USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 587 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 27 GLN : amide:sc= -0.215 K(o=-1.2,f=-4.9!) USER MOD Set 1.2: A 41 GLN : amide:sc= -0.947 K(o=-1.2,f=-5.1) USER MOD Single : A 1 TRP N :NH3+ -170:sc= 1.23 (180deg=1.19) USER MOD Single : A 5 CYS SG : rot 40:sc= -2.93! USER MOD Single : A 6 LYS NZ :NH3+ 137:sc= 1.28 (180deg=-1.06) USER MOD Single : A 11 THR OG1 : rot 19:sc= 0.323 USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN : amide:sc= -4.19! K(o=-4.2!,f=-1.4) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -63:sc= 0.458 USER MOD Single : A 21 THR OG1 : rot 85:sc= 1.08 USER MOD Single : A 29 GLN : amide:sc= -1.21 K(o=-1.2,f=0) USER MOD Single : A 34 THR OG1 : rot -18:sc= 0.0614 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 150:sc= 0 USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0.00589 USER MOD Single : A 60 THR OG1 : rot -17:sc= 0.241 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= -0.0224 USER MOD Single : A 71 MET CE :methyl -170:sc= -0.0127 (180deg=-0.267) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 1 0.775 0.258 -1.031 1.00 0.00 N ATOM 2 CA TRP A 1 1.757 0.177 -2.130 1.00 0.00 C ATOM 3 C TRP A 1 3.158 -0.060 -1.551 1.00 0.00 C ATOM 4 O TRP A 1 3.474 0.399 -0.444 1.00 0.00 O ATOM 5 CB TRP A 1 1.767 1.466 -2.997 1.00 0.00 C ATOM 6 CG TRP A 1 0.470 1.812 -3.700 1.00 0.00 C ATOM 7 CD1 TRP A 1 -0.751 1.188 -3.609 1.00 0.00 C ATOM 8 CD2 TRP A 1 0.287 2.893 -4.618 1.00 0.00 C ATOM 9 NE1 TRP A 1 -1.666 1.824 -4.410 1.00 0.00 N ATOM 10 CE2 TRP A 1 -1.052 2.873 -5.039 1.00 0.00 C ATOM 11 CE3 TRP A 1 1.136 3.875 -5.123 1.00 0.00 C ATOM 12 CZ2 TRP A 1 -1.561 3.806 -5.935 1.00 0.00 C ATOM 13 CZ3 TRP A 1 0.630 4.801 -6.013 1.00 0.00 C ATOM 14 CH2 TRP A 1 -0.708 4.761 -6.415 1.00 0.00 C ATOM 0 H1 TRP A 1 -0.188 0.248 -1.424 1.00 0.00 H new ATOM 0 H2 TRP A 1 0.898 -0.556 -0.395 1.00 0.00 H new ATOM 0 H3 TRP A 1 0.922 1.139 -0.498 1.00 0.00 H new ATOM 0 HA TRP A 1 1.467 -0.655 -2.772 1.00 0.00 H new ATOM 0 HB2 TRP A 1 2.045 2.305 -2.359 1.00 0.00 H new ATOM 0 HB3 TRP A 1 2.548 1.366 -3.750 1.00 0.00 H new ATOM 0 HD1 TRP A 1 -0.960 0.323 -2.997 1.00 0.00 H new ATOM 0 HE1 TRP A 1 -2.645 1.558 -4.519 1.00 0.00 H new ATOM 0 HE3 TRP A 1 2.173 3.911 -4.823 1.00 0.00 H new ATOM 0 HZ2 TRP A 1 -2.596 3.778 -6.242 1.00 0.00 H new ATOM 0 HZ3 TRP A 1 1.279 5.570 -6.405 1.00 0.00 H new ATOM 0 HH2 TRP A 1 -1.074 5.496 -7.116 1.00 0.00 H new ATOM 27 N ARG A 2 3.975 -0.803 -2.303 1.00 0.00 N ATOM 28 CA ARG A 2 5.408 -0.980 -2.027 1.00 0.00 C ATOM 29 C ARG A 2 6.223 -0.105 -2.990 1.00 0.00 C ATOM 30 O ARG A 2 5.710 0.344 -4.021 1.00 0.00 O ATOM 31 CB ARG A 2 5.800 -2.475 -2.188 1.00 0.00 C ATOM 32 CG ARG A 2 5.219 -3.401 -1.093 1.00 0.00 C ATOM 33 CD ARG A 2 5.642 -4.871 -1.263 1.00 0.00 C ATOM 34 NE ARG A 2 5.198 -5.714 -0.134 1.00 0.00 N ATOM 35 CZ ARG A 2 4.949 -7.032 -0.193 1.00 0.00 C ATOM 36 NH1 ARG A 2 4.996 -7.689 -1.347 1.00 0.00 N ATOM 37 NH2 ARG A 2 4.625 -7.686 0.911 1.00 0.00 N ATOM 0 H ARG A 2 3.658 -1.306 -3.132 1.00 0.00 H new ATOM 0 HA ARG A 2 5.622 -0.677 -1.002 1.00 0.00 H new ATOM 0 HB2 ARG A 2 5.461 -2.826 -3.163 1.00 0.00 H new ATOM 0 HB3 ARG A 2 6.887 -2.558 -2.180 1.00 0.00 H new ATOM 0 HG2 ARG A 2 5.543 -3.046 -0.115 1.00 0.00 H new ATOM 0 HG3 ARG A 2 4.131 -3.337 -1.111 1.00 0.00 H new ATOM 0 HD2 ARG A 2 5.226 -5.262 -2.192 1.00 0.00 H new ATOM 0 HD3 ARG A 2 6.727 -4.927 -1.351 1.00 0.00 H new ATOM 0 HE ARG A 2 5.070 -5.255 0.768 1.00 0.00 H new ATOM 0 HH11 ARG A 2 5.224 -7.192 -2.208 1.00 0.00 H new ATOM 0 HH12 ARG A 2 4.804 -8.690 -1.372 1.00 0.00 H new ATOM 0 HH21 ARG A 2 4.566 -7.189 1.800 1.00 0.00 H new ATOM 0 HH22 ARG A 2 4.435 -8.687 0.873 1.00 0.00 H new ATOM 51 N VAL A 3 7.484 0.167 -2.624 1.00 0.00 N ATOM 52 CA VAL A 3 8.471 0.831 -3.502 1.00 0.00 C ATOM 53 C VAL A 3 9.837 0.141 -3.361 1.00 0.00 C ATOM 54 O VAL A 3 10.263 -0.189 -2.259 1.00 0.00 O ATOM 55 CB VAL A 3 8.597 2.383 -3.183 1.00 0.00 C ATOM 56 CG1 VAL A 3 9.898 3.004 -3.764 1.00 0.00 C ATOM 57 CG2 VAL A 3 7.353 3.149 -3.701 1.00 0.00 C ATOM 0 H VAL A 3 7.855 -0.068 -1.703 1.00 0.00 H new ATOM 0 HA VAL A 3 8.122 0.740 -4.531 1.00 0.00 H new ATOM 0 HB VAL A 3 8.650 2.482 -2.099 1.00 0.00 H new ATOM 0 HG11 VAL A 3 9.936 4.065 -3.518 1.00 0.00 H new ATOM 0 HG12 VAL A 3 10.764 2.501 -3.335 1.00 0.00 H new ATOM 0 HG13 VAL A 3 9.907 2.882 -4.847 1.00 0.00 H new ATOM 0 HG21 VAL A 3 7.458 4.210 -3.473 1.00 0.00 H new ATOM 0 HG22 VAL A 3 7.267 3.016 -4.779 1.00 0.00 H new ATOM 0 HG23 VAL A 3 6.458 2.760 -3.215 1.00 0.00 H new ATOM 67 N ARG A 4 10.505 -0.079 -4.503 1.00 0.00 N ATOM 68 CA ARG A 4 11.879 -0.591 -4.560 1.00 0.00 C ATOM 69 C ARG A 4 12.808 0.584 -4.918 1.00 0.00 C ATOM 70 O ARG A 4 12.950 0.937 -6.094 1.00 0.00 O ATOM 71 CB ARG A 4 11.969 -1.734 -5.614 1.00 0.00 C ATOM 72 CG ARG A 4 11.032 -2.923 -5.324 1.00 0.00 C ATOM 73 CD ARG A 4 11.089 -4.025 -6.392 1.00 0.00 C ATOM 74 NE ARG A 4 10.322 -5.217 -5.974 1.00 0.00 N ATOM 75 CZ ARG A 4 9.463 -5.912 -6.740 1.00 0.00 C ATOM 76 NH1 ARG A 4 9.181 -5.528 -7.977 1.00 0.00 N ATOM 77 NH2 ARG A 4 8.888 -6.998 -6.243 1.00 0.00 N ATOM 0 H ARG A 4 10.100 0.096 -5.423 1.00 0.00 H new ATOM 0 HA ARG A 4 12.183 -1.008 -3.600 1.00 0.00 H new ATOM 0 HB2 ARG A 4 11.732 -1.328 -6.597 1.00 0.00 H new ATOM 0 HB3 ARG A 4 12.996 -2.095 -5.658 1.00 0.00 H new ATOM 0 HG2 ARG A 4 11.292 -3.352 -4.357 1.00 0.00 H new ATOM 0 HG3 ARG A 4 10.008 -2.557 -5.245 1.00 0.00 H new ATOM 0 HD2 ARG A 4 10.690 -3.644 -7.332 1.00 0.00 H new ATOM 0 HD3 ARG A 4 12.127 -4.303 -6.576 1.00 0.00 H new ATOM 0 HE ARG A 4 10.457 -5.542 -5.017 1.00 0.00 H new ATOM 0 HH11 ARG A 4 9.618 -4.692 -8.364 1.00 0.00 H new ATOM 0 HH12 ARG A 4 8.527 -6.069 -8.542 1.00 0.00 H new ATOM 0 HH21 ARG A 4 9.099 -7.297 -5.291 1.00 0.00 H new ATOM 0 HH22 ARG A 4 8.234 -7.535 -6.813 1.00 0.00 H new ATOM 91 N CYS A 5 13.404 1.217 -3.884 1.00 0.00 N ATOM 92 CA CYS A 5 14.238 2.419 -4.055 1.00 0.00 C ATOM 93 C CYS A 5 15.672 2.020 -4.423 1.00 0.00 C ATOM 94 O CYS A 5 16.440 1.560 -3.572 1.00 0.00 O ATOM 95 CB CYS A 5 14.223 3.308 -2.785 1.00 0.00 C ATOM 96 SG CYS A 5 14.980 2.568 -1.319 1.00 0.00 S ATOM 0 H CYS A 5 13.319 0.909 -2.915 1.00 0.00 H new ATOM 0 HA CYS A 5 13.817 3.008 -4.870 1.00 0.00 H new ATOM 0 HB2 CYS A 5 14.739 4.242 -3.008 1.00 0.00 H new ATOM 0 HB3 CYS A 5 13.189 3.563 -2.551 1.00 0.00 H new ATOM 0 HG CYS A 5 16.048 1.914 -1.666 1.00 0.00 H new ATOM 102 N LYS A 6 16.002 2.151 -5.715 1.00 0.00 N ATOM 103 CA LYS A 6 17.357 1.905 -6.225 1.00 0.00 C ATOM 104 C LYS A 6 18.232 3.143 -5.932 1.00 0.00 C ATOM 105 O LYS A 6 18.167 4.145 -6.650 1.00 0.00 O ATOM 106 CB LYS A 6 17.318 1.606 -7.748 1.00 0.00 C ATOM 107 CG LYS A 6 18.704 1.298 -8.369 1.00 0.00 C ATOM 108 CD LYS A 6 19.293 -0.074 -7.937 1.00 0.00 C ATOM 109 CE LYS A 6 18.426 -1.268 -8.386 1.00 0.00 C ATOM 110 NZ LYS A 6 18.180 -1.284 -9.845 1.00 0.00 N ATOM 0 H LYS A 6 15.337 2.431 -6.436 1.00 0.00 H new ATOM 0 HA LYS A 6 17.784 1.034 -5.727 1.00 0.00 H new ATOM 0 HB2 LYS A 6 16.657 0.758 -7.924 1.00 0.00 H new ATOM 0 HB3 LYS A 6 16.883 2.462 -8.264 1.00 0.00 H new ATOM 0 HG2 LYS A 6 18.618 1.320 -9.455 1.00 0.00 H new ATOM 0 HG3 LYS A 6 19.401 2.087 -8.088 1.00 0.00 H new ATOM 0 HD2 LYS A 6 20.294 -0.181 -8.354 1.00 0.00 H new ATOM 0 HD3 LYS A 6 19.396 -0.094 -6.852 1.00 0.00 H new ATOM 0 HE2 LYS A 6 18.917 -2.197 -8.095 1.00 0.00 H new ATOM 0 HE3 LYS A 6 17.471 -1.235 -7.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 18.287 -2.254 -10.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 17.215 -0.947 -10.