ ARG A 72 55.787 36.512 21.759 1.00 0.00 C ATOM 1159 NH1 ARG A 72 55.882 36.968 20.503 1.00 0.00 N ATOM 1160 NH2 ARG A 72 54.590 36.049 22.145 1.00 0.00 N ATOM 0 H ARG A 72 56.561 41.591 23.018 1.00 0.00 H new ATOM 0 HA ARG A 72 58.002 40.304 25.010 1.00 0.00 H new ATOM 0 HB2 ARG A 72 56.641 39.227 23.243 1.00 0.00 H new ATOM 0 HB3 ARG A 72 57.800 39.735 22.030 1.00 0.00 H new ATOM 0 HG2 ARG A 72 59.575 38.412 23.236 1.00 0.00 H new ATOM 0 HG3 ARG A 72 58.350 37.844 24.353 1.00 0.00 H new ATOM 0 HD2 ARG A 72 58.226 37.412 21.341 1.00 0.00 H new ATOM 0 HD3 ARG A 72 58.889 36.245 22.467 1.00 0.00 H new ATOM 0 HE ARG A 72 56.646 36.132 23.542 1.00 0.00 H new ATOM 0 HH11 ARG A 72 56.766 37.347 20.164 1.00 0.00 H new ATOM 0 HH12 ARG A 72 55.070 36.936 19.886 1.00 0.00 H new ATOM 0 HH21 ARG A 72 54.459 35.705 23.096 1.00 0.00 H new ATOM 0 HH22 ARG A 72 53.810 36.040 21.487 1.00 0.00 H new ATOM 1174 N LEU A 73 59.948 41.693 22.766 1.00 0.00 N ATOM 1175 CA LEU A 73 61.305 41.919 22.310 1.00 0.00 C ATOM 1176 C LEU A 73 61.823 43.320 22.639 1.00 0.00 C ATOM 1177 O LEU A 73 62.603 43.893 21.881 1.00 0.00 O ATOM 1178 CB LEU A 73 61.405 41.567 20.828 1.00 0.00 C ATOM 1179 CG LEU A 73 60.884 40.188 20.430 1.00 0.00 C ATOM 1180 CD1 LEU A 73 60.952 40.041 18.913 1.00 0.00 C ATOM 1181 CD2 LEU A 73 61.683 39.054 21.065 1.00 0.00 C ATOM 0 H LEU A 73 59.255 42.186 22.203 1.00 0.00 H new ATOM 0 HA LEU A 73 61.971 41.256 22.862 1.00 0.00 H new ATOM 0 HB2 LEU A 73 60.857 42.318 20.259 1.00 0.00 H new ATOM 0 HB3 LEU A 73 62.450 41.639 20.528 1.00 0.00 H new ATOM 0 HG LEU A 73 59.857 40.116 20.788 1.00 0.00 H new ATOM 0 HD11 LEU A 73 60.581 39.057 18.626 1.00 0.00 H new ATOM 0 HD12 LEU A 73 60.339 40.811 18.445 1.00 0.00 H new ATOM 0 HD13 LEU A 73 61.985 40.149 18.583 1.00 0.00 H new ATOM 0 HD21 LEU A 73 61.270 38.096 20.748 1.00 0.00 H new ATOM 0 HD22 LEU A 73 62.724 39.122 20.750 1.00 0.00 H new ATOM 0 HD23 LEU A 73 61.626 39.133 22.151 1.00 0.00 H new ATOM 1193 N ARG A 74 61.374 43.893 23.751 1.00 0.00 N ATOM 1194 CA ARG A 74 61.841 45.161 24.274 1.00 0.00 C ATOM 1195 C ARG A 74 62.059 45.150 25.789 1.00 0.00 C ATOM 1196 O ARG A 74 62.099 46.201 26.426 1.00 0.00 O ATOM 1197 CB ARG A 74 60.940 46.285 23.772 1.00 0.00 C ATOM 1198 CG ARG A 74 61.697 47.591 23.551 1.00 0.00 C ATOM 1199 CD ARG A 74 60.910 48.613 22.735 1.00 0.00 C ATOM 1200 NE ARG A 74 60.710 48.163 21.358 1.00 0.00 N ATOM 1201 CZ ARG A 74 60.048 48.789 20.376 1.00 0.00 C ATOM 1202 NH1 ARG A 74 59.478 49.994 20.508 1.00 0.00 N ATOM 1203 NH2 ARG A 74 59.907 48.201 19.179 1.00 0.00 N ATOM 0 H ARG A 74 60.649 43.468 24.329 1.00 0.00 H new ATOM 0 HA ARG A 74 62.841 45.350 23.885 1.00 0.00 H new ATOM 0 HB2 ARG A 74 60.471 45.979 22.837 1.00 0.00 H new ATOM 0 HB3 ARG A 74 60.138 46.452 24.492 1.00 0.00 H new ATOM 0 HG2 ARG A 74 61.949 48.025 24.518 1.00 0.00 H new ATOM 0 HG3 ARG A 74 62.637 47.377 23.043 1.00 0.00 H new ATOM 0 HD2 ARG A 74 59.942 48.788 23.205 1.00 0.00 H new ATOM 0 HD3 ARG A 74 61.441 49.565 22.734 1.00 0.00 H new ATOM 0 HE ARG A 74 61.125 47.263 21.116 1.00 0.00 H new ATOM 0 HH11 ARG A 74 59.534 50.490 21.397 1.00 0.00 H new ATOM 0 HH12 ARG A 74 58.988 50.415 19.719 1.00 0.00 H new ATOM 0 HH21 ARG A 74 60.304 47.276 19.015 1.00 0.00 H new ATOM 0 HH22 ARG A 74 59.403 48.679 18.432 1.00 0.00 H new ATOM 1217 N GLY A 75 62.229 43.964 26.366 1.00 0.00 N ATOM 1218 CA GLY A 75 62.586 43.750 27.755 1.00 0.00 C ATOM 1219 C GLY A 75 61.519 44.096 28.796 1.00 0.00 C ATOM 1220 O GLY A 75 60.404 44.502 28.476 1.00 0.00 O ATOM 0 H GLY A 75 62.115 43.091 25.851 1.00 0.00 H new ATOM 0 HA2 GLY A 75 62.857 42.702 27.880 1.00 0.00 H new ATOM 0 HA3 GLY A 75 63.478 44.338 27.972 1.00 0.00 H new ATOM 1224 N GLY A 76 61.877 43.907 30.063 1.00 0.00 N ATOM 1225 CA GLY A 76 61.034 44.160 31.214 1.00 0.00 C ATOM 1226 C GLY A 76 61.414 43.297 32.420 1.00 0.00 C ATOM 1227 O GLY A 76 61.093 42.090 32.402 1.00 0.00 O ATOM 1228 OXT GLY A 76 62.044 43.833 33.357 1.00 0.00 O ATOM 0 H GLY A 76 62.801 43.559 30.320 1.00 0.00 H new ATOM 0 HA2 GLY A 76 61.105 45.213 31.488 1.00 0.00 H new ATOM 0 HA3 GLY A 76 59.994 43.969 30.948 1.00 0.00 H new TER 1232 GLY A 76