USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 547 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot 135:sc= 1.15 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 1.1 USER MOD Single : A 1 MET CE :methyl -162:sc= -0.0324 (180deg=-0.364) USER MOD Single : A 1 MET N :NH3+ 174:sc= 0.731 (180deg=0.676) USER MOD Single : A 2 GLN : amide:sc= 0.919 K(o=0.92,f=-0.37) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.19 USER MOD Single : A 14 THR OG1 : rot -88:sc= 0.172 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.71 K(o=0.71,f=-0.62) USER MOD Single : A 27 LYS NZ :NH3+ -179:sc= 1.32 (180deg=1.25) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.372 X(o=-0.37,f=-0.61) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.048 X(o=-0.048,f=-0.048) USER MOD Single : A 41 GLN : amide:sc= 1.73 K(o=1.7,f=-2.3!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.777 K(o=0.78,f=-3.7!) USER MOD Single : A 59 TYR OH : rot -165:sc= 1.31 USER MOD Single : A 60 ASN : amide:sc= -0.0294 X(o=-0.029,f=-0.029) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 56:sc= 1.21 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.164 51.630 20.876 1.00 0.00 N ATOM 2 CA MET A 1 32.739 51.861 22.210 1.00 0.00 C ATOM 3 C MET A 1 34.180 52.363 22.099 1.00 0.00 C ATOM 4 O MET A 1 34.806 52.182 21.057 1.00 0.00 O ATOM 5 CB MET A 1 32.631 50.635 23.110 1.00 0.00 C ATOM 6 CG MET A 1 33.309 49.386 22.553 1.00 0.00 C ATOM 7 SD MET A 1 33.102 47.907 23.576 1.00 0.00 S ATOM 8 CE MET A 1 34.246 46.832 22.674 1.00 0.00 C ATOM 0 H1 MET A 1 31.225 51.195 20.974 1.00 0.00 H new ATOM 0 H2 MET A 1 32.075 52.537 20.375 1.00 0.00 H new ATOM 0 H3 MET A 1 32.785 50.995 20.335 1.00 0.00 H new ATOM 0 HA MET A 1 32.147 52.641 22.690 1.00 0.00 H new ATOM 0 HB2 MET A 1 33.070 50.871 24.080 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.577 50.416 23.282 1.00 0.00 H new ATOM 0 HG2 MET A 1 32.912 49.184 21.558 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.374 49.586 22.436 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.043 45.791 22.927 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.113 46.977 21.602 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.271 47.079 22.949 1.00 0.00 H new ATOM 20 N GLN A 2 34.729 52.955 23.157 1.00 0.00 N ATOM 21 CA GLN A 2 36.137 53.278 23.277 1.00 0.00 C ATOM 22 C GLN A 2 36.857 52.360 24.266 1.00 0.00 C ATOM 23 O GLN A 2 36.279 51.970 25.278 1.00 0.00 O ATOM 24 CB GLN A 2 36.351 54.760 23.575 1.00 0.00 C ATOM 25 CG GLN A 2 35.944 55.222 24.972 1.00 0.00 C ATOM 26 CD GLN A 2 36.177 56.715 25.210 1.00 0.00 C ATOM 27 OE1 GLN A 2 36.591 57.482 24.343 1.00 0.00 O ATOM 28 NE2 GLN A 2 35.928 57.219 26.415 1.00 0.00 N ATOM 0 H GLN A 2 34.185 53.229 23.975 1.00 0.00 H new ATOM 0 HA GLN A 2 36.597 53.089 22.307 1.00 0.00 H new ATOM 0 HB2 GLN A 2 37.406 54.992 23.429 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.792 55.343 22.843 1.00 0.00 H new ATOM 0 HG2 GLN A 2 34.889 54.997 25.128 1.00 0.00 H new ATOM 0 HG3 GLN A 2 36.504 54.652 25.713 1.00 0.00 H new ATOM 0 HE21 GLN A 2 35.583 56.613 27.160 1.00 0.00 H new ATOM 0 HE22 GLN A 2 36.082 58.211 26.594 1.00 0.00 H new ATOM 37 N ILE A 3 38.120 52.043 23.992 1.00 0.00 N ATOM 38 CA ILE A 3 38.995 51.312 24.885 1.00 0.00 C ATOM 39 C ILE A 3 40.300 52.069 25.135 1.00 0.00 C ATOM 40 O ILE A 3 40.775 52.800 24.269 1.00 0.00 O ATOM 41 CB ILE A 3 39.254 49.883 24.415 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.929 49.817 23.048 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.962 49.072 24.448 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.472 48.438 22.686 1.00 0.00 C ATOM 0 H ILE A 3 38.570 52.299 23.113 1.00 0.00 H new ATOM 0 HA ILE A 3 38.471 51.232 25.837 1.00 0.00 H new ATOM 0 HB ILE A 3 39.962 49.437 25.113 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.213 50.125 22.286 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.748 50.536 23.024 1.00 0.00 H new ATOM 0 HG21 ILE A 3 38.162 48.055 24.110 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.574 49.046 25.466 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.225 49.534 23.791 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.936 48.477 21.700 1.00 0.00 H new ATOM 0 HD12 ILE A 3 41.214 48.134 23.424 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.655 47.717 22.674 1.00 0.00 H new ATOM 56 N PHE A 4 40.896 51.848 26.303 1.00 0.00 N ATOM 57 CA PHE A 4 42.138 52.462 26.725 1.00 0.00 C ATOM 58 C PHE A 4 43.247 51.413 26.823 1.00 0.00 C ATOM 59 O PHE A 4 43.012 50.294 27.274 1.00 0.00 O ATOM 60 CB PHE A 4 41.916 53.191 28.048 1.00 0.00 C ATOM 61 CG PHE A 4 40.916 54.319 27.970 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.339 55.605 27.612 1.00 0.00 C ATOM 63 CD2 PHE A 4 39.559 54.084 28.227 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.411 56.646 27.493 1.00 0.00 C ATOM 65 CE2 PHE A 4 38.628 55.122 28.094 1.00 0.00 C ATOM 66 CZ PHE A 4 39.051 56.402 27.719 1.00 0.00 C ATOM 0 H PHE A 4 40.509 51.213 27.002 1.00 0.00 H new ATOM 0 HA PHE A 4 42.460 53.194 25.985 1.00 0.00 H new ATOM 0 HB2 PHE A 4 41.579 52.472 28.795 1.00 0.00 H new ATOM 0 HB3 PHE A 4 42.869 53.588 28.396 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.386 55.794 27.427 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.230 53.100 28.528 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.744 57.638 27.227 1.00 0.00 H new ATOM 0 HE2 PHE A 4 37.581 54.934 28.281 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.331 57.199 27.604 1.00 0.00 H new ATOM 76 N VAL A 5 44.461 51.748 26.394 1.00 0.00 N ATOM 77 CA VAL A 5 45.574 50.823 26.323 1.00 0.00 C ATOM 78 C VAL A 5 46.841 51.469 26.886 1.00 0.00 C ATOM 79 O VAL A 5 47.426 52.363 26.279 1.00 0.00 O ATOM 80 CB VAL A 5 45.785 50.333 24.893 1.00 0.00 C ATOM 81 CG1 VAL A 5 46.878 49.270 24.835 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.533 49.726 24.264 1.00 0.00 C ATOM 0 H VAL A 5 44.697 52.690 26.081 1.00 0.00 H new ATOM 0 HA VAL A 5 45.340 49.952 26.935 1.00 0.00 H new ATOM 0 HB VAL A 5 46.064 51.225 24.331 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.008 48.938 23.805 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.814 49.690 25.202 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.593 48.421 25.457 1.00 0.00 H new ATOM 0 HG21 VAL A 5 44.758 49.400 23.248 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.206 48.871 24.856 1.00 0.00 H new ATOM 0 HG23 VAL A 5 43.740 