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 18.865 -0.662 -10.319 1.00 0.00 H new ATOM 124 N ALA A 7 19.025 3.073 -4.858 1.00 0.00 N ATOM 125 CA ALA A 7 19.825 4.207 -4.371 1.00 0.00 C ATOM 126 C ALA A 7 21.302 3.821 -4.324 1.00 0.00 C ATOM 127 O ALA A 7 21.715 3.072 -3.435 1.00 0.00 O ATOM 128 CB ALA A 7 19.317 4.644 -2.990 1.00 0.00 C ATOM 0 H ALA A 7 19.132 2.227 -4.299 1.00 0.00 H new ATOM 0 HA ALA A 7 19.720 5.050 -5.054 1.00 0.00 H new ATOM 0 HB1 ALA A 7 19.912 5.484 -2.633 1.00 0.00 H new ATOM 0 HB2 ALA A 7 18.272 4.945 -3.065 1.00 0.00 H new ATOM 0 HB3 ALA A 7 19.405 3.813 -2.290 1.00 0.00 H new ATOM 170 N THR A 11 19.317 -1.280 -3.273 1.00 0.00 N ATOM 171 CA THR A 11 17.853 -1.340 -3.414 1.00 0.00 C ATOM 172 C THR A 11 17.219 -1.686 -2.063 1.00 0.00 C ATOM 173 O THR A 11 17.615 -2.673 -1.431 1.00 0.00 O ATOM 174 CB THR A 11 17.415 -2.413 -4.460 1.00 0.00 C ATOM 175 OG1 THR A 11 18.317 -2.390 -5.563 1.00 0.00 O ATOM 176 CG2 THR A 11 15.975 -2.166 -4.965 1.00 0.00 C ATOM 0 HA THR A 11 17.517 -0.362 -3.759 1.00 0.00 H new ATOM 0 HB THR A 11 17.435 -3.388 -3.973 1.00 0.00 H new ATOM 0 HG1 THR A 11 19.151 -1.951 -5.294 1.00 0.00 H new ATOM 0 HG21 THR A 11 15.707 -2.934 -5.691 1.00 0.00 H new ATOM 0 HG22 THR A 11 15.283 -2.205 -4.124 1.00 0.00 H new ATOM 0 HG23 THR A 11 15.918 -1.185 -5.436 1.00 0.00 H new ATOM 184 N HIS A 12 16.243 -0.877 -1.619 1.00 0.00 N ATOM 185 CA HIS A 12 15.554 -1.094 -0.329 1.00 0.00 C ATOM 186 C HIS A 12 14.038 -1.017 -0.512 1.00 0.00 C ATOM 187 O HIS A 12 13.547 -0.283 -1.376 1.00 0.00 O ATOM 188 CB HIS A 12 16.044 -0.071 0.724 1.00 0.00 C ATOM 189 CG HIS A 12 17.530 -0.123 0.957 1.00 0.00 C ATOM 190 ND1 HIS A 12 18.141 -1.157 1.627 1.00 0.00 N ATOM 191 CD2 HIS A 12 18.528 0.694 0.544 1.00 0.00 C ATOM 192 CE1 HIS A 12 19.444 -0.975 1.618 1.00 0.00 C ATOM 193 NE2 HIS A 12 19.708 0.138 0.965 1.00 0.00 N ATOM 0 H HIS A 12 15.910 -0.062 -2.135 1.00 0.00 H new ATOM 0 HA HIS A 12 15.797 -2.093 0.034 1.00 0.00 H new ATOM 0 HB2 HIS A 12 15.769 0.933 0.401 1.00 0.00 H new ATOM 0 HB3 HIS A 12 15.529 -0.255 1.667 1.00 0.00 H new ATOM 0 HD2 HIS A 12 18.415 1.612 -0.013 1.00 0.00 H new ATOM 0 HE1 HIS A 12 20.175 -1.629 2.070 1.00 0.00 H new ATOM 0 HE2 HIS A 12 20.638 0.523 0.800 1.00 0.00 H new ATOM 202 N LEU A 13 13.298 -1.770 0.315 1.00 0.00 N ATOM 203 CA LEU A 13 11.842 -1.916 0.184 1.00 0.00 C ATOM 204 C LEU A 13 11.130 -0.971 1.172 1.00 0.00 C ATOM 205 O LEU A 13 11.256 -1.134 2.390 1.00 0.00 O ATOM 206 CB LEU A 13 11.423 -3.411 0.418 1.00 0.00 C ATOM 207 CG LEU A 13 10.491 -4.048 -0.657 1.00 0.00 C ATOM 208 CD1 LEU A 13 9.212 -3.217 -0.863 1.00 0.00 C ATOM 209 CD2 LEU A 13 11.252 -4.269 -1.975 1.00 0.00 C ATOM 0 H LEU A 13 13.694 -2.296 1.095 1.00 0.00 H new ATOM 0 HA LEU A 13 11.540 -1.640 -0.827 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.329 -4.013 0.484 1.00 0.00 H new ATOM 0 HB3 LEU A 13 10.925 -3.478 1.385 1.00 0.00 H new ATOM 0 HG LEU A 13 10.173 -5.025 -0.291 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.587 -3.692 -1.619 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.662 -3.157 0.076 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.480 -2.213 -1.192 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.583 -4.714 -2.711 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.618 -3.313 -2.349 1.00 0.00 H new ATOM 0 HD23 LEU A 13 12.096 -4.937 -1.801 1.00 0.00 H new ATOM 221 N LEU A 14 10.421 0.029 0.622 1.00 0.00 N ATOM 222 CA LEU A 14 9.544 0.928 1.383 1.00 0.00 C ATOM 223 C LEU A 14 8.135 0.322 1.441 1.00 0.00 C ATOM 224 O LEU A 14 7.566 -0.049 0.402 1.00 0.00 O ATOM 225 CB LEU A 14 9.476 2.355 0.743 1.00 0.00 C ATOM 226 CG LEU A 14 10.764 3.246 0.819 1.00 0.00 C ATOM 227 CD1 LEU A 14 11.920 2.671 -0.025 1.00 0.00 C ATOM 228 CD2 LEU A 14 10.457 4.717 0.417 1.00 0.00 C ATOM 0 H LEU A 14 10.443 0.236 -0.376 1.00 0.00 H new ATOM 0 HA LEU A 14 9.955 1.036 2.387 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.208 2.240 -0.307 1.00 0.00 H new ATOM 0 HB3 LEU A 14 8.662 2.899 1.221 1.00 0.00 H new ATOM 0 HG LEU A 14 11.092 3.240 1.859 1.00 0.00 H new ATOM 0 HD11 LEU A 14 12.790 3.322 0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 14 12.175 1.675 0.338 1.00 0.00 H new ATOM 0 HD13 LEU A 14 11.612 2.609 -1.069 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.370 5.309 0.480 1.00 0.00 H new ATOM 0 HD22 LEU A 14 10.077 4.743 -0.604 1.00 0.00 H new ATOM 0 HD23 LEU A 14 9.709 5.130 1.093 1.00 0.00 H new ATOM 240 N GLN A 15 7.586 0.200 2.657 1.00 0.00 N ATOM 241 CA GLN A 15 6.180 -0.195 2.874 1.00 0.00 C ATOM 242 C GLN A 15 5.398 0.999 3.432 1.00 0.00 C ATOM 243 O GLN A 15 5.992 1.957 3.940 1.00 0.00 O ATOM 244 CB GLN A 15 6.063 -1.404 3.850 1.00 0.00 C ATOM 245 CG GLN A 15 6.680 -2.733 3.350 1.00 0.00 C ATOM 246 CD GLN A 15 8.210 -2.770 3.359 1.00 0.00 C ATOM 247 OE1 GLN A 15 8.865 -2.129 4.180 1.00 0.00 O ATOM 248 NE2 GLN A 15 8.790 -3.520 2.450 1.00 0.00 N ATOM 0 H GLN A 15 8.101 0.371 3.521 1.00 0.00 H new ATOM 0 HA GLN A 15 5.763 -0.503 1.915 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.541 -1.135 4.792 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.008 -1.573 4.065 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.307 -3.548 3.971 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.331 -2.920 2.334 1.00 0.00 H new ATOM 0 HE21 GLN A 15 8.223 -4.041 1.781 1.00 0.00 H new ATOM 0 HE22 GLN A 15 9.807 -3.581 2.413 1.00 0.00 H new ATOM 257 N GLY A 16 4.065 0.929 3.320 1.00 0.00 N ATOM 258 CA GLY A 16 3.171 1.941 3.884 1.00 0.00 C ATOM 259 C GLY A 16 2.980 3.134 2.969 1.00 0.00 C ATOM 260 O GLY A 16 2.842 4.269 3.438 1.00 0.00 O ATOM 0 H GLY A 16 3.581 0.172 2.838 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.201 1.488 4.089 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.572 2.282 4.838 1.00 0.00 H new ATOM 264 N LEU A 17 2.995 2.881 1.649 1.00 0.00 N ATOM 265 CA LEU A 17 2.712 3.906 0.636 1.00 0.00 C ATOM 266 C LEU A 17 1.217 3.879 0.299 1.00 0.00 C ATOM 267 O LEU A 17 0.705 2.869 -0.178 1.00 0.00 O ATOM 268 CB LEU A 17 3.564 3.706 -0.659 1.00 0.00 C ATOM 269 CG LEU A 17 5.083 4.053 -0.574 1.00 0.00 C ATOM 270 CD1 LEU A 17 5.286 5.493 -0.082 1.00 0.00 C ATOM 271 CD2 LEU A 17 5.866 3.040 0.286 1.00 0.00 C ATOM 0 H LEU A 17 3.203 1.962 1.258 1.00 0.00 H new ATOM 0 HA LEU A 17 2.985 4.877 1.049 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.472 2.664 -0.966 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.123 4.312 -1.451 1.00 0.00 H new ATOM 0 HG LEU A 17 5.491 3.981 -1.582 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.352 5.713 -0.030 1.00 0.00 H new ATOM 0 HD12 LEU A 17 4.806 6.185 -0.774 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.844 5.605 0.908 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.918 3.324 0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.463 3.035 1.299 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.771 2.044 -0.147 1.00 0.00 H new ATOM 283 N SER A 18 0.525 4.979 0.598 1.00 0.00 N ATOM 284 CA SER A 18 -0.873 5.200 0.185 1.00 0.00 C ATOM 285 C SER A 18 -0.902 5.929 -1.166 1.00 0.00 C ATOM 286 O SER A 18 0.118 6.461 -1.607 1.00 0.00 O ATOM 287 CB SER A 18 -1.615 6.015 1.267 1.00 0.00 C ATOM 288 OG SER A 18 -1.601 5.326 2.510 1.00 0.00 O ATOM 0 H SER A 18 0.916 5.751 1.137 1.00 0.00 H new ATOM 0 HA SER A 18 -1.378 4.241 0.072 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.144 6.991 1.381 1.00 0.00 H new ATOM 0 HB3 SER A 18 -2.644 6.192 0.955 1.00 0.00 H new ATOM 0 HG SER A 18 -2.074 5.858 3.184 1.00 0.00 H new ATOM 294 N SER A 19 -2.073 5.962 -1.813 1.00 0.00 N ATOM 295 CA SER A 19 -2.250 6.651 -3.107 1.00 0.00 C ATOM 296 C SER A 19 -2.044 8.185 -2.974 1.00 0.00 C ATOM 297 O SER A 19 -1.664 8.863 -3.938 1.00 0.00 O ATOM 298 CB SER A 19 -3.653 6.336 -3.660 1.00 0.00 C ATOM 299 OG SER A 19 -3.860 4.933 -3.742 1.00 0.00 O ATOM 0 H SER A 19 -2.921 5.517 -1.462 1.00 0.00 H new ATOM 0 HA SER A 19 -1.492 6.287 -3.801 1.00 0.00 H new ATOM 0 HB2 SER A 19 -4.411 6.783 -3.017 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.769 6.783 -4.647 1.00 0.00 H new ATOM 0 HG SER A 19 -3.217 4.544 -4.371 1.00 0.00 H new ATOM 305 N ARG A 20 -2.276 8.704 -1.751 1.00 0.00 N ATOM 306 CA ARG A 20 -2.210 10.150 -1.445 1.00 0.00 C ATOM 307 C ARG A 20 -0.818 10.592 -0.940 1.00 0.00 C ATOM 308 O ARG A 20 -0.652 11.768 -0.581 1.00 0.00 O ATOM 309 CB ARG A 20 -3.276 10.500 -0.368 1.00 0.00 C ATOM 310 CG ARG A 20 -3.016 9.858 1.019 1.00 0.00 C ATOM 311 CD ARG A 20 -4.077 10.243 2.061 1.00 0.00 C ATOM 312 NE ARG A 20 -5.426 9.764 1.693 1.00 0.00 N ATOM 313 CZ ARG A 20 -6.569 10.432 1.915 1.00 0.00 C ATOM 314 NH1 ARG A 20 -6.552 11.652 2.445 1.00 0.00 N ATOM 315 NH2 ARG A 20 -7.727 9.880 1.590 1.00 0.00 N ATOM 0 H ARG A 20 -2.516 8.130 -0.943 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.405 10.684 -2.375 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.317 11.583 -0.252 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.255 10.181 -0.725 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -2.993 