50.473 24.238 1.00 0.00 H new ATOM 92 N LYS A 6 47.291 50.999 28.046 1.00 0.00 N ATOM 93 CA LYS A 6 48.523 51.412 28.688 1.00 0.00 C ATOM 94 C LYS A 6 49.724 50.780 27.983 1.00 0.00 C ATOM 95 O LYS A 6 49.874 49.560 27.991 1.00 0.00 O ATOM 96 CB LYS A 6 48.445 51.031 30.165 1.00 0.00 C ATOM 97 CG LYS A 6 49.701 51.305 30.987 1.00 0.00 C ATOM 98 CD LYS A 6 50.095 52.771 31.137 1.00 0.00 C ATOM 99 CE LYS A 6 49.044 53.564 31.909 1.00 0.00 C ATOM 100 NZ LYS A 6 49.565 54.858 32.376 1.00 0.00 N ATOM 0 H LYS A 6 46.784 50.293 28.580 1.00 0.00 H new ATOM 0 HA LYS A 6 48.655 52.492 28.616 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.613 51.571 30.617 1.00 0.00 H new ATOM 0 HB3 LYS A 6 48.212 49.969 30.235 1.00 0.00 H new ATOM 0 HG2 LYS A 6 49.559 50.884 31.982 1.00 0.00 H new ATOM 0 HG3 LYS A 6 50.534 50.770 30.530 1.00 0.00 H new ATOM 0 HD2 LYS A 6 51.053 52.839 31.653 1.00 0.00 H new ATOM 0 HD3 LYS A 6 50.232 53.213 30.150 1.00 0.00 H new ATOM 0 HE2 LYS A 6 48.175 53.731 31.272 1.00 0.00 H new ATOM 0 HE3 LYS A 6 48.704 52.980 32.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 48.820 55.365 32.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 50.378 54.698 33.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 49.865 55.427 31.559 1.00 0.00 H new ATOM 168 N LYS A 11 52.646 55.769 28.647 1.00 0.00 N ATOM 169 CA LYS A 11 51.605 56.511 27.967 1.00 0.00 C ATOM 170 C LYS A 11 50.393 55.627 27.664 1.00 0.00 C ATOM 171 O LYS A 11 50.557 54.463 27.309 1.00 0.00 O ATOM 172 CB LYS A 11 52.133 57.168 26.694 1.00 0.00 C ATOM 173 CG LYS A 11 53.173 58.251 26.966 1.00 0.00 C ATOM 174 CD LYS A 11 53.671 58.936 25.695 1.00 0.00 C ATOM 175 CE LYS A 11 52.531 59.640 24.963 1.00 0.00 C ATOM 176 NZ LYS A 11 52.977 60.350 23.755 1.00 0.00 N ATOM 0 HA LYS A 11 51.278 57.302 28.641 1.00 0.00 H new ATOM 0 HB2 LYS A 11 52.572 56.404 26.053 1.00 0.00 H new ATOM 0 HB3 LYS A 11 51.299 57.604 26.144 1.00 0.00 H new ATOM 0 HG2 LYS A 11 52.743 59.000 27.631 1.00 0.00 H new ATOM 0 HG3 LYS A 11 54.021 57.809 27.489 1.00 0.00 H new ATOM 0 HD2 LYS A 11 54.445 59.660 25.949 1.00 0.00 H new ATOM 0 HD3 LYS A 11 54.128 58.198 25.036 1.00 0.00 H new ATOM 0 HE2 LYS A 11 51.775 58.905 24.688 1.00 0.00 H new ATOM 0 HE3 LYS A 11 52.055 60.349 25.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 52.161 60.808 23.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 53.679 61.072 24.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 53.407 59.673 23.093 1.00 0.00 H new ATOM 190 N THR A 12 49.188 56.185 27.747 1.00 0.00 N ATOM 191 CA THR A 12 47.951 55.517 27.397 1.00 0.00 C ATOM 192 C THR A 12 47.469 55.975 26.019 1.00 0.00 C ATOM 193 O THR A 12 47.265 57.167 25.801 1.00 0.00 O ATOM 194 CB THR A 12 46.861 55.752 28.441 1.00 0.00 C ATOM 195 OG1 THR A 12 47.327 55.392 29.722 1.00 0.00 O ATOM 196 CG2 THR A 12 45.621 54.905 28.173 1.00 0.00 C ATOM 0 H THR A 12 49.048 57.142 28.070 1.00 0.00 H new ATOM 0 HA THR A 12 48.156 54.447 27.368 1.00 0.00 H new ATOM 0 HB THR A 12 46.607 56.811 28.387 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.621 55.549 30.383 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.872 55.104 28.939 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.214 55.156 27.194 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.890 53.849 28.194 1.00 0.00 H new ATOM 204 N ILE A 13 47.233 55.028 25.117 1.00 0.00 N ATOM 205 CA ILE A 13 46.599 55.260 23.834 1.00 0.00 C ATOM 206 C ILE A 13 45.131 54.832 23.870 1.00 0.00 C ATOM 207 O ILE A 13 44.756 53.955 24.645 1.00 0.00 O ATOM 208 CB ILE A 13 47.392 54.645 22.685 1.00 0.00 C ATOM 209 CG1 ILE A 13 47.393 53.119 22.710 1.00 0.00 C ATOM 210 CG2 ILE A 13 48.806 55.220 22.667 1.00 0.00 C ATOM 211 CD1 ILE A 13 48.147 52.459 21.560 1.00 0.00 C ATOM 0 H ILE A 13 47.487 54.052 25.267 1.00 0.00 H new ATOM 0 HA ILE A 13 46.602 56.332 23.636 1.00 0.00 H new ATOM 0 HB ILE A 13 46.892 54.915 21.755 1.00 0.00 H new ATOM 0 HG12 ILE A 13 47.831 52.786 23.651 1.00 0.00 H new ATOM 0 HG13 ILE A 13 46.361 52.769 22.697 1.00 0.00 H new ATOM 0 HG21 ILE A 13 49.368 54.778 21.845 1.00 0.00 H new ATOM 0 HG22 ILE A 13 48.758 56.301 22.534 1.00 0.00 H new ATOM 0 HG23 ILE A 13 49.303 54.993 23.610 1.00 0.00 H new ATOM 0 HD11 ILE A 13 48.092 51.375 21.663 1.00 0.00 H new ATOM 0 HD12 ILE A 13 47.698 52.756 20.612 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.191 52.773 21.581 1.00 0.00 H new ATOM 223 N THR A 14 44.301 55.449 23.034 1.00 0.00 N ATOM 224 CA THR A 14 42.863 55.269 23.008 1.00 0.00 C ATOM 225 C THR A 14 42.413 54.856 21.605 1.00 0.00 C ATOM 226 O THR A 14 42.968 55.337 20.620 1.00 0.00 O ATOM 227 CB THR A 14 42.153 56.538 23.469 1.00 0.00 C ATOM 228 OG1 THR A 14 42.685 56.992 24.692 1.00 0.00 O ATOM 229 CG2 THR A 14 40.656 56.354 23.703 1.00 0.00 C ATOM 0 H THR A 14 44.629 56.112 22.332 1.00 0.00 H new ATOM 0 HA THR A 14 42.593 54.472 23.701 1.00 0.00 H new ATOM 0 HB THR A 14 42.308 57.249 22.658 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.212 56.562 25.434 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.220 57.298 24.029 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.179 56.035 22.776 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.498 55.597 24.471 1.00 0.00 H new ATOM 237 N LEU A 15 41.435 53.962 21.496 1.00 0.00 N ATOM 238 CA LEU A 15 40.902 53.487 20.235 1.00 0.00 C ATOM 239 C LEU A 15 39.382 53.317 20.281 1.00 0.00 C ATOM 240 O LEU A 15 38.858 52.785 21.258 1.00 0.00 O ATOM 241 CB LEU A 15 41.593 52.170 19.894 1.00 0.00 C ATOM 242 CG LEU A 15 41.249 51.576 18.532 1.00 0.00 C ATOM 243 CD1 LEU A 15 41.863 52.384 17.392 1.00 0.00 C ATOM 244 CD2 LEU A 15 41.783 50.150 18.424 1.00 0.00 C ATOM 0 H LEU A 15 40.983 53.540 22.307 1.00 0.00 H new ATOM 0 HA LEU A 15 41.100 54.227 19.460 1.00 0.00 H new ATOM 0 HB2 LEU A 15 42.671 52.324 19.941 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.341 51.439 20.663 1.00 0.00 H new ATOM 0 HG LEU A 15 40.162 51.593 18.448 1.00 0.00 H new ATOM 0 HD11 LEU A 15 41.595 51.929 16.438 1.00 0.00 H new ATOM 0 HD12 LEU A 15 41.485 53.406 17.426 1.00 0.00 H new ATOM 0 HD13 LEU A 15 42.948 52.395 17.497 1.00 0.00 H new ATOM 0 HD21 LEU A 15 41.530 49.740 17.447 1.00 0.00 H new ATOM 0 HD22 LEU A 15 42.866 50.157 18.545 1.00 0.00 H new ATOM 0 HD23 LEU A 15 41.335 49.534 19.203 1.00 0.00 H new ATOM 256 N GLU A 16 38.681 53.699 19.218 1.00 0.00 N ATOM 257 CA GLU A 16 37.281 53.382 19.020 1.00 0.00 C ATOM 258 C GLU A 16 37.106 52.067 18.258 1.00 0.00 C ATOM 259 O GLU A 16 37.613 51.895 17.152 1.00 0.00 O ATOM 260 CB GLU A 16 36.551 54.495 18.272 1.00 0.00 C ATOM 261 CG GLU A 16 36.386 55.762 19.106 1.00 0.00 C ATOM 262 CD GLU A 16 35.659 56.808 18.258 1.00 0.00 C ATOM 263 OE1 GLU A 16 36.294 57.793 17.825 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.466 56.607 17.942 1.00 0.00 O ATOM 0 H GLU A 16 39.083 54.248 18.458 1.00 0.00 H new ATOM 0 HA GLU A 16 36.845 53.279 20.014 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.100 54.735 17.361 1.00 0.00 H new ATOM 0 HB3 GLU A 16 35.568 54.137 17.967 1.00 0.00 H new ATOM 0 HG2 GLU A 16 35.819 55.548 20.012 1.00 0.00 H new ATOM 0 HG3 GLU A 16 37.359 56.139 19.420 1.00 0.00 H new ATOM 271 N VAL A 17 36.348 51.142 18.841 1.00 0.00 N ATOM 272 CA VAL A 17 36.198 49.768 18.405 1.00 0.00 C ATOM 273 C VAL A 17 34.776 49.275 18.679 1.00 0.00 C ATOM 274 O VAL A 17 34.069 49.821 19.522 1.00 0.00 O ATOM 275 CB VAL A 17 37.268 48.917 19.085 1.00 0.00 C ATOM 276 CG1 VAL A 17 37.055 48.781 20.590 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.431 47.528 18.475 1.00 0.00 C ATOM 0 H VAL A 17 35.795 51.348 19.673 1.00 0.00 H new ATOM 0 HA VAL A 17 36.344 49.688 17.328 1.00 0.00 H new ATOM 0 HB VAL A 17 38.189 49.472 18.908 1.00 0.00 H new ATOM 0 HG11 VAL A 17 37.847 48.165 21.015 1.00 0.00 H new ATOM 0 HG12 VAL A 17 37.076 49.768 21.051 1.00 0.00 H new ATOM 0 HG13 VAL A 17 36.090 48.312 20.780 1.00 0.00 H new ATOM 0 HG21 VAL A 17 38.209 46.984 19.011 1.00 0.00 H new ATOM 0 HG22 VAL A 17 36.489 46.984 18.551 1.00 0.00 H new ATOM 0 HG23 VAL A 17 37.712 47.622 17.426 1.00 0.00 H new ATOM 287 N GLU A 18 34.342 48.231 17.978 1.00 0.00 N ATOM 288 CA GLU A 18 33.072 47.569 18.205 1.00 0.00 C ATOM 289 C GLU A 18 33.281 46.187 18.828 1.00 0.00 C ATOM 290 O GLU A 18 34.266 45.524 18.511 1.00 0.00 O ATOM 291 CB GLU A 18 32.287 47.468 16.901 1.00 0.00 C ATOM 292 CG GLU A 18 32.109 48.816 16.206 1.00 0.00 C ATOM 293 CD GLU A 18 31.142 48.681 15.027 1.00 0.00 C ATOM 294 OE1 GLU A 18 29.918 48.686 15.277 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.597 48.583 13.866 1.00 0.00 O ATOM 0 H GLU A 18 34.882 47.816 17.218 1.00 0.00 H new ATOM 0 HA GLU A 18 32.492 48.166 18.909 1.00 0.00 H new ATOM 0 HB2 GLU A 18 32.800 46.783 16.226 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.306 47.039 17.106 1.00 0.00 H new ATOM 0 HG2 GLU A 18 31.729 49.551 16.915 1.00 0.00 H new ATOM 0 HG3 GLU A 18 33.074 49.182 15.854 1.00 0.00 H new ATOM 302 N PRO A 19 32.388 45.697 19.683 1.00 0.00 N ATOM 303 CA PRO A 19 32.590 44.438 20.370 1.00 0.00 C ATOM 304 C PRO A 19 32.600 43.226 19.436 1.00 0.00 C ATOM 305 O PRO A 19 33.217 42.217 19.771 1.00 0.00 O ATOM 306 CB PRO A 19 31.502 44.380 21.439 1.00 0.00 C ATOM 307 CG PRO A 19 30.379 45.228 20.849 1.00 0.00 C ATOM 308 CD PRO A 19 31.154 46.321 20.117 1.00 0.00 C ATOM 0 HA PRO A 19 33.581 44.392 20.821 1.00 0.00 H new ATOM 0 HB2 PRO A 19 31.177 43.357 21.626 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.852 44.782 22.390 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.747 44.653 20.172 1.00 0.00 H new ATOM 0 HG3 PRO A 19 29.728 45.637 21.622 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.587 46.702 19.268 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.352 47.168 20.774 1.00 0.00 H new ATOM 316 N SER A 20 31.995 43.325 18.256 1.00 0.00 N ATOM 317 CA SER A 20 32.036 42.328 17.206 1.00 0.00 C ATOM 318 C SER A 20 33.242 42.435 16.271 1.00 0.00 C ATOM 319 O SER A 20 33.177 42.008 15.121 1.00 0.00 O ATOM 320 CB SER A 20 30.716 42.285 16.441 1.00 0.00 C ATOM 321 OG SER A 20 29.606 42.286 17.311 1.00 0.00 O ATOM 0 H SER A 20 31.439 44.141 18.000 1.00 0.00 H new ATOM 0 HA SER A 20 32.173 41.373 17.713 1.00 0.00 H new ATOM 0 HB2 SER A 20 30.655 43.144 15.773 1.00 0.00 H new ATOM 0 HB3 SER A 20 30.687 41.392 15.816 1.00 0.00 H new ATOM 0 HG SER A 20 28.779 42.260 16.786 1.00 0.00 H new ATOM 327 N ASP A 21 34.344 43.021 16.731 1.00 0.00 N ATOM 328 CA ASP A 21 35.649 43.046 16.101 1.00 0.00 C ATOM 329 C ASP A 21 36.675 42.291 16.948 1.00 0.00 C ATOM 330 O ASP A 21 36.410 41.988 18.110 1.00 0.00 O ATOM 331 CB ASP A 21 36.029 44.506 15.878 1.00 0.00 C ATOM 332 CG ASP A 21 37.158 44.737 14.870 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.692 43.785 14.262 1.00 0.00 O ATOM 334 OD2 ASP A 21 37.520 45.918 14.675 1.00 0.00 O ATOM 0 H ASP A 21 34.342 43.525 17.618 1.00 0.00 H new ATOM 0 HA ASP A 21 35.627 42.535 15.138 1.00 0.00 H new ATOM 0 HB2 ASP A 21 35.145 45.048 15.541 1.00 0.00 H new ATOM 0 HB3 ASP A 21 36.323 44.939 16.834 1.00 0.00 H new ATOM 339 N THR A 22 37.839 41.956 16.399 1.00 0.00 N ATOM 340 CA THR A 22 38.816 41.069 17.000 1.00 0.00 C ATOM 341 C THR A 22 40.041 41.762 17.602 1.00 0.00 C ATOM 342 O THR A 22 40.479 42.815 17.147 1.00 0.00 O ATOM 343 CB THR A 22 39.268 39.957 16.059 1.00 0.00 C ATOM 344 OG1 THR A 22 39.801 40.478 14.862 1.00 0.00 O ATOM 345 CG2 THR A 22 38.131 39.011 15.687 1.00 0.00 C ATOM 0 H THR A 22 38.134 42.311 15.489 1.00 0.00 H new ATOM 0 HA THR A 22 38.265 40.632 17.832 1.00 0.00 H new ATOM 0 HB THR A 22 40.032 39.406 16.607 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.083 39.741 14.281 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.506 38.238 15.016 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.734 38.547 16.590 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.340 39.571 15.189 1.00 0.00 H new ATOM 353 N ILE A 23 40.636 41.120 18.603 1.00 0.00 N ATOM 354 CA ILE A 23 41.856 41.566 19.246 1.00 0.00 C ATOM 355 C ILE A 23 43.011 41.645 18.245 1.00 0.00 C ATOM 356 O ILE A 23 43.772 42.611 18.260 1.00 0.00 O ATOM 357 CB ILE A 23 42.168 40.654 20.428 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.106 40.699 21.524 1.00 0.00 C ATOM 359 CG2 ILE A 23 43.543 40.920 21.036 1.00 0.00 C ATOM 360 CD1 ILE A 23 40.903 42.046 22.210 1.00 0.00 C ATOM 0 H ILE A 23 40.269 40.253 18.996 1.00 0.00 H new ATOM 0 HA ILE A 23 41.717 42.577 19.628 1.00 0.00 H new ATOM 0 HB ILE A 23 42.167 39.651 20.001 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.155 40.388 21.092 1.00 0.00 H new ATOM 0 HG13 ILE A 23 41.367 39.963 22.285 1.00 0.00 H new ATOM 0 HG21 ILE A 23 43.708 40.241 21.873 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.312 40.759 20.281 1.00 0.00 H new ATOM 0 HG23 ILE A 23 43.591 41.950 21.390 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.125 41.955 22.968 1.00 0.00 