8.773 0.914 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.033 10.164 1.378 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -3.799 9.828 3.030 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.097 11.327 2.172 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.494 8.855 1.235 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.664 12.090 2.688 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.427 12.149 2.609 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.749 8.950 1.172 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.597 10.385 1.757 1.00 0.00 H new ATOM 329 N THR A 21 0.163 9.665 -0.900 1.00 0.00 N ATOM 330 CA THR A 21 1.515 9.951 -0.379 1.00 0.00 C ATOM 331 C THR A 21 2.180 11.107 -1.175 1.00 0.00 C ATOM 332 O THR A 21 2.365 11.020 -2.390 1.00 0.00 O ATOM 333 CB THR A 21 2.410 8.674 -0.412 1.00 0.00 C ATOM 334 OG1 THR A 21 1.773 7.614 0.309 1.00 0.00 O ATOM 335 CG2 THR A 21 3.798 8.909 0.185 1.00 0.00 C ATOM 0 H THR A 21 0.041 8.706 -1.225 1.00 0.00 H new ATOM 0 HA THR A 21 1.414 10.265 0.660 1.00 0.00 H new ATOM 0 HB THR A 21 2.537 8.408 -1.461 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.145 7.148 -0.282 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.376 7.986 0.135 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.309 9.689 -0.379 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.699 9.219 1.225 1.00 0.00 H new ATOM 343 N ARG A 22 2.490 12.199 -0.461 1.00 0.00 N ATOM 344 CA ARG A 22 3.018 13.449 -1.048 1.00 0.00 C ATOM 345 C ARG A 22 4.558 13.410 -1.171 1.00 0.00 C ATOM 346 O ARG A 22 5.163 12.386 -0.871 1.00 0.00 O ATOM 347 CB ARG A 22 2.553 14.642 -0.168 1.00 0.00 C ATOM 348 CG ARG A 22 1.025 14.676 0.039 1.00 0.00 C ATOM 349 CD ARG A 22 0.546 15.832 0.925 1.00 0.00 C ATOM 350 NE ARG A 22 0.970 15.710 2.335 1.00 0.00 N ATOM 351 CZ ARG A 22 0.646 16.588 3.303 1.00 0.00 C ATOM 352 NH1 ARG A 22 -0.003 17.708 3.016 1.00 0.00 N ATOM 353 NH2 ARG A 22 1.005 16.355 4.555 1.00 0.00 N ATOM 0 H ARG A 22 2.382 12.244 0.552 1.00 0.00 H new ATOM 0 HA ARG A 22 2.629 13.567 -2.059 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.045 14.584 0.803 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.873 15.575 -0.632 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.538 14.750 -0.933 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.707 13.733 0.484 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.925 16.770 0.520 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.542 15.883 0.884 1.00 0.00 H new ATOM 0 HE ARG A 22 1.546 14.908 2.592 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.263 17.914 2.051 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.242 18.364 3.760 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.527 15.510 4.787 1.00 0.00 H new ATOM 0 HH22 ARG A 22 0.759 17.020 5.288 1.00 0.00 H new ATOM 367 N LEU A 23 5.172 14.532 -1.628 1.00 0.00 N ATOM 368 CA LEU A 23 6.657 14.704 -1.682 1.00 0.00 C ATOM 369 C LEU A 23 7.242 14.450 -0.285 1.00 0.00 C ATOM 370 O LEU A 23 8.057 13.544 -0.094 1.00 0.00 O ATOM 371 CB LEU A 23 7.002 16.160 -2.162 1.00 0.00 C ATOM 372 CG LEU A 23 8.515 16.568 -2.449 1.00 0.00 C ATOM 373 CD1 LEU A 23 8.586 17.978 -3.062 1.00 0.00 C ATOM 374 CD2 LEU A 23 9.468 16.513 -1.219 1.00 0.00 C ATOM 0 H LEU A 23 4.658 15.344 -1.970 1.00 0.00 H new ATOM 0 HA LEU A 23 7.089 13.993 -2.387 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.438 16.341 -3.077 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.618 16.849 -1.409 1.00 0.00 H new ATOM 0 HG LEU A 23 8.870 15.808 -3.145 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.627 18.240 -3.252 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.031 17.995 -4.000 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.151 18.698 -2.369 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.472 16.809 -1.523 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.107 17.194 -0.448 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.493 15.498 -0.823 1.00 0.00 H new ATOM 386 N ARG A 24 6.794 15.289 0.664 1.00 0.00 N ATOM 387 CA ARG A 24 7.285 15.312 2.057 1.00 0.00 C ATOM 388 C ARG A 24 7.169 13.950 2.770 1.00 0.00 C ATOM 389 O ARG A 24 7.907 13.677 3.722 1.00 0.00 O ATOM 390 CB ARG A 24 6.520 16.397 2.858 1.00 0.00 C ATOM 391 CG ARG A 24 4.979 16.322 2.720 1.00 0.00 C ATOM 392 CD ARG A 24 4.249 17.100 3.812 1.00 0.00 C ATOM 393 NE ARG A 24 4.393 16.433 5.115 1.00 0.00 N ATOM 394 CZ ARG A 24 4.199 16.997 6.308 1.00 0.00 C ATOM 395 NH1 ARG A 24 3.944 18.287 6.424 1.00 0.00 N ATOM 396 NH2 ARG A 24 4.271 16.252 7.395 1.00 0.00 N ATOM 0 H ARG A 24 6.068 15.983 0.484 1.00 0.00 H new ATOM 0 HA ARG A 24 8.348 15.547 2.014 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.784 16.308 3.912 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.855 17.380 2.528 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.687 16.712 1.745 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.666 15.278 2.753 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.647 18.113 3.871 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.193 17.187 3.558 1.00 0.00 H new ATOM 0 HE ARG A 24 4.666 15.450 5.105 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.892 18.873 5.591 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.799 18.697 7.347 1.00 0.00 H new ATOM 0 HH21 ARG A 24 4.473 15.255 7.318 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.124 16.673 8.312 1.00 0.00 H new ATOM 410 N GLU A 25 6.237 13.113 2.300 1.00 0.00 N ATOM 411 CA GLU A 25 5.991 11.787 2.875 1.00 0.00 C ATOM 412 C GLU A 25 6.906 10.762 2.177 1.00 0.00 C ATOM 413 O GLU A 25 7.678 10.081 2.826 1.00 0.00 O ATOM 414 CB GLU A 25 4.480 11.411 2.716 1.00 0.00 C ATOM 415 CG GLU A 25 3.475 12.593 2.789 1.00 0.00 C ATOM 416 CD GLU A 25 3.293 13.273 4.163 1.00 0.00 C ATOM 417 OE1 GLU A 25 4.272 13.457 4.913 1.00 0.00 O ATOM 418 OE2 GLU A 25 2.158 13.682 4.477 1.00 0.00 O ATOM 0 H GLU A 25 5.632 13.337 1.510 1.00 0.00 H new ATOM 0 HA GLU A 25 6.220 11.788 3.941 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.350 10.908 1.758 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.221 10.691 3.492 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.792 13.352 2.074 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.501 12.231 2.458 1.00 0.00 H new ATOM 425 N LEU A 26 6.834 10.728 0.834 1.00 0.00 N ATOM 426 CA LEU A 26 7.540 9.742 -0.010 1.00 0.00 C ATOM 427 C LEU A 26 9.066 9.960 0.059 1.00 0.00 C ATOM 428 O LEU A 26 9.790 9.113 0.600 1.00 0.00 O ATOM 429 CB LEU A 26 6.973 9.821 -1.473 1.00 0.00 C ATOM 430 CG LEU A 26 7.502 8.800 -2.557 1.00 0.00 C ATOM 431 CD1 LEU A 26 8.795 9.282 -3.225 1.00 0.00 C ATOM 432 CD2 LEU A 26 7.683 7.381 -1.977 1.00 0.00 C ATOM 0 H LEU A 26 6.277 11.392 0.296 1.00 0.00 H new ATOM 0 HA LEU A 26 7.363 8.732 0.361 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.891 9.705 -1.413 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.166 10.827 -1.847 1.00 0.00 H new ATOM 0 HG LEU A 26 6.732 8.749 -3.327 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.120 8.547 -3.962 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.615 10.237 -3.719 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.571 9.405 -2.469 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.048 6.713 -2.757 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.403 7.411 -1.159 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.726 7.015 -1.605 1.00 0.00 H new ATOM 444 N GLN A 27 9.535 11.114 -0.459 1.00 0.00 N ATOM 445 CA GLN A 27 10.971 11.477 -0.433 1.00 0.00 C ATOM 446 C GLN A 27 11.458 11.712 1.013 1.00 0.00 C ATOM 447 O GLN A 27 12.669 11.673 1.280 1.00 0.00 O ATOM 448 CB GLN A 27 11.276 12.724 -1.315 1.00 0.00 C ATOM 449 CG GLN A 27 10.976 12.558 -2.822 1.00 0.00 C ATOM 450 CD GLN A 27 11.600 13.673 -3.679 1.00 0.00 C ATOM 451 OE1 GLN A 27 11.000 14.725 -3.890 1.00 0.00 O ATOM 452 NE2 GLN A 27 12.805 13.447 -4.194 1.00 0.00 N ATOM 0 H GLN A 27 8.940 11.814 -0.902 1.00 0.00 H new ATOM 0 HA GLN A 27 11.517 10.633 -0.854 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.696 13.566 -0.937 1.00 0.00 H new ATOM 0 HB3 GLN A 27 12.328 12.983 -1.197 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.353 11.592 -3.159 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.897 12.549 -2.974 