H new ATOM 0 HD12 ILE A 23 41.835 42.358 22.682 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.604 42.789 21.471 1.00 0.00 H new ATOM 372 N GLU A 24 43.119 40.696 17.319 1.00 0.00 N ATOM 373 CA GLU A 24 44.134 40.707 16.286 1.00 0.00 C ATOM 374 C GLU A 24 44.042 41.919 15.357 1.00 0.00 C ATOM 375 O GLU A 24 45.063 42.525 15.038 1.00 0.00 O ATOM 376 CB GLU A 24 44.064 39.377 15.541 1.00 0.00 C ATOM 377 CG GLU A 24 45.201 39.181 14.540 1.00 0.00 C ATOM 378 CD GLU A 24 45.549 37.695 14.431 1.00 0.00 C ATOM 379 OE1 GLU A 24 44.788 36.926 13.806 1.00 0.00 O ATOM 380 OE2 GLU A 24 46.613 37.302 14.958 1.00 0.00 O ATOM 0 H GLU A 24 42.494 39.891 17.270 1.00 0.00 H new ATOM 0 HA GLU A 24 45.114 40.813 16.750 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.083 38.562 16.265 1.00 0.00 H new ATOM 0 HB3 GLU A 24 43.112 39.314 15.015 1.00 0.00 H new ATOM 0 HG2 GLU A 24 44.908 39.567 13.564 1.00 0.00 H new ATOM 0 HG3 GLU A 24 46.077 39.746 14.857 1.00 0.00 H new ATOM 387 N ASN A 25 42.836 42.352 15.001 1.00 0.00 N ATOM 388 CA ASN A 25 42.625 43.557 14.223 1.00 0.00 C ATOM 389 C ASN A 25 43.016 44.818 14.996 1.00 0.00 C ATOM 390 O ASN A 25 43.597 45.740 14.426 1.00 0.00 O ATOM 391 CB ASN A 25 41.169 43.570 13.766 1.00 0.00 C ATOM 392 CG ASN A 25 40.869 44.577 12.654 1.00 0.00 C ATOM 393 OD1 ASN A 25 41.719 44.976 11.861 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.608 44.977 12.519 1.00 0.00 N ATOM 0 H ASN A 25 41.973 41.868 15.249 1.00 0.00 H new ATOM 0 HA ASN A 25 43.276 43.555 13.349 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.900 42.572 13.419 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.533 43.792 14.623 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.352 45.610 11.761 1.00 0.00 H new ATOM 0 HD22 ASN A 25 38.897 44.650 13.173 1.00 0.00 H new ATOM 401 N VAL A 26 42.785 44.855 16.305 1.00 0.00 N ATOM 402 CA VAL A 26 43.282 45.907 17.169 1.00 0.00 C ATOM 403 C VAL A 26 44.811 45.943 17.189 1.00 0.00 C ATOM 404 O VAL A 26 45.392 47.012 17.019 1.00 0.00 O ATOM 405 CB VAL A 26 42.696 45.807 18.574 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.318 46.802 19.550 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.190 46.055 18.562 1.00 0.00 C ATOM 0 H VAL A 26 42.241 44.145 16.796 1.00 0.00 H new ATOM 0 HA VAL A 26 42.945 46.856 16.752 1.00 0.00 H new ATOM 0 HB VAL A 26 42.921 44.794 18.907 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.861 46.683 20.532 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.390 46.618 19.624 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.149 47.817 19.192 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.800 45.977 19.577 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.989 47.052 18.171 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.704 45.313 17.929 1.00 0.00 H new ATOM 417 N LYS A 27 45.483 44.800 17.302 1.00 0.00 N ATOM 418 CA LYS A 27 46.929 44.710 17.270 1.00 0.00 C ATOM 419 C LYS A 27 47.520 45.160 15.934 1.00 0.00 C ATOM 420 O LYS A 27 48.533 45.856 15.919 1.00 0.00 O ATOM 421 CB LYS A 27 47.377 43.286 17.586 1.00 0.00 C ATOM 422 CG LYS A 27 47.078 42.883 19.028 1.00 0.00 C ATOM 423 CD LYS A 27 47.363 41.402 19.261 1.00 0.00 C ATOM 424 CE LYS A 27 48.858 41.102 19.220 1.00 0.00 C ATOM 425 NZ LYS A 27 49.097 39.663 19.030 1.00 0.00 N ATOM 0 H LYS A 27 45.023 43.897 17.420 1.00 0.00 H new ATOM 0 HA LYS A 27 47.305 45.392 18.033 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.878 42.593 16.908 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.448 43.197 17.402 1.00 0.00 H new ATOM 0 HG2 LYS A 27 47.682 43.483 19.708 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.034 43.095 19.258 1.00 0.00 H new ATOM 0 HD2 LYS A 27 46.958 41.101 20.227 1.00 0.00 H new ATOM 0 HD3 LYS A 27 46.852 40.809 18.502 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.324 41.663 18.410 1.00 0.00 H new ATOM 0 HE3 LYS A 27 49.326 41.434 20.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 50.121 39.479 19.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.656 39.132 19.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 48.684 39.359 18.125 1.00 0.00 H new ATOM 439 N ALA A 28 46.875 44.814 14.823 1.00 0.00 N ATOM 440 CA ALA A 28 47.268 45.266 13.504 1.00 0.00 C ATOM 441 C ALA A 28 47.199 46.788 13.361 1.00 0.00 C ATOM 442 O ALA A 28 48.100 47.385 12.776 1.00 0.00 O ATOM 443 CB ALA A 28 46.402 44.555 12.467 1.00 0.00 C ATOM 0 H ALA A 28 46.057 44.205 14.820 1.00 0.00 H new ATOM 0 HA ALA A 28 48.315 45.009 13.341 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.686 44.885 11.468 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.547 43.478 12.548 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.353 44.794 12.643 1.00 0.00 H new ATOM 449 N LYS A 29 46.204 47.444 13.954 1.00 0.00 N ATOM 450 CA LYS A 29 46.120 48.889 14.007 1.00 0.00 C ATOM 451 C LYS A 29 47.218 49.496 14.884 1.00 0.00 C ATOM 452 O LYS A 29 47.851 50.469 14.483 1.00 0.00 O ATOM 453 CB LYS A 29 44.728 49.311 14.468 1.00 0.00 C ATOM 454 CG LYS A 29 43.647 49.011 13.434 1.00 0.00 C ATOM 455 CD LYS A 29 42.258 49.199 14.039 1.00 0.00 C ATOM 456 CE LYS A 29 41.172 48.855 13.024 1.00 0.00 C ATOM 457 NZ LYS A 29 39.852 48.857 13.673 1.00 0.00 N ATOM 0 H LYS A 29 45.426 46.973 14.416 1.00 0.00 H new ATOM 0 HA LYS A 29 46.284 49.278 13.002 1.00 0.00 H new ATOM 0 HB2 LYS A 29 44.487 48.797 15.399 1.00 0.00 H new ATOM 0 HB3 LYS A 29 44.730 50.379 14.685 1.00 0.00 H new ATOM 0 HG2 LYS A 29 43.767 49.669 12.573 1.00 0.00 H new ATOM 0 HG3 LYS A 29 43.756 47.989 13.072 1.00 0.00 H new ATOM 0 HD2 LYS A 29 42.152 48.566 14.920 1.00 0.00 H new ATOM 0 HD3 LYS A 29 42.138 50.230 14.371 1.00 0.00 H new ATOM 0 HE2 LYS A 29 41.185 49.577 12.208 1.00 0.00 H new ATOM 0 HE3 LYS A 29 41.369 47.876 12.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 39.120 48.622 12.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.840 48.151 14.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.661 49.800 14.069 1.00 0.00 H new ATOM 471 N ILE A 30 47.517 48.897 16.033 1.00 0.00 N ATOM 472 CA ILE A 30 48.560 49.323 16.945 1.00 0.00 C ATOM 473 C ILE A 30 49.949 49.316 16.302 1.00 0.00 C ATOM 474 O ILE A 30 50.790 50.122 16.692 1.00 0.00 O ATOM 475 CB ILE A 30 48.483 48.525 18.243 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.251 48.951 19.038 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.720 48.666 19.125 1.00 0.00 C ATOM 478 CD1 ILE A 30 46.900 48.042 20.213 1.00 0.00 C ATOM 0 H ILE A 30 47.017 48.071 16.362 1.00 0.00 H new ATOM 0 HA ILE A 30 48.385 50.369 17.198 1.00 0.00 H new ATOM 0 HB ILE A 30 48.419 47.476 17.952 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.410 49.962 19.414 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.397 48.993 18.362 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.592 48.071 20.029 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.597 48.315 18.581 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.856 49.713 19.396 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.012 48.425 20.716 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.704 47.034 19.847 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.733 48.017 20.915 1.00 0.00 H new ATOM 490 N GLN A 31 50.184 48.529 15.257 1.00 0.00 N ATOM 491 CA GLN A 31 51.425 48.534 14.510 1.00 0.00 C ATOM 492 C GLN A 31 51.698 49.864 13.804 1.00 0.00 C ATOM 493 O GLN A 31 52.859 50.221 13.615 1.00 0.00 O ATOM 494 CB GLN A 31 51.425 47.369 13.525 1.00 0.00 C ATOM 495 CG GLN A 31 52.808 47.105 12.937 1.00 0.00 C ATOM 496 CD GLN A 31 52.862 45.872 12.033 1.00 0.00 C ATOM 497 OE1 GLN A 31 51.863 45.393 11.499 1.00 0.00 O ATOM 498 NE2 GLN A 31 54.047 45.304 11.829 1.00 0.00 N ATOM 0 H GLN A 31 49.501 47.859 14.903 1.00 0.00 H new ATOM 0 HA GLN A 31 52.241 48.411 15.222 1.00 0.00 H new ATOM 0 HB2 GLN A 31 51.070 46.470 14.029 1.00 0.00 H new ATOM 0 HB3 GLN A 31 50.724 47.579 12.717 1.00 0.00 H new ATOM 0 HG2 GLN A 31 53.124 47.978 12.366 1.00 0.00 H new ATOM 0 HG3 GLN A 31 53.522 46.981 13.751 1.00 0.00 H new ATOM 0 HE21 GLN A 31 54.882 45.694 12.267 1.00 0.00 H new ATOM 0 HE22 GLN A 31 54.121 44.479 11.234 1.00 0.00 H new ATOM 507 N ASP A 32 50.679 50.646 13.459 1.00 0.00 N ATOM 508 CA ASP A 32 50.854 51.994 12.957 1.00 0.00 C ATOM 509 C ASP A 32 50.887 53.044 14.069 1.00 0.00 C ATOM 510 O ASP A 32 51.594 54.040 13.943 1.00 0.00 O ATOM 511 CB ASP A 32 49.780 52.288 11.914 1.00 0.00 C ATOM 512 CG ASP A 32 49.950 53.665 11.271 1.00 0.00 C ATOM 513 OD1 ASP A 32 49.013 54.485 11.381 1.00 0.00 O ATOM 514 OD2 ASP A 32 50.993 53.928 10.635 1.00 0.00 O ATOM 0 H ASP A 32 49.704 50.354 13.523 1.00 0.00 H new ATOM 0 HA ASP A 32 51.833 52.056 12.482 1.00 0.00 H new ATOM 0 HB2 ASP A 32 49.811 51.522 11.139 1.00 0.00 H new ATOM 0 HB3 ASP A 32 48.797 52.228 12.382 1.00 0.00 H new ATOM 519 N LYS A 33 50.176 52.832 15.174 1.00 0.00 N ATOM 520 CA LYS A 33 50.118 53.778 16.271 1.00 0.00 C ATOM 521 C LYS A 33 51.387 53.800 17.126 1.00 0.00 C ATOM 522 O LYS A 33 51.845 54.886 17.473 1.00 0.00 O ATOM 523 CB LYS A 33 48.872 53.569 17.126 1.00 0.00 C ATOM 524 CG LYS A 33 47.540 53.472 16.389 1.00 0.00 C ATOM 525 CD LYS A 33 47.143 54.667 15.528 1.00 0.00 C ATOM 526 CE LYS A 33 45.844 54.343 14.793 1.00 0.00 C ATOM 527 NZ LYS A 33 45.371 55.449 13.946 1.00 0.00 N ATOM 0 H LYS A 33 49.621 51.990 15.328 1.00 0.00 H new ATOM 0 HA LYS A 33 50.051 54.764 15.810 1.00 0.00 H new ATOM 0 HB2 LYS A 33 49.007 52.656 17.705 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.807 54.392 17.838 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.568 52.588 15.752 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.754 53.309 17.127 1.00 0.00 H new ATOM 0 HD2 LYS A 33 47.012 55.552 16.150 1.00 0.00 H new ATOM 0 HD3 LYS A 33 47.933 54.894 14.813 1.00 0.00 H new ATOM 0 HE2 LYS A 33 45.994 53.458 14.175 1.00 0.00 H new ATOM 0 HE3 LYS A 33 45.073 54.096 15.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 44.487 55.171 13.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 45.199 56.289 14.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 46.092 55.671 13.230 1.00 0.00 H new ATOM 541 N GLU A 34 51.975 52.654 17.453 1.00 0.00 N ATOM 542 CA GLU A 34 53.150 52.515 18.291 1.00 0.00 C ATOM 543 C GLU A 34 54.258 51.642 17.699 1.00 0.00 C ATOM 544 O GLU A 34 55.304 51.479 18.325 1.00 0.00 O ATOM 545 CB GLU A 34 52.743 52.002 19.669 1.00 0.00 C ATOM 546 CG GLU A 34 52.179 53.060 20.613 1.00 0.00 C ATOM 547 CD GLU A 34 53.233 54.038 21.137 1.00 0.00 C ATOM 548 OE1 GLU A 34 54.206 53.611 21.793 1.00 0.00 O ATOM 549 OE2 GLU A 34 53.091 55.259 20.911 1.00 0.00 O ATOM 0 H GLU A 34 51.624 51.755 17.122 1.00 0.00 H new ATOM 0 HA GLU A 34 53.584 53.512 18.367 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.998 51.217 19.542 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.612 51.543 20.140 1.00 0.00 H new ATOM 0 HG2 GLU A 34 51.401 53.621 20.094 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.703 52.564 21.459 1.00 0.00 H new ATOM 556 N GLY A 35 54.082 51.074 16.509 1.00 0.00 N ATOM 557 CA GLY A 35 55.163 50.487 15.743 1.00 0.00 C ATOM 558 C GLY A 35 55.545 49.041 16.066 1.00 0.00 C ATOM 559 O GLY A 35 56.232 48.411 15.266 1.00 0.00 O ATOM 0 H GLY A 35 53.173 51.011 16.050 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.895 50.538 14.688 1.00 0.00 H new ATOM 0 HA3 GLY A 35 56.048 51.108 15.878 1.00 0.00 H new ATOM 563 N ILE A 36 55.103 48.497 17.197 1.00 0.00 N ATOM 564 CA ILE A 36 55.479 47.171 17.647 1.00 0.00 C ATOM 565 C ILE A 36 54.834 46.119 16.742 1.00 0.00 C ATOM 566 O ILE A 36 53.624 46.191 16.539 1.00 0.00 O ATOM 567 CB ILE A 36 55.138 46.958 19.119 1.00 0.00 C ATOM 568 CG1 ILE A 36 55.790 48.022 19.998 1.00 0.00 C ATOM 569 CG2 ILE A 36 55.586 45.573 19.577 1.00 0.00 C ATOM 570 CD1 ILE A 36 55.415 47.966 21.475 1.00 0.00 C ATOM 0 H ILE A 36 54.465 48.977 17.832 1.00 0.00 H new ATOM 0 HA ILE A 36 56.561 47.066 17.572 1.00 0.00 H new ATOM 0 HB ILE A 36 54.056 47.039 19.221 1.00 0.00 H new ATOM 0 HG12 ILE A 36 56.872 47.928 19.911 1.00 0.00 H new ATOM 0 HG13 ILE A 36 55.523 49.005 19.609 1.00 0.00 H new ATOM 0 HG21 ILE A 36 55.335 45.439 20.629 1.00 0.00 H new ATOM 0 HG22 ILE A 36 55.080 44.812 18.983 1.00 0.00 H new ATOM 0 HG23 ILE A 36 56.664 45.478 19.446 1.00 0.00 H new ATOM 0 HD11 ILE A 36 55.930 48.763 22.012 1.00 0.00 H new ATOM 0 HD12 ILE A 36 54.338 48.094 21.582 1.00 0.00 H new ATOM 0 HD13 ILE A 36 55.708 47.001 21.889 1.00 0.00 H new ATOM 582 N PRO A 37 55.559 45.138 16.215 1.00 0.00 N ATOM 583 CA PRO A 37 54.989 44.093 15.389 1.00 0.00 C ATOM 584 C PRO A 37 53.940 43.258 16.125 1.00 0.00 C ATOM 585 O PRO A 37 54.160 42.936 17.290 1.00 0.00 O ATOM 586 CB PRO A 37 56.151 43.206 14.948 1.00 0.00 C ATOM 587 CG PRO A 37 57.377 44.101 15.099 1.00 0.00 C ATOM 588 CD PRO A 37 56.999 44.987 16.282 1.00 0.00 C ATOM 0 HA PRO A 37 54.469 44.543 14.543 