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.283 12.566 -4.005 1.00 0.00 H new ATOM 0 HE22 GLN A 27 13.251 14.154 -4.778 1.00 0.00 H new ATOM 461 N GLY A 28 10.498 11.946 1.928 1.00 0.00 N ATOM 462 CA GLY A 28 10.780 12.066 3.361 1.00 0.00 C ATOM 463 C GLY A 28 11.134 10.720 3.990 1.00 0.00 C ATOM 464 O GLY A 28 12.019 10.641 4.852 1.00 0.00 O ATOM 0 H GLY A 28 9.512 12.056 1.691 1.00 0.00 H new ATOM 0 HA2 GLY A 28 11.604 12.764 3.511 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.911 12.485 3.868 1.00 0.00 H new ATOM 468 N GLN A 29 10.450 9.645 3.535 1.00 0.00 N ATOM 469 CA GLN A 29 10.743 8.262 3.973 1.00 0.00 C ATOM 470 C GLN A 29 12.077 7.814 3.386 1.00 0.00 C ATOM 471 O GLN A 29 12.841 7.151 4.056 1.00 0.00 O ATOM 472 CB GLN A 29 9.620 7.273 3.557 1.00 0.00 C ATOM 473 CG GLN A 29 8.289 7.477 4.307 1.00 0.00 C ATOM 474 CD GLN A 29 7.142 6.584 3.818 1.00 0.00 C ATOM 475 OE1 GLN A 29 6.255 6.227 4.588 1.00 0.00 O ATOM 476 NE2 GLN A 29 7.130 6.236 2.538 1.00 0.00 N ATOM 0 H GLN A 29 9.687 9.711 2.861 1.00 0.00 H new ATOM 0 HA GLN A 29 10.796 8.258 5.062 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.440 7.374 2.487 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.967 6.254 3.727 1.00 0.00 H new ATOM 0 HG2 GLN A 29 8.452 7.290 5.368 1.00 0.00 H new ATOM 0 HG3 GLN A 29 7.988 8.520 4.210 1.00 0.00 H new ATOM 0 HE21 GLN A 29 7.879 6.545 1.918 1.00 0.00 H new ATOM 0 HE22 GLN A 29 6.372 5.659 2.173 1.00 0.00 H new ATOM 485 N ILE A 30 12.332 8.204 2.125 1.00 0.00 N ATOM 486 CA ILE A 30 13.596 7.918 1.416 1.00 0.00 C ATOM 487 C ILE A 30 14.808 8.540 2.173 1.00 0.00 C ATOM 488 O ILE A 30 15.875 7.920 2.278 1.00 0.00 O ATOM 489 CB ILE A 30 13.518 8.460 -0.060 1.00 0.00 C ATOM 490 CG1 ILE A 30 12.428 7.687 -0.883 1.00 0.00 C ATOM 491 CG2 ILE A 30 14.892 8.413 -0.767 1.00 0.00 C ATOM 492 CD1 ILE A 30 12.183 8.223 -2.285 1.00 0.00 C ATOM 0 H ILE A 30 11.663 8.731 1.563 1.00 0.00 H new ATOM 0 HA ILE A 30 13.743 6.838 1.384 1.00 0.00 H new ATOM 0 HB ILE A 30 13.223 9.508 -0.007 1.00 0.00 H new ATOM 0 HG12 ILE A 30 12.724 6.641 -0.957 1.00 0.00 H new ATOM 0 HG13 ILE A 30 11.489 7.715 -0.330 1.00 0.00 H new ATOM 0 HG21 ILE A 30 14.792 8.796 -1.783 1.00 0.00 H new ATOM 0 HG22 ILE A 30 15.606 9.026 -0.217 1.00 0.00 H new ATOM 0 HG23 ILE A 30 15.249 7.384 -0.801 1.00 0.00 H new ATOM 0 HD11 ILE A 30 11.414 7.625 -2.774 1.00 0.00 H new ATOM 0 HD12 ILE A 30 11.852 9.260 -2.225 1.00 0.00 H new ATOM 0 HD13 ILE A 30 13.106 8.169 -2.862 1.00 0.00 H new ATOM 504 N ALA A 31 14.598 9.753 2.719 1.00 0.00 N ATOM 505 CA ALA A 31 15.588 10.467 3.561 1.00 0.00 C ATOM 506 C ALA A 31 15.931 9.676 4.845 1.00 0.00 C ATOM 507 O ALA A 31 16.994 9.866 5.437 1.00 0.00 O ATOM 508 CB ALA A 31 15.069 11.877 3.902 1.00 0.00 C ATOM 0 H ALA A 31 13.730 10.273 2.589 1.00 0.00 H new ATOM 0 HA ALA A 31 16.512 10.559 2.990 1.00 0.00 H new ATOM 0 HB1 ALA A 31 15.802 12.395 4.521 1.00 0.00 H new ATOM 0 HB2 ALA A 31 14.910 12.439 2.981 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.128 11.797 4.445 1.00 0.00 H new ATOM 514 N ALA A 32 14.993 8.813 5.269 1.00 0.00 N ATOM 515 CA ALA A 32 15.159 7.924 6.433 1.00 0.00 C ATOM 516 C ALA A 32 15.718 6.538 6.012 1.00 0.00 C ATOM 517 O ALA A 32 16.516 5.946 6.742 1.00 0.00 O ATOM 518 CB ALA A 32 13.810 7.774 7.157 1.00 0.00 C ATOM 0 H ALA A 32 14.088 8.711 4.809 1.00 0.00 H new ATOM 0 HA ALA A 32 15.885 8.370 7.113 1.00 0.00 H new ATOM 0 HB1 ALA A 32 13.930 7.117 8.018 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.466 8.753 7.492 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.076 7.346 6.474 1.00 0.00 H new ATOM 524 N ILE A 33 15.300 6.050 4.820 1.00 0.00 N ATOM 525 CA ILE A 33 15.654 4.705 4.311 1.00 0.00 C ATOM 526 C ILE A 33 17.136 4.662 3.888 1.00 0.00 C ATOM 527 O ILE A 33 17.959 4.019 4.536 1.00 0.00 O ATOM 528 CB ILE A 33 14.726 4.285 3.088 1.00 0.00 C ATOM 529 CG1 ILE A 33 13.227 4.124 3.523 1.00 0.00 C ATOM 530 CG2 ILE A 33 15.233 2.998 2.385 1.00 0.00 C ATOM 531 CD1 ILE A 33 12.937 2.966 4.464 1.00 0.00 C ATOM 0 H ILE A 33 14.706 6.580 4.183 1.00 0.00 H new ATOM 0 HA ILE A 33 15.493 3.992 5.120 1.00 0.00 H new ATOM 0 HB ILE A 33 14.781 5.099 2.366 1.00 0.00 H new ATOM 0 HG12 ILE A 33 12.905 5.048 4.003 1.00 0.00 H new ATOM 0 HG13 ILE A 33 12.618 4.002 2.627 1.00 0.00 H new ATOM 0 HG21 ILE A 33 14.569 2.750 1.557 1.00 0.00 H new ATOM 0 HG22 ILE A 33 16.241 3.164 2.004 1.00 0.00 H new ATOM 0 HG23 ILE A 33 15.246 2.174 3.099 1.00 0.00 H new ATOM 0 HD11 ILE A 33 11.873 2.947 4.700 1.00 0.00 H new ATOM 0 HD12 ILE A 33 13.219 2.028 3.985 1.00 0.00 H new ATOM 0 HD13 ILE A 33 13.511 3.091 5.382 1.00 0.00 H new ATOM 543 N THR A 34 17.459 5.381 2.807 1.00 0.00 N ATOM 544 CA THR A 34 18.809 5.391 2.214 1.00 0.00 C ATOM 545 C THR A 34 19.625 6.597 2.717 1.00 0.00 C ATOM 546 O THR A 34 20.855 6.623 2.586 1.00 0.00 O ATOM 547 CB THR A 34 18.724 5.380 0.651 1.00 0.00 C ATOM 548 OG1 THR A 34 20.035 5.474 0.069 1.00 0.00 O ATOM 549 CG2 THR A 34 17.827 6.503 0.104 1.00 0.00 C ATOM 0 H THR A 34 16.792 5.975 2.314 1.00 0.00 H new ATOM 0 HA THR A 34 19.327 4.486 2.532 1.00 0.00 H new ATOM 0 HB THR A 34 18.271 4.430 0.369 1.00 0.00 H new ATOM 0 HG1 THR A 34 20.667 5.810 0.739 1.00 0.00 H new ATOM 0 HG21 THR A 34 17.802 6.451 -0.984 1.00 0.00 H new ATOM 0 HG22 THR A 34 16.817 6.385 0.496 1.00 0.00 H new ATOM 0 HG23 THR A 34 18.226 7.470 0.412 1.00 0.00 H new ATOM 557 N GLY A 35 18.930 7.589 3.299 1.00 0.00 N ATOM 558 CA GLY A 35 19.584 8.758 3.886 1.00 0.00 C ATOM 559 C GLY A 35 19.843 9.872 2.885 1.00 0.00 C ATOM 560 O GLY A 35 20.579 10.815 3.196 1.00 0.00 O ATOM 0 H GLY A 35 17.913 7.599 3.373 1.00 0.00 H new ATOM 0 HA2 GLY A 35 18.964 9.144 4.695 1.00 0.00 H new ATOM 0 HA3 GLY A 35 20.531 8.451 4.329 1.00 0.00 H new ATOM 564 N ILE A 36 19.253 9.764 1.673 1.00 0.00 N ATOM 565 CA ILE A 36 19.355 10.819 0.651 1.00 0.00 C ATOM 566 C ILE A 36 18.248 11.851 0.906 1.00 0.00 C ATOM 567 O ILE A 36 17.058 11.526 0.769 1.00 0.00 O ATOM 568 CB ILE A 36 19.224 10.267 -0.824 1.00 0.00 C ATOM 569 CG1 ILE A 36 20.139 9.015 -1.063 1.00 0.00 C ATOM 570 CG2 ILE A 36 19.527 11.379 -1.862 1.00 0.00 C ATOM 571 CD1 ILE A 36 21.620 9.212 -0.787 1.00 0.00 C ATOM 0 H ILE A 36 18.703 8.956 1.383 1.00 0.00 H new ATOM 0 HA ILE A 36 20.346 11.265 0.734 1.00 0.00 H new ATOM 0 HB ILE A 36 18.191 9.945 -0.958 1.00 0.00 H new ATOM 0 HG12 ILE A 36 19.778 8.200 -0.436 1.00 0.00 H new ATOM 0 HG13 ILE A 36 20.022 8.696 -2.099 1.00 0.00 H new ATOM 0 HG21 ILE A 36 19.430 10.973 -2.869 1.00 0.00 H new ATOM 0 HG22 ILE A 36 18.822 12.200 -1.732 1.00 0.00 H new ATOM 0 HG23 ILE A 36 20.543 11.747 -1.715 1.00 0.00 H new ATOM 0 HD11 ILE A 36 22.154 8.283 -0.986 1.00 0.00 H new ATOM 0 HD12 ILE A 36 22.009 9.999 -1.433 1.00 0.00 H new ATOM 0 HD13 ILE A 36 21.761 9.496 0.256 1.00 0.00 H new ATOM 583 N ALA A 37 18.649 13.071 1.317 1.00 0.00 N ATOM 584 CA ALA A 37 17.725 14.197 1.562 1.00 0.00 C ATOM 585 C ALA A 37 16.884 14.507 0.296 1.00 0.00 C ATOM 586 O ALA A 37 17.417 14.387 -0.804 1.00 0.00 O ATOM 587 CB ALA A 37 18.538 15.434 2.007 1.00 0.00 C ATOM 0 H ALA A 37 19.627 13.304 1.489 1.00 0.00 H new ATOM 0 HA ALA A 37 17.029 13.925 2.355 1.00 0.00 H new ATOM 0 HB1 ALA A 37 17.861 16.268 2.189 1.00 0.00 H new ATOM 0 HB2 ALA A 37 19.082 15.202 2.922 1.00 0.00 H new ATOM 0 HB3 ALA A 37 19.245 15.706 1.224 1.00 0.00 H new ATOM 593 N PRO A 38 15.570 14.918 0.431 1.00 0.00 N ATOM 594 CA PRO A 38 14.658 15.141 -0.733 1.00 0.00 C ATOM 595 C PRO A 38 15.179 16.202 -1.733 1.00 0.00 C ATOM 596 O PRO A 38 14.839 16.163 -2.920 1.00 0.00 O ATOM 597 CB PRO A 38 13.323 15.575 -0.073 1.00 0.00 C ATOM 598 CG PRO A 38 13.720 16.088 1.272 1.00 0.00 C ATOM 599 CD PRO A 38 14.871 15.216 1.713 1.00 0.00 C ATOM 0 HA PRO A 38 14.564 14.245 -1.346 1.00 0.00 H new ATOM 0 HB2 PRO A 38 12.822 16.345 -0.660 1.00 0.00 H new ATOM 0 HB3 PRO A 38 12.631 14.737 0.010 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.018 17.135 1.220 1.00 0.00 H new ATOM 0 HG3 PRO A 38 12.890 16.028 1.976 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.522 15.732 2.418 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.524 14.307 2.205 1.00 0.00 H new ATOM 607 N GLY A 39 16.031 17.127 -1.240 1.00 0.00 N ATOM 608 CA GLY A 39 16.684 18.137 -2.086 1.00 0.00 C ATOM 609 C GLY A 39 18.008 17.656 -2.690 1.00 0.00 