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.230 42.313 15.569 1.00 0.00 H new ATOM 0 HB3 PRO A 37 56.027 42.869 13.919 1.00 0.00 H new ATOM 0 HG2 PRO A 37 58.279 43.522 15.298 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.565 44.686 14.199 1.00 0.00 H new ATOM 0 HD2 PRO A 37 57.301 44.531 17.225 1.00 0.00 H new ATOM 0 HD3 PRO A 37 57.497 45.955 16.221 1.00 0.00 H new ATOM 596 N PRO A 38 52.826 42.874 15.506 1.00 0.00 N ATOM 597 CA PRO A 38 51.741 42.195 16.186 1.00 0.00 C ATOM 598 C PRO A 38 52.091 40.836 16.792 1.00 0.00 C ATOM 599 O PRO A 38 51.437 40.454 17.761 1.00 0.00 O ATOM 600 CB PRO A 38 50.585 42.126 15.192 1.00 0.00 C ATOM 601 CG PRO A 38 51.259 42.267 13.830 1.00 0.00 C ATOM 602 CD PRO A 38 52.449 43.171 14.140 1.00 0.00 C ATOM 0 HA PRO A 38 51.471 42.766 17.074 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.044 41.183 15.274 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.863 42.924 15.364 1.00 0.00 H new ATOM 0 HG2 PRO A 38 51.575 41.303 13.432 1.00 0.00 H new ATOM 0 HG3 PRO A 38 50.592 42.713 13.092 1.00 0.00 H new ATOM 0 HD2 PRO A 38 53.275 42.978 13.456 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.181 44.222 14.028 1.00 0.00 H new ATOM 610 N ASP A 39 53.125 40.130 16.345 1.00 0.00 N ATOM 611 CA ASP A 39 53.598 38.931 17.007 1.00 0.00 C ATOM 612 C ASP A 39 54.419 39.229 18.262 1.00 0.00 C ATOM 613 O ASP A 39 54.484 38.404 19.171 1.00 0.00 O ATOM 614 CB ASP A 39 54.396 38.076 16.026 1.00 0.00 C ATOM 615 CG ASP A 39 54.842 36.750 16.647 1.00 0.00 C ATOM 616 OD1 ASP A 39 56.051 36.591 16.923 1.00 0.00 O ATOM 617 OD2 ASP A 39 53.992 35.851 16.829 1.00 0.00 O ATOM 0 H ASP A 39 53.656 40.379 15.511 1.00 0.00 H new ATOM 0 HA ASP A 39 52.720 38.378 17.341 1.00 0.00 H new ATOM 0 HB2 ASP A 39 53.789 37.876 15.143 1.00 0.00 H new ATOM 0 HB3 ASP A 39 55.272 38.632 15.691 1.00 0.00 H new ATOM 622 N GLN A 40 55.030 40.407 18.347 1.00 0.00 N ATOM 623 CA GLN A 40 55.823 40.851 19.476 1.00 0.00 C ATOM 624 C GLN A 40 55.004 41.639 20.501 1.00 0.00 C ATOM 625 O GLN A 40 55.392 41.709 21.666 1.00 0.00 O ATOM 626 CB GLN A 40 57.023 41.651 18.980 1.00 0.00 C ATOM 627 CG GLN A 40 58.337 41.157 19.580 1.00 0.00 C ATOM 628 CD GLN A 40 58.726 39.774 19.053 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.144 39.622 17.907 1.00 0.00 O ATOM 630 NE2 GLN A 40 58.618 38.724 19.861 1.00 0.00 N ATOM 0 H GLN A 40 54.981 41.100 17.601 1.00 0.00 H new ATOM 0 HA GLN A 40 56.180 39.965 20.001 1.00 0.00 H new ATOM 0 HB2 GLN A 40 57.076 41.587 17.893 1.00 0.00 H new ATOM 0 HB3 GLN A 40 56.884 42.703 19.231 1.00 0.00 H new ATOM 0 HG2 GLN A 40 59.130 41.868 19.350 1.00 0.00 H new ATOM 0 HG3 GLN A 40 58.248 41.119 20.666 1.00 0.00 H new ATOM 0 HE21 GLN A 40 58.272 38.846 20.813 1.00 0.00 H new ATOM 0 HE22 GLN A 40 58.882 37.796 19.529 1.00 0.00 H new ATOM 639 N GLN A 41 53.878 42.216 20.095 1.00 0.00 N ATOM 640 CA GLN A 41 52.854 42.705 20.997 1.00 0.00 C ATOM 641 C GLN A 41 52.249 41.557 21.809 1.00 0.00 C ATOM 642 O GLN A 41 52.031 40.477 21.264 1.00 0.00 O ATOM 643 CB GLN A 41 51.718 43.348 20.207 1.00 0.00 C ATOM 644 CG GLN A 41 52.037 44.647 19.473 1.00 0.00 C ATOM 645 CD GLN A 41 50.825 45.148 18.684 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.685 45.074 19.138 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.993 45.661 17.470 1.00 0.00 N ATOM 0 H GLN A 41 53.652 42.357 19.110 1.00 0.00 H new ATOM 0 HA GLN A 41 53.326 43.430 21.661 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.361 42.623 19.475 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.893 43.540 20.894 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.347 45.407 20.191 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.876 44.488 18.795 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.929 45.733 17.072 1.00 0.00 H new ATOM 0 HE22 GLN A 41 50.186 45.983 16.936 1.00 0.00 H new ATOM 656 N ARG A 42 51.839 41.814 23.047 1.00 0.00 N ATOM 657 CA ARG A 42 50.809 41.053 23.724 1.00 0.00 C ATOM 658 C ARG A 42 49.808 42.003 24.384 1.00 0.00 C ATOM 659 O ARG A 42 50.226 43.008 24.954 1.00 0.00 O ATOM 660 CB ARG A 42 51.429 40.078 24.721 1.00 0.00 C ATOM 661 CG ARG A 42 50.630 38.795 24.929 1.00 0.00 C ATOM 662 CD ARG A 42 50.768 37.856 23.733 1.00 0.00 C ATOM 663 NE ARG A 42 50.022 36.608 23.895 1.00 0.00 N ATOM 664 CZ ARG A 42 49.318 35.986 22.939 1.00 0.00 C ATOM 665 NH1 ARG A 42 49.264 36.451 21.684 1.00 0.00 N ATOM 666 NH2 ARG A 42 48.647 34.852 23.183 1.00 0.00 N ATOM 0 H ARG A 42 52.223 42.571 23.613 1.00 0.00 H new ATOM 0 HA ARG A 42 50.263 40.454 22.995 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.431 39.816 24.380 1.00 0.00 H new ATOM 0 HB3 ARG A 42 51.541 40.582 25.681 1.00 0.00 H new ATOM 0 HG2 ARG A 42 50.976 38.291 25.832 1.00 0.00 H new ATOM 0 HG3 ARG A 42 49.579 39.039 25.083 1.00 0.00 H new ATOM 0 HD2 ARG A 42 50.420 38.367 22.835 1.00 0.00 H new ATOM 0 HD3 ARG A 42 51.822 37.625 23.580 1.00 0.00 H new ATOM 0 HE ARG A 42 50.039 36.173 24.817 1.00 0.00 H new ATOM 0 HH11 ARG A 42 49.768 37.302 21.433 1.00 0.00 H new ATOM 0 HH12 ARG A 42 48.719 35.954 20.979 1.00 0.00 H new ATOM 0 HH21 ARG A 42 48.664 34.440 24.116 1.00 0.00 H new ATOM 0 HH22 ARG A 42 48.120 34.401 22.436 1.00 0.00 H new ATOM 680 N LEU A 43 48.516 41.696 24.298 1.00 0.00 N ATOM 681 CA LEU A 43 47.459 42.426 24.970 1.00 0.00 C ATOM 682 C LEU A 43 46.953 41.673 26.202 1.00 0.00 C ATOM 683 O LEU A 43 46.722 40.466 26.157 1.00 0.00 O ATOM 684 CB LEU A 43 46.323 42.756 24.007 1.00 0.00 C ATOM 685 CG LEU A 43 46.571 43.985 23.137 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.493 44.103 22.063 1.00 0.00 C ATOM 687 CD2 LEU A 43 46.535 45.282 23.939 1.00 0.00 C ATOM 0 H LEU A 43 48.173 40.912 23.743 1.00 0.00 H new ATOM 0 HA LEU A 43 47.878 43.369 25.320 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.151 41.896 23.359 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.410 42.911 24.581 1.00 0.00 H new ATOM 0 HG LEU A 43 47.561 43.849 22.702 1.00 0.00 H new ATOM 0 HD11 LEU A 43 45.684 44.984 21.451 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.508 43.214 21.433 1.00 0.00 H new ATOM 0 HD13 LEU A 43 44.516 44.195 22.537 1.00 0.00 H new ATOM 0 HD21 LEU A 43 46.717 46.126 23.274 1.00 0.00 H new ATOM 0 HD22 LEU A 43 45.557 45.393 24.407 1.00 0.00 H new ATOM 0 HD23 LEU A 43 47.305 45.255 24.710 1.00 0.00 H new ATOM 699 N ILE A 44 46.780 42.416 27.291 1.00 0.00 N ATOM 700 CA ILE A 44 46.399 41.939 28.605 1.00 0.00 C ATOM 701 C ILE A 44 45.159 42.686 29.100 1.00 0.00 C ATOM 702 O ILE A 44 45.094 43.911 29.033 1.00 0.00 O ATOM 703 CB ILE A 44 47.590 42.044 29.552 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.697 41.076 29.147 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.213 41.830 31.015 1.00 0.00 C ATOM 706 CD1 ILE A 44 50.038 41.304 29.841 1.00 0.00 C ATOM 0 H ILE A 44 46.911 43.427 27.272 1.00 0.00 H new ATOM 0 HA ILE A 44 46.122 40.886 28.560 1.00 0.00 H new ATOM 0 HB ILE A 44 47.956 43.067 29.464 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.365 40.059 29.356 1.00 0.00 H new ATOM 0 HG13 ILE A 44 48.846 41.147 28.070 1.00 0.00 H new ATOM 0 HG21 ILE A 44 48.104 41.917 31.637 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.485 42.583 31.317 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.781 40.837 31.138 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.760 40.568 29.488 1.00 0.00 H new ATOM 0 HD12 ILE A 44 50.400 42.306 29.612 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.912 41.201 30.919 1.00 0.00 H new ATOM 718 N PHE A 45 44.183 41.941 29.610 1.00 0.00 N ATOM 719 CA PHE A 45 42.927 42.422 30.151 1.00 0.00 C ATOM 720 C PHE A 45 42.483 41.540 31.319 1.00 0.00 C ATOM 721 O PHE A 45 42.724 40.334 31.305 1.00 0.00 O ATOM 722 CB PHE A 45 41.872 42.408 29.048 1.00 0.00 C ATOM 723 CG PHE A 45 40.483 42.798 29.493 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.223 44.101 29.933 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.451 41.852 29.486 1.00 0.00 C ATOM 726 CE1 PHE A 45 38.943 44.455 30.374 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.165 42.207 29.911 1.00 0.00 C ATOM 728 CZ PHE A 45 37.910 43.510 30.357 1.00 0.00 C ATOM 0 H PHE A 45 44.258 40.925 29.657 1.00 0.00 H new ATOM 0 HA PHE A 45 43.055 43.440 30.519 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.187 43.086 28.255 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.832 41.408 28.616 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.014 44.837 29.932 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.648 40.844 29.151 1.00 0.00 H new ATOM 0 HE1 PHE A 45 38.752 45.457 30.728 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.370 41.476 29.895 1.00 0.00 H new ATOM 0 HZ PHE A 45 36.919 43.785 30.687 1.00 0.00 H new ATOM 738 N ALA A 46 41.825 42.115 32.321 1.00 0.00 N ATOM 739 CA ALA A 46 41.312 41.415 33.482 1.00 0.00 C ATOM 740 C ALA A 46 42.307 40.432 34.103 1.00 0.00 C ATOM 741 O ALA A 46 41.963 39.307 34.460 1.00 0.00 O ATOM 742 CB ALA A 46 39.946 40.821 33.153 1.00 0.00 C ATOM 0 H ALA A 46 41.630 43.116 32.343 1.00 0.00 H new ATOM 0 HA ALA A 46 41.169 42.137 34.286 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.559 40.294 34.025 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.258 41.621 32.877 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.043 40.123 32.321 1.00 0.00 H new ATOM 748 N GLY A 47 43.563 40.853 34.224 1.00 0.00 N ATOM 749 CA GLY A 47 44.653 40.112 34.823 1.00 0.00 C ATOM 750 C GLY A 47 45.382 39.099 33.938 1.00 0.00 C ATOM 751 O GLY A 47 46.382 38.555 34.402 1.00 0.00 O ATOM 0 H GLY A 47 43.856 41.770 33.887 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.387 40.829 35.190 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.263 39.582 35.692 1.00 0.00 H new ATOM 755 N LYS A 48 44.959 38.836 32.705 1.00 0.00 N ATOM 756 CA LYS A 48 45.559 37.841 31.839 1.00 0.00 C ATOM 757 C LYS A 48 45.766 38.292 30.392 1.00 0.00 C ATOM 758 O LYS A 48 45.099 39.208 29.916 1.00 0.00 O ATOM 759 CB LYS A 48 44.773 36.534 31.908 1.00 0.00 C ATOM 760 CG LYS A 48 43.413 36.596 31.219 1.00 0.00 C ATOM 761 CD LYS A 48 42.631 35.289 31.307 1.00 0.00 C ATOM 762 CE LYS A 48 43.351 34.113 30.655 1.00 0.00 C ATOM 763 NZ LYS A 48 42.529 32.894 30.718 1.00 0.00 N ATOM 0 H LYS A 48 44.172 39.323 32.276 1.00 0.00 H new ATOM 0 HA LYS A 48 46.566 37.682 32.224 1.00 0.00 H new ATOM 0 HB2 LYS A 48 45.365 35.740 31.452 1.00 0.00 H new ATOM 0 HB3 LYS A 48 44.628 36.263 32.954 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.823 37.395 31.667 1.00 0.00 H new ATOM 0 HG3 LYS A 48 43.556 36.855 30.170 1.00 0.00 H new ATOM 0 HD2 LYS A 48 42.443 35.056 32.355 1.00 0.00 H new ATOM 0 HD3 LYS A 48 41.660 35.421 30.830 1.00 0.00 H new ATOM 0 HE2 LYS A 48 43.577 34.351 29.616 1.00 0.00 H new ATOM 0 HE3 LYS A 48 44.303 33.941 31.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 43.040 32.107 30.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 42.335 32.657 31.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 41.631 33.055 30.218 1.00 0.00 H new ATOM 777 N GLN A 49 46.671 37.622 29.684 1.00 0.00 N ATOM 778 CA GLN A 49 46.842 37.789 28.255 1.00 0.00 C ATOM 779 C GLN A 49 45.630 37.316 27.450 1.00 0.00 C ATOM 780 O GLN A 49 44.897 36.427 27.877 1.00 0.00 O ATOM 781 CB GLN A 49 48.118 37.101 27.778 1.00 0.00 C ATOM 782 CG GLN A 49 48.089 35.580 27.902 1.00 0.00 C ATOM 783 CD GLN A 49 49.295 34.899 27.253 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.121 35.507 26.576 1.00 0.00 O ATOM 785 NE2 GLN A 49 49.413 33.584 27.408 1.00 0.00 N ATOM 0 H GLN A 49 47.310 36.942 30.096 1.00 0.00 H new ATOM 0 HA GLN A 49 46.933 38.860 28.074 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.293 37.367 26.736 1.00 0.00 H new ATOM 0 HB3 GLN A 49 48.962 37.486 28.351 1.00 0.00 H new ATOM 0 HG2 GLN A 49 48.051 35.309 28.957 1.00 0.00 H new ATOM 0 HG3 GLN A 49 47.176 35.202 27.443 1.00 0.00 H new ATOM 0 HE21 GLN A 49 48.731 33.073 27.969 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.186 33.086 26.966 1.00 0.00 H new ATOM 794 N LEU A 50 45.459 37.868 26.253 1.00 0.00 N ATOM 795 CA LEU A 50 44.412 37.505 25.318 1.00 0.00 C ATOM 796 C LEU A 50 44.963 36.714 24.131 1.00 0.00 C ATOM 797 O LEU A 50 45.987 37.082 23.559 1.00 0.00 O ATOM 798 CB LEU A 50 43.688 38.770 24.862 1.00 0.00 C ATOM 799 CG LEU A 50 43.082 39.621 25.974 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.371 40.829 25.372 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.068 38.843 26.809 1.00 0.00 C ATOM 0 H LEU A 50 46.069 38.605 25.900 1.00 0.00 H new ATOM 0 HA LEU A 50 43.701 36.849 25.820 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.390 39.386 24.299 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.893 38.484 24.174 1.00 0.00 H new ATOM 0 HG LEU A 50 43.904 39.930 26.620 1.00 0.00 H new ATOM 0 HD11 LEU A 50 41.940 41.433 26.171 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.086 41.429 24.809 