C ATOM 610 O GLY A 39 18.837 18.471 -3.099 1.00 0.00 O ATOM 0 H GLY A 39 16.281 17.191 -0.253 1.00 0.00 H new ATOM 0 HA2 GLY A 39 16.006 18.420 -2.892 1.00 0.00 H new ATOM 0 HA3 GLY A 39 16.867 19.034 -1.494 1.00 0.00 H new ATOM 614 N SER A 40 18.205 16.322 -2.736 1.00 0.00 N ATOM 615 CA SER A 40 19.385 15.666 -3.338 1.00 0.00 C ATOM 616 C SER A 40 18.947 14.461 -4.203 1.00 0.00 C ATOM 617 O SER A 40 19.786 13.694 -4.679 1.00 0.00 O ATOM 618 CB SER A 40 20.347 15.203 -2.212 1.00 0.00 C ATOM 619 OG SER A 40 20.719 16.281 -1.366 1.00 0.00 O ATOM 0 H SER A 40 17.535 15.658 -2.348 1.00 0.00 H new ATOM 0 HA SER A 40 19.903 16.377 -3.982 1.00 0.00 H new ATOM 0 HB2 SER A 40 19.867 14.424 -1.620 1.00 0.00 H new ATOM 0 HB3 SER A 40 21.240 14.762 -2.654 1.00 0.00 H new ATOM 0 HG SER A 40 21.324 15.955 -0.667 1.00 0.00 H new ATOM 625 N GLN A 41 17.623 14.314 -4.411 1.00 0.00 N ATOM 626 CA GLN A 41 17.035 13.183 -5.160 1.00 0.00 C ATOM 627 C GLN A 41 15.811 13.641 -5.970 1.00 0.00 C ATOM 628 O GLN A 41 15.216 14.692 -5.695 1.00 0.00 O ATOM 629 CB GLN A 41 16.625 12.022 -4.197 1.00 0.00 C ATOM 630 CG GLN A 41 15.973 12.489 -2.870 1.00 0.00 C ATOM 631 CD GLN A 41 14.886 11.591 -2.306 1.00 0.00 C ATOM 632 OE1 GLN A 41 14.191 10.882 -3.037 1.00 0.00 O ATOM 633 NE2 GLN A 41 14.703 11.640 -0.993 1.00 0.00 N ATOM 0 H GLN A 41 16.930 14.977 -4.064 1.00 0.00 H new ATOM 0 HA GLN A 41 17.797 12.814 -5.847 1.00 0.00 H new ATOM 0 HB2 GLN A 41 15.929 11.364 -4.717 1.00 0.00 H new ATOM 0 HB3 GLN A 41 17.510 11.430 -3.964 1.00 0.00 H new ATOM 0 HG2 GLN A 41 16.757 12.591 -2.120 1.00 0.00 H new ATOM 0 HG3 GLN A 41 15.551 13.482 -3.026 1.00 0.00 H new ATOM 0 HE21 GLN A 41 15.296 12.238 -0.417 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.969 11.080 -0.559 1.00 0.00 H new ATOM 642 N ARG A 42 15.443 12.808 -6.953 1.00 0.00 N ATOM 643 CA ARG A 42 14.255 12.986 -7.806 1.00 0.00 C ATOM 644 C ARG A 42 13.454 11.677 -7.811 1.00 0.00 C ATOM 645 O ARG A 42 13.766 10.734 -7.063 1.00 0.00 O ATOM 646 CB ARG A 42 14.663 13.362 -9.267 1.00 0.00 C ATOM 647 CG ARG A 42 15.401 14.707 -9.415 1.00 0.00 C ATOM 648 CD ARG A 42 15.804 15.002 -10.871 1.00 0.00 C ATOM 649 NE ARG A 42 16.645 16.209 -10.970 1.00 0.00 N ATOM 650 CZ ARG A 42 17.936 16.239 -11.342 1.00 0.00 C ATOM 651 NH1 ARG A 42 18.592 15.128 -11.625 1.00 0.00 N ATOM 652 NH2 ARG A 42 18.575 17.395 -11.416 1.00 0.00 N ATOM 0 H ARG A 42 15.976 11.969 -7.185 1.00 0.00 H new ATOM 0 HA ARG A 42 13.649 13.800 -7.407 1.00 0.00 H new ATOM 0 HB2 ARG A 42 15.299 12.571 -9.665 1.00 0.00 H new ATOM 0 HB3 ARG A 42 13.764 13.389 -9.883 1.00 0.00 H new ATOM 0 HG2 ARG A 42 14.762 15.510 -9.049 1.00 0.00 H new ATOM 0 HG3 ARG A 42 16.293 14.699 -8.789 1.00 0.00 H new ATOM 0 HD2 ARG A 42 16.344 14.148 -11.279 1.00 0.00 H new ATOM 0 HD3 ARG A 42 14.908 15.132 -11.477 1.00 0.00 H new ATOM 0 HE ARG A 42 16.208 17.100 -10.735 1.00 0.00 H new ATOM 0 HH11 ARG A 42 18.119 14.227 -11.563 1.00 0.00 H new ATOM 0 HH12 ARG A 42 19.572 15.172 -11.906 1.00 0.00 H new ATOM 0 HH21 ARG A 42 18.088 18.262 -11.191 1.00 0.00 H new ATOM 0 HH22 ARG A 42 19.555 17.419 -11.698 1.00 0.00 H new ATOM 666 N ILE A 43 12.419 11.631 -8.663 1.00 0.00 N ATOM 667 CA ILE A 43 11.605 10.430 -8.881 1.00 0.00 C ATOM 668 C ILE A 43 11.856 9.926 -10.298 1.00 0.00 C ATOM 669 O ILE A 43 11.455 10.547 -11.295 1.00 0.00 O ATOM 670 CB ILE A 43 10.074 10.697 -8.630 1.00 0.00 C ATOM 671 CG1 ILE A 43 9.830 11.082 -7.138 1.00 0.00 C ATOM 672 CG2 ILE A 43 9.199 9.491 -9.044 1.00 0.00 C ATOM 673 CD1 ILE A 43 10.379 10.105 -6.126 1.00 0.00 C ATOM 0 H ILE A 43 12.123 12.431 -9.222 1.00 0.00 H new ATOM 0 HA ILE A 43 11.899 9.667 -8.160 1.00 0.00 H new ATOM 0 HB ILE A 43 9.776 11.534 -9.261 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.275 12.060 -6.954 1.00 0.00 H new ATOM 0 HG13 ILE A 43 8.757 11.184 -6.976 1.00 0.00 H new ATOM 0 HG21 ILE A 43 8.150 9.720 -8.853 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.339 9.288 -10.106 1.00 0.00 H new ATOM 0 HG23 ILE A 43 9.490 8.614 -8.465 1.00 0.00 H new ATOM 0 HD11 ILE A 43 10.159 10.461 -5.120 1.00 0.00 H new ATOM 0 HD12 ILE A 43 9.917 9.129 -6.275 1.00 0.00 H new ATOM 0 HD13 ILE A 43 11.458 10.018 -6.252 1.00 0.00 H new ATOM 685 N LEU A 44 12.594 8.825 -10.356 1.00 0.00 N ATOM 686 CA LEU A 44 12.912 8.109 -11.584 1.00 0.00 C ATOM 687 C LEU A 44 12.263 6.729 -11.470 1.00 0.00 C ATOM 688 O LEU A 44 12.353 6.103 -10.428 1.00 0.00 O ATOM 689 CB LEU A 44 14.450 8.031 -11.736 1.00 0.00 C ATOM 690 CG LEU A 44 15.187 9.404 -11.614 1.00 0.00 C ATOM 691 CD1 LEU A 44 16.716 9.237 -11.509 1.00 0.00 C ATOM 692 CD2 LEU A 44 14.800 10.359 -12.769 1.00 0.00 C ATOM 0 H LEU A 44 12.999 8.393 -9.526 1.00 0.00 H new ATOM 0 HA LEU A 44 12.531 8.610 -12.474 1.00 0.00 H new ATOM 0 HB2 LEU A 44 14.843 7.354 -10.977 1.00 0.00 H new ATOM 0 HB3 LEU A 44 14.684 7.593 -12.706 1.00 0.00 H new ATOM 0 HG LEU A 44 14.854 9.860 -10.682 1.00 0.00 H new ATOM 0 HD11 LEU A 44 17.184 10.218 -11.426 1.00 0.00 H new ATOM 0 HD12 LEU A 44 16.958 8.644 -10.627 1.00 0.00 H new ATOM 0 HD13 LEU A 44 17.089 8.731 -12.400 1.00 0.00 H new ATOM 0 HD21 LEU A 44 15.331 11.304 -12.653 1.00 0.00 H new ATOM 0 HD22 LEU A 44 15.071 9.905 -13.722 1.00 0.00 H new ATOM 0 HD23 LEU A 44 13.726 10.541 -12.746 1.00 0.00 H new ATOM 704 N VAL A 45 11.600 6.288 -12.530 1.00 0.00 N ATOM 705 CA VAL A 45 10.724 5.088 -12.508 1.00 0.00 C ATOM 706 C VAL A 45 11.324 3.945 -13.348 1.00 0.00 C ATOM 707 O VAL A 45 12.370 4.125 -13.982 1.00 0.00 O ATOM 708 CB VAL A 45 9.272 5.451 -13.006 1.00 0.00 C ATOM 709 CG1 VAL A 45 8.548 6.371 -11.988 1.00 0.00 C ATOM 710 CG2 VAL A 45 9.325 6.106 -14.408 1.00 0.00 C ATOM 0 H VAL A 45 11.644 6.743 -13.442 1.00 0.00 H new ATOM 0 HA VAL A 45 10.655 4.740 -11.477 1.00 0.00 H new ATOM 0 HB VAL A 45 8.698 4.527 -13.084 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.549 6.606 -12.356 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.470 5.861 -11.028 1.00 0.00 H new ATOM 0 HG13 VAL A 45 9.115 7.294 -11.864 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.314 6.349 -14.734 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.920 7.018 -14.361 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.778 5.413 -15.117 1.00 0.00 H new ATOM 720 N GLY A 46 10.652 2.767 -13.313 1.00 0.00 N ATOM 721 CA GLY A 46 11.107 1.560 -14.021 1.00 0.00 C ATOM 722 C GLY A 46 11.344 1.764 -15.522 1.00 0.00 C ATOM 723 O GLY A 46 12.363 1.314 -16.068 1.00 0.00 O ATOM 0 H GLY A 46 9.784 2.635 -12.794 1.00 0.00 H new ATOM 0 HA2 GLY A 46 12.032 1.211 -13.563 1.00 0.00 H new ATOM 0 HA3 GLY A 46 10.366 0.772 -13.885 1.00 0.00 H new ATOM 727 N TYR A 47 10.402 2.449 -16.183 1.00 0.00 N ATOM 728 CA TYR A 47 10.525 2.825 -17.613 1.00 0.00 C ATOM 729 C TYR A 47 11.283 4.185 -17.732 1.00 0.00 C ATOM 730 O TYR A 47 11.410 4.872 -16.716 1.00 0.00 O ATOM 731 CB TYR A 47 9.112 2.894 -18.273 1.00 0.00 C ATOM 732 CG TYR A 47 8.116 3.850 -17.585 1.00 0.00 C ATOM 733 CD1 TYR A 47 8.039 5.200 -17.943 1.00 0.00 C ATOM 734 CD2 TYR A 47 7.253 3.393 -16.585 1.00 0.00 C ATOM 735 CE1 TYR A 47 7.143 6.051 -17.330 1.00 0.00 C ATOM 736 CE2 TYR A 47 6.360 4.244 -15.971 1.00 0.00 C ATOM 737 CZ TYR A 47 6.307 5.568 -16.348 1.00 0.00 C ATOM 738 OH TYR A 47 5.416 6.414 -15.739 1.00 0.00 O ATOM 0 H TYR A 47 9.533 2.761 -15.751 1.00 0.00 H new ATOM 0 HA TYR A 47 11.100 2.067 -18.145 1.00 0.00 H new ATOM 0 HB2 TYR A 47 9.228 3.201 -19.312 1.00 0.00 H new ATOM 0 HB3 TYR A 47 8.683 1.892 -18.283 1.00 0.00 H new ATOM 0 HD1 TYR A 47 8.693 5.583 -18.713 1.00 0.00 H new ATOM 0 HD2 TYR A 47 7.287 2.355 -16.288 1.00 0.00 H new ATOM 0 HE1 TYR A 47 7.097 7.091 -17.619 1.00 0.00 H new ATOM 0 HE2 TYR A 47 5.704 3.874 -15.197 1.00 0.00 H new ATOM 0 HH TYR A 47 4.624 5.909 -15.459 1.00 0.00 H new ATOM 748 N PRO A 48 11.823 4.572 -18.956 1.00 0.00 N ATOM 749 CA PRO A 48 12.481 5.893 -19.188 1.00 0.00 C ATOM 750 C PRO A 48 11.681 7.102 -18.602 1.00 0.00 C ATOM 751 O PRO A 48 10.610 7.443 -19.122 1.00 0.00 O ATOM 752 CB PRO A 48 12.566 5.972 -20.735 1.00 0.00 C ATOM 753 CG PRO A 48 12.718 4.544 -21.166 1.00 0.00 C ATOM 754 CD PRO A 48 11.880 3.734 -20.193 1.00 0.00 C ATOM 0 HA PRO A 48 13.446 5.958 -18.686 1.00 0.00 H new ATOM 0 HB2 PRO A 48 11.670 6.424 -21.161 1.00 0.00 H new ATOM 0 HB3 PRO A 48 13.413 6.578 -21.057 1.00 0.00 H new ATOM 0 HG2 PRO A 48 12.373 4.405 -22.191 1.00 0.00 H new ATOM 0 HG3 PRO A 48 13.763 4.234 -21.136 1.00 0.00 H new ATOM 0 HD2 PRO A 48 10.883 3.545 -20.590 1.00 0.00 H new ATOM 0 HD3 PRO A 48 12.332 2.763 -19.993 1.00 0.00 H new ATOM 762 N PRO A 49 12.184 7.742 -17.490 1.00 0.00 N ATOM 763 CA PRO A 49 11.503 8.870 -16.820 1.00 0.00 C ATOM 764 C PRO A 49 11.812 10.226 -17.487 1.00 0.00 C ATOM 765 O PRO A 49 12.677 10.331 -18.365 1.00 0.00 O ATOM 766 CB PRO A 49 12.051 8.810 -15.354 1.00 0.00 C ATOM 767 CG PRO A 49 13.114 7.725 -15.351 1.00 0.00 C ATOM 768 CD PRO A 49 13.451 7.426 -16.794 1.00 0.00 C ATOM 0 HA PRO A 49 10.418 8.787 -16.874 1.00 0.00 H new ATOM 0 HB2 PRO A 49 12.472 9.770 -15.055 1.00 0.00 H new ATOM 0 HB3 PRO A 49 11.254 8.578 -14.648 1.00 0.00 H new ATOM 0 HG2 PRO A 49 14.000 8.056 -14.810 1.00 0.00 H new ATOM 0 HG3 PRO A 49 12.749 6.830 -14.848 1.00 0.00 H new ATOM 0 HD2 PRO A 49 14.276 8.041 -17.154 1.00 0.00 H new ATOM 0 HD3 PRO A 49 13.743 6.385 -16.935 1.00 0.00 H new ATOM 776 N GLU A 50 11.106 11.267 -17.030 1.00 0.00 N ATOM 777 CA GLU A 50 11.250 12.643 -17.548 1.00 0.00 C ATOM 778 C GLU A 50 12.104 13.507 -16.591 1.00 0.00 C ATOM 779 O GLU A 50 12.186 14.727 -16.772 1.00 0.00 O ATOM 780 CB GLU A 50 9.837 13.271 -17.733 1.00 0.00 C ATOM 781 CG GLU A 50 8.863 12.452 -18.613 1.00 0.00 C ATOM 782 CD GLU A 50 9.322 12.298 -20.075 1.00 0.00 C ATOM 783 OE1 GLU A 50 10.054 11.334 -20.389 1.00 0.00 O ATOM 784 OE2 GLU A 50 8.949 13.143 -20.918 1.00 0.00 O ATOM 0 H GLU A 50 10.413 11.183 -16.286 1.00 0.00 H new ATOM 0 HA GLU A 50 11.762 12.608 -18.510 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.386 13.408 -16.750 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.952 14.262 -18.172 1.00 0.00 H new ATOM 0 HG2 GLU A 50 8.739 11.462 -18.175 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.884 12.932 -18.598 1.00 0.00 H new ATOM 791 N CYS A 51 12.777 12.849 -15.610 1.00 0.00 N ATOM 792 CA CYS A 51 13.405 13.508 -14.445 1.00 0.00 C ATOM 793 C CYS A 51 12.352 14.337 -13.690 1.00 0.00 C ATOM 794 O CYS A 51 12.153 15.529 -13.966 1.00 0.00 O ATOM 795 CB CYS A 51 14.644 14.360 -14.834 1.00 0.00 C ATOM 796 SG CYS A 51 15.977 13.413 -15.598 1.00 0.00 S ATOM 0 H CYS A 51 12.897 11.836 -15.611 1.00 0.00 H new ATOM 0 HA CYS A 51 13.783 12.730 -13.781 1.00 0.00 H new ATOM 0 HB2 CYS A 51 14.330 15.146 -15.521 1.00 0.00 H new ATOM 0 HB3 CYS A 51 15.028 14.853 -13.941 1.00 0.00 H new ATOM 0 HG CYS A 51 16.963 14.209 -15.888 1.00 0.00 H new ATOM 802 N LEU A 52 11.611 13.657 -12.802 1.00 0.00 N ATOM 803 CA LEU A 52 10.528 14.272 -12.037 1.00 0.00 C ATOM 804 C LEU A 52 11.121 15.056 -10.854 1.00 0.00 C ATOM 805 O LEU A 52 11.487 14.479 -9.823 1.00 0.00 O ATOM 806 CB LEU A 52 9.521 13.186 -11.579 1.00 0.00 C ATOM 807 CG LEU A 52 8.901 12.324 -12.731 1.00 0.00 C ATOM 808 CD1 LEU A 52 8.035 11.176 -12.169 1.00 0.00 C ATOM 809 CD2 LEU A 52 8.101 13.205 -13.729 1.00 0.00 C ATOM 0 H LEU A 52 11.749 12.667 -12.598 1.00 0.00 H new ATOM 0 HA LEU A 52 9.978 14.977 -12.661 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.024 12.519 -10.878 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.711 13.671 -11.033 1.00 0.00 H new ATOM 0 HG LEU A 52 9.724 11.872 -13.284 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.619 10.597 -12.993 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.650 10.528 -11.544 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.223 11.591 -11.572 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.684 12.576 -14.516 1.00 0.00 H new ATOM 0 HD22 LEU A 52 7.292 13.710 -13.201 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.765 13.948 -14.172 1.00 0.00 H new ATOM 821 N ASP A 53 11.307 16.364 -11.078 1.00 0.00 N ATOM 822 CA ASP A 53 11.734 17.322 -10.055 1.00 0.00 C ATOM 823 C ASP A 53 10.499 17.772 -9.256 1.00 0.00 C ATOM 824 O ASP A 53 9.751 18.656 -9.701 1.00 0.00 O ATOM 825 CB ASP A 53 12.424 18.556 -10.704 1.00 0.00 C ATOM 826 CG ASP A 53 13.712 18.231 -11.480 1.00 0.00 C ATOM 827 OD1 ASP A 53 13.617 17.667 -12.591 1.00 0.00 O ATOM 828 OD2 ASP A 53 14.819 18.552 -10.991 1.00 0.00 O ATOM 0 H ASP A 53 11.162 16.791 -11.993 1.00 0.00 H new ATOM 0 HA ASP A 53 12.456 16.843 -9.394 1.00 0.00 H new ATOM 0 HB2 ASP A 53 11.718 19.037 -11.381 1.00 0.00 H new ATOM 0 HB3 ASP A 53 12.658 19.279 -9.922 1.00 0.00 H new ATOM 833 N LEU A 54 10.273 17.120 -8.107 1.00 0.00 N ATOM 834 CA LEU A 54 9.152 17.435 -7.202 1.00 0.00 C ATOM 835 C LEU A 54 9.412 18.802 -6.544 1.00 0.00 C ATOM 836 O LEU A 54 10.264 18.923 -5.657 1.00 0.00 O ATOM 837 CB LEU A 54 8.956 16.308 -6.138 1.00 0.00 C ATOM 838 CG LEU A 54 8.288 14.980 -6.620 1.00 0.00 C ATOM 839 CD1 LEU A 54 9.057 14.335 -7.779 1.00 0.00 C ATOM 840 CD2 LEU A 54 8.094 13.995 -5.438 1.00 0.00 C ATOM 0 H LEU A 54 10.863 16.357 -7.776 1.00 0.00 H new ATOM 0 HA LEU A 54 8.225 17.489 -7.773 1.00 0.00 H new ATOM 0 HB2 LEU A 54 9.933 16.063 -5.721 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.355 16.713 -5.324 1.00 0.00 H new ATOM 0 HG LEU A 54 7.301 15.233 -7.006 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.556 13.415 -8.081 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.089 15.024 -8.623 1.00 0.00 H new ATOM 0 HD13 LEU A 54 10.073 14.106 -7.459 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.627 13.079 -5.801 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.063 13.759 -4.998 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.455 14.454 -4.683 1.00 0.00 H new ATOM 852 N SER A 55 8.715 19.830 -7.046 1.00 0.00 N ATOM 853 CA SER A 55 8.866 21.221 -6.597 1.00 0.00 C ATOM 854 C SER A 55 7.915 21.551 -5.429 1.00 0.00 C ATOM 855 O SER A 55 8.279 22.301 -4.516 1.00 0.00 O ATOM 856 CB SER A 55 8.615 22.162 -7.793 1.00 0.00 C ATOM 857 OG SER A 55 7.374 21.878 -8.427 1.00 0.00 O ATOM 0 H SER A 55 8.021 19.718 -7.785 1.00 0.00 H new ATOM 0 HA SER A 55 9.881 21.362 -6.225 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.622 23.197 -7.451 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.425 22.059 -8.515 1.00 0.00 H new ATOM 0 HG SER A 55 7.243 22.492 -9.180 1.00 0.00 H new ATOM 863 N ASP A 56 6.690 20.986 -5.471 1.00 0.00 N ATOM 864 CA ASP A 56 5.633 21.237 -4.465 1.00 0.00 C ATOM 865 C ASP A 56 5.642 20.132 -3.394 1.00 0.00 C ATOM 866 O ASP A 56 5.657 18.965 -3.735 1.00 0.00 O ATOM 867 CB ASP A 56 4.252 21.301 -5.174 1.00 0.00 C ATOM 868 CG ASP A 56 3.082 21.554 -4.209 1.00 0.00 C ATOM 869 OD1 ASP A 56 3.064 22.622 -3.560 1.00 0.00 O ATOM 870 OD2 ASP A 56 2.194 20.688 -4.084 1.00 0.00 O ATOM 0 H ASP A 56 6.404 20.340 -6.206 1.00 0.00 H new ATOM 0 HA ASP A 56 5.823 22.189 -3.970 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.273 22.092 -5.923 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.080 20.364 -5.704 1.00 0.00 H new ATOM 875 N ARG A 57 5.636 20.509 -2.107 1.00 0.00 N ATOM 876 CA ARG A 57 5.678 19.539 -0.972 1.00 0.00 C ATOM 877 C ARG A 57 4.396 18.666 -0.895 1.00 0.00 C ATOM 878 O ARG A 57 4.435 17.529 -0.405 1.00 0.00 O ATOM 879 CB ARG A 57 5.911 20.269 0.390 1.00 0.00 C ATOM 880 CG ARG A 57 4.685 21.010 0.996 1.00 0.00 C ATOM 881 CD ARG A 57 4.187 22.196 0.148 1.00 0.00 C ATOM 882 NE ARG A 57 2.900 22.707 0.639 1.00 0.00 N ATOM 883 CZ ARG A 57 2.150 23.641 0.037 1.00 0.00 C ATOM 884 NH1 ARG A 57 2.539 24.214 -1.093 1.00 0.00 N ATOM 885 NH2 ARG A 57 1.000 23.991 0.580 1.00 0.00 N ATOM 0 H ARG A 57 5.602 21.485 -1.811 1.00 0.00 H new ATOM 0 HA ARG A 57 6.521 18.876 -1.165 1.00 0.00 H new ATOM 0 HB2 ARG A 57 6.259 19.534 1.116 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.716 20.992 0.257 1.00 0.00 H new ATOM 0 HG2 ARG A 57 3.869 20.298 1.121 1.00 0.00 H new ATOM 0 HG3 ARG A 57 4.947 21.372 1.990 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.928 22.995 0.168 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.083 21.883 -0.891 1.00 0.00 H new ATOM 0 HE ARG A 57 2.547 22.318 1.513 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.425 23.946 -1.522 1.00 0.00 H new ATOM 0 HH12 ARG A 57 1.952 24.922 -1.534 1.00 0.00 H new ATOM 0 HH21 ARG A 57 0.691 23.552 1.448 1.00 0.00 H new ATOM 0 HH22 ARG A 57 0.420 24.700 0.132 1.00 0.00 H new ATOM 899 N ASP A 58 3.279 19.221 -1.393 1.00 0.00 N ATOM 900 CA ASP A 58 1.931 18.620 -1.265 1.00 0.00 C ATOM 901 C ASP A 58 1.588 17.732 -2.489 1.00 0.00 C ATOM 902 O ASP A 58 0.538 17.081 -2.515 1.00 0.00 O ATOM 903 CB ASP A 58 0.890 19.773 -1.059 1.00 0.00 C ATOM 904 CG ASP A 58 -0.545 19.300 -0.726 1.00 0.00 C ATOM 905 OD1 ASP A 58 -0.779 18.835 0.411 1.00 0.00 O ATOM 906 OD2 ASP A 58 -1.447 19.406 -1.589 1.00 0.00 O ATOM 0 H ASP A 58 3.281 20.106 -1.900 1.00 0.00 H new ATOM 0 HA ASP A 58 1.903 17.958 -0.399 1.00 0.00 H new ATOM 0 HB2 ASP A 58 1.240 20.420 -0.255 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.857 20.379 -1.964 1.00 0.00 H new ATOM 911 N ILE A 59 2.506 17.683 -3.486 1.00 0.00 N ATOM 912 CA ILE A 59 2.303 16.923 -4.736 1.00 0.00 C ATOM 913 C ILE A 59 2.277 15.399 -4.454 1.00 0.00 C ATOM 914 O ILE A 59 3.174 14.863 -3.802 1.00 0.00 O ATOM 915 CB ILE A 59 3.400 17.307 -5.822 1.00 0.00 C ATOM 916 CG1 ILE A 59 2.942 16.888 -7.246 1.00 0.00 C ATOM 917 CG2 ILE A 59 4.801 16.705 -5.515 1.00 0.00 C ATOM 918 CD1 ILE A 59 3.858 17.341 -8.377 1.00 0.00 C ATOM 0 H ILE A 59 3.402 18.168 -3.443 1.00 0.00 H new ATOM 0 HA ILE A 59 1.332 17.195 -5.150 1.00 0.00 H new ATOM 0 HB ILE A 59 3.501 18.391 -5.778 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.858 15.802 -7.279 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.945 17.290 -7.423 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.504 17.004 -6.293 1.00 0.00 H new ATOM 0 HG22 ILE A 59 5.151 17.071 -4.550 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.732 15.618 -5.487 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.454 17.001 -9.331 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.924 18.429 -8.378 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.852 16.918 -8.232 1.00 0.00 H new ATOM 930 N THR A 60 1.217 14.713 -4.924 1.00 0.00 N ATOM 931 CA THR A 60 0.929 13.314 -4.538 1.00 0.00 C ATOM 932 C THR A 60 1.409 12.312 -5.607 1.00 0.00 C ATOM 933 O THR A 60 1.884 12.703 -6.677 1.00 0.00 O ATOM 934 CB THR A 60 -0.605 13.119 -4.286 1.00 0.00 C ATOM 935 OG1 THR A 60 -1.354 13.354 -5.496 1.00 0.00 O ATOM 936 CG2 THR A 60 -1.129 14.045 -3.169 1.00 0.00 C ATOM 0 H THR A 60 0.540 15.107 -5.577 1.00 0.00 H new ATOM 0 HA THR A 60 1.478 13.115 -3.617 1.00 0.00 H new ATOM 0 HB THR A 60 -0.745 12.087 -3.965 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.797 13.846 -6.135 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.197 13.877 -3.028 1.00 0.00 H new ATOM 0 HG22 THR A 60 -0.601 13.829 -2.240 1.00 0.00 H new ATOM 0 HG23 THR A 60 -0.960 15.085 -3.449 1.00 0.00 H new ATOM 944 N LEU A 61 1.241 11.005 -5.304 1.00 0.00 N ATOM 945 CA LEU A 61 1.515 9.899 -6.254 1.00 0.00 C ATOM 946 C LEU A 61 0.473 9.863 -7.398 1.00 0.00 C ATOM 947 O LEU A 61 0.617 9.101 -8.351 1.00 0.00 O ATOM 948 CB LEU A 61 1.532 8.536 -5.514 1.00 0.00 C ATOM 949 CG LEU A 61 2.457 8.438 -4.260 1.00 0.00 C ATOM 950 CD1 LEU A 61 2.455 7.012 -3.677 1.00 0.00 C ATOM 951 CD2 LEU A 61 3.893 8.939 -4.546 1.00 0.00 C ATOM 0 H LEU A 61 0.911 10.685 -4.393 1.00 0.00 H new ATOM 0 HA LEU A 61 2.496 10.080 -6.692 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.513 8.302 -5.206 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.835 7.766 -6.223 1.00 0.00 H new ATOM 0 HG LEU A 61 2.043 9.106 -3.505 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.108 6.975 -2.805 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.441 6.740 -3.383 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.815 6.311 -4.430 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.496 8.850 -3.642 1.00 0.00 H new ATOM 0 HD22 LEU A 61 4.337 8.338 -5.339 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.859 9.983 -4.858 1.00 0.00 H new ATOM 963 N GLY A 62 -0.605 10.664 -7.261 1.00 0.00 N ATOM 964 CA GLY A 62 -1.548 10.901 -8.360 1.00 0.00 C ATOM 965 C GLY A 62 -0.921 11.721 -9.490 1.00 0.00 C ATOM 966 O GLY A 62 -1.344 11.627 -10.649 1.00 0.00 O ATOM 0 H GLY A 62 -0.839 11.155 -6.398 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -1.892 9.945 -8.754 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.426 11.423 -7.978 1.00 0.00 H new ATOM 970 N ASP A 63 0.095 12.529 -9.143 1.00 0.00 N ATOM 971 CA ASP A 63 0.834 13.372 -10.099 1.00 0.00 C ATOM 972 C ASP A 63 2.074 12.624 -10.612 1.00 0.00 C ATOM 973 O ASP A 63 2.299 12.533 -11.824 1.00 0.00 O ATOM 974 CB ASP A 63 1.252 14.694 -9.421 1.00 0.00 C ATOM 975 CG ASP A 63 0.061 15.466 -8.825 1.00 0.00 C ATOM 976 OD1 ASP A 63 -0.283 15.219 -7.644 1.00 0.00 O ATOM 977 OD2 ASP A 63 -0.539 16.300 -9.535 1.00 0.00 O ATOM 0 H ASP A 63 0.429 12.616 -8.183 1.00 0.00 H new ATOM 0 HA ASP A 63 0.187 13.599 -10.946 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.971 14.479 -8.630 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.759 15.326 -10.150 1.00 0.00 H new ATOM 982 N LEU A 64 2.875 12.089 -9.672 1.00 0.00 N ATOM 983 CA LEU A 64 4.093 11.320 -9.998 1.00 0.00 C ATOM 984 C LEU A 64 3.728 9.827 -10.114 1.00 0.00 C ATOM 985 O LEU A 64 3.208 9.276 -9.148 1.00 0.00 O ATOM 986 CB LEU A 64 5.214 11.508 -8.929 1.00 0.00 C ATOM 987 CG LEU A 64 5.697 12.966 -8.646 1.00 0.00 C ATOM 988 CD1 LEU A 64 5.920 13.776 -9.945 1.00 0.00 C ATOM 989 CD2 LEU A 64 4.759 13.692 -7.670 1.00 0.00 C ATOM 0 H LEU A 64 2.699 12.176 -8.671 1.00 0.00 H new ATOM 0 HA LEU A 64 4.484 11.693 -10.945 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.860 11.082 -7.990 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.078 10.921 -9.240 1.00 0.00 H new ATOM 0 HG LEU A 64 6.671 12.887 -8.162 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.255 14.782 -9.693 1.00 0.00 H new ATOM 0 HD12 LEU A 64 6.677 13.284 -10.555 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.985 13.834 -10.503 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.126 14.703 -7.497 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.756 13.738 -8.095 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.728 13.150 -6.725 1.00 0.00 H new ATOM 1001 N PRO A 65 3.980 9.160 -11.287 1.00 0.00 N ATOM 1002 CA PRO A 65 3.610 7.739 -11.513 1.00 0.00 C ATOM 1003 C PRO A 65 4.471 6.736 -10.699 1.00 0.00 C ATOM 1004 O PRO A 65 5.385 6.086 -11.229 1.00 0.00 O ATOM 1005 CB PRO A 65 3.784 7.577 -13.048 1.00 0.00 C ATOM 1006 CG PRO A 65 4.852 8.564 -13.399 1.00 0.00 C ATOM 1007 CD PRO A 65 4.611 9.753 -12.497 1.00 0.00 C ATOM 0 HA PRO A 65 2.601 7.512 -11.169 1.00 0.00 H new ATOM 0 HB2 PRO A 65 4.078 6.561 -13.311 1.00 0.00 H new ATOM 0 HB3 PRO A 65 2.856 7.788 -13.579 1.00 0.00 H new ATOM 0 HG2 PRO A 65 5.844 8.143 -13.238 1.00 0.00 H new ATOM 0 HG3 PRO A 65 4.794 8.849 -14.449 1.00 0.00 H new ATOM 0 HD2 PRO A 65 5.542 10.265 -12.252 1.00 0.00 H new ATOM 0 HD3 PRO A 65 3.958 10.487 -12.969 1.00 0.00 H new ATOM 1015 N ILE A 66 4.176 6.651 -9.392 1.00 0.00 N ATOM 1016 CA ILE A 66 4.696 5.600 -8.507 1.00 0.00 C ATOM 1017 C ILE A 66 3.721 4.426 -8.585 1.00 0.00 C ATOM 1018 O ILE A 66 2.501 4.615 -8.498 1.00 0.00 O ATOM 1019 CB ILE A 66 4.858 6.090 -7.001 1.00 0.00 C ATOM 1020 CG1 ILE A 66 6.149 6.968 -6.804 1.00 0.00 C ATOM 1021 CG2 ILE A 66 4.846 4.909 -5.981 1.00 0.00 C ATOM 1022 CD1 ILE A 66 6.144 8.310 -7.510 1.00 0.00 C ATOM 0 H ILE A 66 3.565 7.316 -8.917 1.00 0.00 H new ATOM 0 HA ILE A 66 5.695 5.314 -8.835 1.00 0.00 H new ATOM 0 HB ILE A 66 3.986 6.711 -6.796 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.290 7.140 -5.737 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.011 6.398 -7.152 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.960 5.300 -4.970 1.00 0.00 H new ATOM 0 HG22 ILE A 66 3.901 4.371 -6.058 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.669 4.229 -6.202 1.00 0.00 H new ATOM 0 HD11 ILE A 66 7.079 8.831 -7.307 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.040 8.156 -8.584 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.309 8.909 -7.147 1.00 0.00 H new ATOM 1034 N GLN A 67 4.262 3.224 -8.782 1.00 0.00 N ATOM 1035 CA GLN A 67 3.473 1.991 -8.845 1.00 0.00 C ATOM 1036 C GLN A 67 3.918 1.072 -7.701 1.00 0.00 C ATOM 1037 O GLN A 67 5.044 1.206 -7.189 1.00 0.00 O ATOM 1038 CB GLN A 67 3.653 1.319 -10.239 1.00 0.00 C ATOM 1039 CG GLN A 67 3.501 2.297 -11.427 1.00 0.00 C ATOM 1040 CD GLN A 67 3.426 1.608 -12.795 1.00 0.00 C ATOM 1041 OE1 GLN A 67 4.442 1.369 -13.453 1.00 0.00 O ATOM 1042 NE2 GLN A 67 2.215 1.308 -13.242 1.00 0.00 N ATOM 0 H GLN A 67 5.264 3.076 -8.903 1.00 0.00 H new ATOM 0 HA GLN A 67 2.411 2.204 -8.726 1.00 0.00 H new ATOM 0 HB2 GLN A 67 4.639 0.857 -10.285 1.00 0.00 H new ATOM 0 HB3 GLN A 67 2.921 0.518 -10.343 1.00 0.00 H new ATOM 0 HG2 GLN A 67 2.600 2.892 -11.281 1.00 0.00 H new ATOM 0 HG3 GLN A 67 4.344 2.989 -11.425 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.395 1.519 -12.673 1.00 0.00 H new ATOM 0 HE22 GLN A 67 2.103 0.866 -14.155 1.00 0.00 H new ATOM 1051 N SER A 68 3.033 0.162 -7.278 1.00 0.00 N ATOM 1052 CA SER A 68 3.320 -0.768 -6.181 1.00 0.00 C ATOM 1053 C SER A 68 4.357 -1.815 -6.645 1.00 0.00 C ATOM 1054 O SER A 68 4.073 -2.631 -7.524 1.00 0.00 O ATOM 1055 CB SER A 68 2.018 -1.440 -5.695 1.00 0.00 C ATOM 1056 OG SER A 68 2.232 -2.160 -4.491 1.00 0.00 O ATOM 0 H SER A 68 2.104 0.050 -7.684 1.00 0.00 H new ATOM 0 HA SER A 68 3.742 -0.219 -5.339 1.00 0.00 H new ATOM 0 HB2 SER A 68 1.251 -0.682 -5.537 1.00 0.00 H new ATOM 0 HB3 SER A 68 1.645 -2.116 -6.465 1.00 0.00 H new ATOM 0 HG SER A 68 1.392 -2.574 -4.204 1.00 0.00 H new ATOM 1062 N GLY A 69 5.568 -1.737 -6.072 1.00 0.00 N ATOM 1063 CA GLY A 69 6.688 -2.617 -6.419 1.00 0.00 C ATOM 1064 C GLY A 69 7.540 -2.071 -7.562 1.00 0.00 C ATOM 1065 O GLY A 69 8.329 -2.817 -8.154 1.00 0.00 O ATOM 0 H GLY A 69 5.796 -1.055 -5.349 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.317 -2.760 -5.540 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.301 -3.597 -6.697 1.00 0.00 H new ATOM 1069 N ASP A 70 7.406 -0.759 -7.854 1.00 0.00 N ATOM 1070 CA ASP A 70 8.122 -0.108 -8.973 1.00 0.00 C ATOM 1071 C ASP A 70 9.553 0.243 -8.554 1.00 0.00 C ATOM 1072 O ASP A 70 9.861 0.368 -7.358 1.00 0.00 O ATOM 1073 CB ASP A 70 7.370 1.174 -9.440 1.00 0.00 C ATOM 1074 CG ASP A 70 7.967 1.829 -10.709 1.00 0.00 C ATOM 1075 OD1 ASP A 70 7.763 1.284 -11.814 1.00 0.00 O ATOM 1076 OD2 ASP A 70 8.667 2.857 -10.607 1.00 0.00 O ATOM 0 H ASP A 70 6.804 -0.126 -7.326 1.00 0.00 H new ATOM 0 HA ASP A 70 8.159 -0.808 -9.808 1.00 0.00 H new ATOM 0 HB2 ASP A 70 6.327 0.921 -9.631 1.00 0.00 H new ATOM 0 HB3 ASP A 70 7.378 1.903 -8.630 1.00 0.00 H new ATOM 1081 N MET A 71 10.407 0.410 -9.561 1.00 0.00 N ATOM 1082 CA MET A 71 11.816 0.750 -9.394 1.00 0.00 C ATOM 1083 C MET A 71 11.953 2.273 -9.347 1.00 0.00 C ATOM 1084 O MET A 71 11.996 2.932 -10.387 1.00 0.00 O ATOM 1085 CB MET A 71 12.673 0.162 -10.557 1.00 0.00 C ATOM 1086 CG MET A 71 14.202 0.423 -10.456 1.00 0.00 C ATOM 1087 SD MET A 71 15.163 -1.011 -9.905 1.00 0.00 S ATOM 1088 CE MET A 71 14.571 -1.257 -8.233 1.00 0.00 C ATOM 0 H MET A 71 10.131 0.310 -10.538 1.00 0.00 H new ATOM 0 HA MET A 71 12.183 0.317 -8.463 1.00 0.00 H new ATOM 0 HB2 MET A 71 12.507 -0.914 -10.600 1.00 0.00 H new ATOM 0 HB3 MET A 71 12.312 0.577 -11.498 1.00 0.00 H new ATOM 0 HG2 MET A 71 14.571 0.741 -11.431 1.00 0.00 H new ATOM 0 HG3 MET A 71 14.374 1.249 -9.766 1.00 0.00 H new ATOM 0 HE1 MET A 71 15.202 -1.987 -7.727 1.00 0.00 H new ATOM 0 HE2 MET A 71 14.605 -0.311 -7.692 1.00 0.00 H new ATOM 0 HE3 MET A 71 13.544 -1.622 -8.261 1.00 0.00 H new ATOM 1098 N LEU A 72 11.947 2.825 -8.135 1.00 0.00 N ATOM 1099 CA LEU A 72 12.152 4.263 -7.921 1.00 0.00 C ATOM 1100 C LEU A 72 13.645 4.526 -7.682 1.00 0.00 C ATOM 1101 O LEU A 72 14.156 4.303 -6.583 1.00 0.00 O ATOM 1102 CB LEU A 72 11.267 4.814 -6.760 1.00 0.00 C ATOM 1103 CG LEU A 72 9.747 5.053 -7.084 1.00 0.00 C ATOM 1104 CD1 LEU A 72 9.573 5.956 -8.320 1.00 0.00 C ATOM 1105 CD2 LEU A 72 8.960 3.738 -7.248 1.00 0.00 C ATOM 0 H LEU A 72 11.801 2.295 -7.276 1.00 0.00 H new ATOM 0 HA LEU A 72 11.837 4.802 -8.814 1.00 0.00 H new ATOM 0 HB2 LEU A 72 11.331 4.118 -5.923 1.00 0.00 H new ATOM 0 HB3 LEU A 72 11.696 5.758 -6.424 1.00 0.00 H new ATOM 0 HG LEU A 72 9.325 5.568 -6.221 1.00 0.00 H new ATOM 0 HD11 LEU A 72 8.511 6.102 -8.517 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.044 6.922 -8.134 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.041 5.484 -9.184 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.917 3.963 -7.470 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.388 3.157 -8.065 1.00 0.00 H new ATOM 0 HD23 LEU A 72 9.018 3.162 -6.324 1.00 0.00 H new ATOM 1117 N ILE A 73 14.345 4.972 -8.739 1.00 0.00 N ATOM 1118 CA ILE A 73 15.785 5.218 -8.706 1.00 0.00 C ATOM 1119 C ILE A 73 16.041 6.528 -7.946 1.00 0.00 C ATOM 1120 O ILE A 73 15.823 7.631 -8.474 1.00 0.00 O ATOM 1121 CB ILE A 73 16.460 5.285 -10.140 1.00 0.00 C ATOM 1122 CG1 ILE A 73 16.203 3.981 -10.982 1.00 0.00 C ATOM 1123 CG2 ILE A 73 17.986 5.559 -10.012 1.00 0.00 C ATOM 1124 CD1 ILE A 73 14.833 3.887 -11.641 1.00 0.00 C ATOM 0 H ILE A 73 13.918 5.171 -9.644 1.00 0.00 H new ATOM 0 HA ILE A 73 16.245 4.368 -8.201 1.00 0.00 H new ATOM 0 HB ILE A 73 15.994 6.111 -10.676 1.00 0.00 H new ATOM 0 HG12 ILE A 73 16.966 3.914 -11.758 1.00 0.00 H new ATOM 0 HG13 ILE A 73 16.334 3.117 -10.331 1.00 0.00 H new ATOM 0 HG21 ILE A 73 18.433 5.602 -11.005 1.00 0.00 H new ATOM 0 HG22 ILE A 73 18.143 6.509 -9.502 1.00 0.00 H new ATOM 0 HG23 ILE A 73 18.453 4.758 -9.439 1.00 0.00 H new ATOM 0 HD11 ILE A 73 14.760 2.952 -12.196 1.00 0.00 H new ATOM 0 HD12 ILE A 73 14.058 3.916 -10.875 1.00 0.00 H new ATOM 0 HD13 ILE A 73 14.700 4.726 -12.324 1.00 0.00 H new ATOM 1136 N VAL A 74 16.426 6.377 -6.679 1.00 0.00 N ATOM 1137 CA VAL A 74 16.847 7.482 -5.834 1.00 0.00 C ATOM 1138 C VAL A 74 18.292 7.854 -6.182 1.00 0.00 C ATOM 1139 O VAL A 74 19.245 7.148 -5.822 1.00 0.00 O ATOM 1140 CB VAL A 74 16.716 7.125 -4.316 1.00 0.00 C ATOM 1141 CG1 VAL A 74 17.236 8.272 -3.416 1.00 0.00 C ATOM 1142 CG2 VAL A 74 15.251 6.758 -3.979 1.00 0.00 C ATOM 0 H VAL A 74 16.453 5.472 -6.210 1.00 0.00 H new ATOM 0 HA VAL A 74 16.195 8.336 -6.019 1.00 0.00 H new ATOM 0 HB VAL A 74 17.342 6.256 -4.113 1.00 0.00 H new ATOM 0 HG11 VAL A 74 17.130 7.989 -2.369 1.00 0.00 H new ATOM 0 HG12 VAL A 74 18.287 8.459 -3.636 1.00 0.00 H new ATOM 0 HG13 VAL A 74 16.658 9.176 -3.608 1.00 0.00 H new ATOM 0 HG21 VAL A 74 15.172 6.511 -2.920 1.00 0.00 H new ATOM 0 HG22 VAL A 74 14.603 7.605 -4.204 1.00 0.00 H new ATOM 0 HG23 VAL A 74 14.945 5.899 -4.575 1.00 0.00 H new ATOM 1152 N GLU A 75 18.425 8.937 -6.935 1.00 0.00 N ATOM 1153 CA GLU A 75 19.719 9.523 -7.269 1.00 0.00 C ATOM 1154 C GLU A 75 20.273 10.310 -6.067 1.00 0.00 C ATOM 1155 O GLU A 75 19.519 10.714 -5.172 1.00 0.00 O ATOM 1156 CB GLU A 75 19.563 10.454 -8.496 1.00 0.00 C ATOM 1157 CG GLU A 75 18.499 11.560 -8.317 1.00 0.00 C ATOM 1158 CD GLU A 75 18.574 12.635 -9.399 1.00 0.00 C ATOM 1159 OE1 GLU A 75 18.035 12.426 -10.507 1.00 0.00 O ATOM 1160 OE2 GLU A 75 19.215 13.679 -9.156 1.00 0.00 O ATOM 0 H GLU A 75 17.632 9.439 -7.335 1.00 0.00 H new ATOM 0 HA GLU A 75 20.422 8.727 -7.512 1.00 0.00 H new ATOM 0 HB2 GLU A 75 20.525 10.921 -8.709 1.00 0.00 H new ATOM 0 HB3 GLU A 75 19.302 9.851 -9.366 1.00 0.00 H new ATOM 0 HG2 GLU A 75 17.507 11.108 -8.328 1.00 0.00 H new ATOM 0 HG3 GLU A 75 18.626 12.025 -7.340 1.00 0.00 H new ATOM 1167 N GLU A 76 21.598 10.485 -6.038 1.00 0.00 N ATOM 1168 CA GLU A 76 22.277 11.340 -5.055 1.00 0.00 C ATOM 1169 C GLU A 76 22.994 12.466 -5.807 1.00 0.00 C ATOM 1170 O GLU A 76 23.931 12.202 -6.571 1.00 0.00 O ATOM 1171 CB GLU A 76 23.291 10.535 -4.194 1.00 0.00 C ATOM 1172 CG GLU A 76 24.008 11.390 -3.117 1.00 0.00 C ATOM 1173 CD GLU A 76 25.117 10.641 -2.357 1.00 0.00 C ATOM 1174 OE1 GLU A 76 26.170 10.349 -2.962 1.00 0.00 O ATOM 1175 OE2 GLU A 76 24.939 10.320 -1.163 1.00 0.00 O ATOM 0 H GLU A 76 22.234 10.036 -6.698 1.00 0.00 H new ATOM 0 HA GLU A 76 21.535 11.752 -4.371 1.00 0.00 H new ATOM 0 HB2 GLU A 76 22.768 9.714 -3.705 1.00 0.00 H new ATOM 0 HB3 GLU A 76 24.039 10.090 -4.850 1.00 0.00 H new ATOM 0 HG2 GLU A 76 24.440 12.269 -3.595 1.00 0.00 H new ATOM 0 HG3 GLU A 76 23.269 11.747 -2.400 1.00 0.00 H new ATOM 1182 N ASP A 77 22.525 13.706 -5.608 1.00 0.00 N ATOM 1183 CA ASP A 77 23.136 14.914 -6.196 1.00 0.00 C ATOM 1184 C ASP A 77 24.384 15.338 -5.391 1.00 0.00 C ATOM 1185 O ASP A 77 25.226 16.086 -5.896 1.00 0.00 O ATOM 1186 CB ASP A 77 22.085 16.060 -6.232 1.00 0.00 C ATOM 1187 CG ASP A 77 22.585 17.339 -6.944 1.00 0.00 C ATOM 1188 OD1 ASP A 77 22.703 17.326 -8.186 1.00 0.00 O ATOM 1189 OD2 ASP A 77 22.886 18.350 -6.270 1.00 0.00 O ATOM 0 H ASP A 77 21.707 13.904 -5.032 1.00 0.00 H new ATOM 0 HA ASP A 77 23.456 14.695 -7.215 1.00 0.00 H new ATOM 0 HB2 ASP A 77 21.187 15.702 -6.735 1.00 0.00 H new ATOM 0 HB3 ASP A 77 21.799 16.311 -5.211 1.00 0.00 H new