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.578 40.490 24.706 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.664 39.491 27.587 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.257 38.498 26.168 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.558 37.985 27.269 1.00 0.00 H new ATOM 813 N GLU A 51 44.255 35.659 23.738 1.00 0.00 N ATOM 814 CA GLU A 51 44.434 34.964 22.479 1.00 0.00 C ATOM 815 C GLU A 51 43.776 35.764 21.353 1.00 0.00 C ATOM 816 O GLU A 51 42.637 36.211 21.472 1.00 0.00 O ATOM 817 CB GLU A 51 43.892 33.543 22.605 1.00 0.00 C ATOM 818 CG GLU A 51 44.002 32.710 21.332 1.00 0.00 C ATOM 819 CD GLU A 51 43.645 31.244 21.587 1.00 0.00 C ATOM 820 OE1 GLU A 51 44.521 30.370 21.415 1.00 0.00 O ATOM 821 OE2 GLU A 51 42.484 30.951 21.945 1.00 0.00 O ATOM 0 H GLU A 51 43.516 35.255 24.312 1.00 0.00 H new ATOM 0 HA GLU A 51 45.492 34.881 22.228 1.00 0.00 H new ATOM 0 HB2 GLU A 51 44.428 33.033 23.406 1.00 0.00 H new ATOM 0 HB3 GLU A 51 42.845 33.592 22.903 1.00 0.00 H new ATOM 0 HG2 GLU A 51 43.339 33.119 20.570 1.00 0.00 H new ATOM 0 HG3 GLU A 51 45.017 32.775 20.940 1.00 0.00 H new ATOM 828 N ASP A 52 44.494 35.987 20.255 1.00 0.00 N ATOM 829 CA ASP A 52 44.271 37.152 19.425 1.00 0.00 C ATOM 830 C ASP A 52 43.112 37.020 18.436 1.00 0.00 C ATOM 831 O ASP A 52 42.449 38.011 18.134 1.00 0.00 O ATOM 832 CB ASP A 52 45.557 37.508 18.683 1.00 0.00 C ATOM 833 CG ASP A 52 46.797 37.447 19.577 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.072 38.423 20.308 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.511 36.423 19.531 1.00 0.00 O ATOM 0 H ASP A 52 45.236 35.370 19.925 1.00 0.00 H new ATOM 0 HA ASP A 52 43.981 37.952 20.106 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.687 36.825 17.843 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.464 38.511 18.267 1.00 0.00 H new ATOM 840 N GLY A 53 42.814 35.818 17.953 1.00 0.00 N ATOM 841 CA GLY A 53 41.791 35.590 16.952 1.00 0.00 C ATOM 842 C GLY A 53 40.345 35.729 17.435 1.00 0.00 C ATOM 843 O GLY A 53 39.442 35.347 16.694 1.00 0.00 O ATOM 0 H GLY A 53 43.287 34.966 18.254 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.949 36.290 16.132 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.924 34.587 16.545 1.00 0.00 H new ATOM 847 N ARG A 54 40.119 36.204 18.656 1.00 0.00 N ATOM 848 CA ARG A 54 38.833 36.279 19.320 1.00 0.00 C ATOM 849 C ARG A 54 38.241 37.689 19.281 1.00 0.00 C ATOM 850 O ARG A 54 38.985 38.668 19.268 1.00 0.00 O ATOM 851 CB ARG A 54 38.940 35.773 20.755 1.00 0.00 C ATOM 852 CG ARG A 54 38.973 34.257 20.928 1.00 0.00 C ATOM 853 CD ARG A 54 40.175 33.612 20.244 1.00 0.00 C ATOM 854 NE ARG A 54 40.363 32.221 20.656 1.00 0.00 N ATOM 855 CZ ARG A 54 39.736 31.136 20.181 1.00 0.00 C ATOM 856 NH1 ARG A 54 38.689 31.161 19.346 1.00 0.00 N ATOM 857 NH2 ARG A 54 40.179 29.927 20.553 1.00 0.00 N ATOM 0 H ARG A 54 40.875 36.566 19.237 1.00 0.00 H new ATOM 0 HA ARG A 54 38.148 35.633 18.771 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.844 36.190 21.200 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.096 36.165 21.322 1.00 0.00 H new ATOM 0 HG2 ARG A 54 38.993 34.017 21.991 1.00 0.00 H new ATOM 0 HG3 ARG A 54 38.056 33.829 20.522 1.00 0.00 H new ATOM 0 HD2 ARG A 54 40.042 33.654 19.163 1.00 0.00 H new ATOM 0 HD3 ARG A 54 41.074 34.183 20.477 1.00 0.00 H new ATOM 0 HE ARG A 54 41.052 32.058 21.391 1.00 0.00 H new ATOM 0 HH11 ARG A 54 38.313 32.054 19.026 1.00 0.00 H new ATOM 0 HH12 ARG A 54 38.268 30.287 19.030 1.00 0.00 H new ATOM 0 HH21 ARG A 54 40.976 29.848 21.184 1.00 0.00 H new ATOM 0 HH22 ARG A 54 39.719 29.086 20.205 1.00 0.00 H new ATOM 871 N THR A 55 36.915 37.796 19.289 1.00 0.00 N ATOM 872 CA THR A 55 36.226 39.065 19.412 1.00 0.00 C ATOM 873 C THR A 55 36.354 39.687 20.805 1.00 0.00 C ATOM 874 O THR A 55 36.502 38.990 21.806 1.00 0.00 O ATOM 875 CB THR A 55 34.752 39.011 19.023 1.00 0.00 C ATOM 876 OG1 THR A 55 34.048 38.031 19.753 1.00 0.00 O ATOM 877 CG2 THR A 55 34.560 38.739 17.534 1.00 0.00 C ATOM 0 H THR A 55 36.289 36.995 19.209 1.00 0.00 H new ATOM 0 HA THR A 55 36.740 39.702 18.692 1.00 0.00 H new ATOM 0 HB THR A 55 34.351 39.996 19.262 1.00 0.00 H new ATOM 0 HG1 THR A 55 33.198 38.405 20.067 1.00 0.00 H new ATOM 0 HG21 THR A 55 33.495 38.709 17.304 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.034 39.532 16.955 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.013 37.781 17.278 1.00 0.00 H new ATOM 885 N LEU A 56 36.226 41.008 20.878 1.00 0.00 N ATOM 886 CA LEU A 56 36.138 41.717 22.139 1.00 0.00 C ATOM 887 C LEU A 56 34.919 41.274 22.950 1.00 0.00 C ATOM 888 O LEU A 56 35.011 41.178 24.172 1.00 0.00 O ATOM 889 CB LEU A 56 36.127 43.222 21.889 1.00 0.00 C ATOM 890 CG LEU A 56 37.498 43.858 21.675 1.00 0.00 C ATOM 891 CD1 LEU A 56 38.107 43.574 20.305 1.00 0.00 C ATOM 892 CD2 LEU A 56 37.391 45.375 21.799 1.00 0.00 C ATOM 0 H LEU A 56 36.181 41.614 20.059 1.00 0.00 H new ATOM 0 HA LEU A 56 37.017 41.471 22.735 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.511 43.424 21.013 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.646 43.711 22.736 1.00 0.00 H new ATOM 0 HG LEU A 56 38.140 43.417 22.438 1.00 0.00 H new ATOM 0 HD11 LEU A 56 39.080 44.060 20.231 1.00 0.00 H new ATOM 0 HD12 LEU A 56 38.228 42.498 20.177 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.449 43.960 19.527 1.00 0.00 H new ATOM 0 HD21 LEU A 56 38.373 45.823 21.645 1.00 0.00 H new ATOM 0 HD22 LEU A 56 36.698 45.753 21.048 1.00 0.00 H new ATOM 0 HD23 LEU A 56 37.026 45.634 22.793 1.00 0.00 H new ATOM 904 N SER A 57 33.819 40.926 22.289 1.00 0.00 N ATOM 905 CA SER A 57 32.638 40.342 22.891 1.00 0.00 C ATOM 906 C SER A 57 32.897 38.997 23.572 1.00 0.00 C ATOM 907 O SER A 57 32.374 38.763 24.659 1.00 0.00 O ATOM 908 CB SER A 57 31.524 40.189 21.860 1.00 0.00 C ATOM 909 OG SER A 57 31.926 39.415 20.751 1.00 0.00 O ATOM 0 H SER A 57 33.728 41.050 21.281 1.00 0.00 H new ATOM 0 HA SER A 57 32.331 41.038 23.671 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.658 39.724 22.330 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.210 41.175 21.518 1.00 0.00 H new ATOM 0 HG SER A 57 31.183 39.341 20.117 1.00 0.00 H new ATOM 915 N ASP A 58 33.753 38.140 23.023 1.00 0.00 N ATOM 916 CA ASP A 58 34.055 36.845 23.601 1.00 0.00 C ATOM 917 C ASP A 58 34.863 36.946 24.896 1.00 0.00 C ATOM 918 O ASP A 58 34.839 36.036 25.722 1.00 0.00 O ATOM 919 CB ASP A 58 34.756 35.972 22.564 1.00 0.00 C ATOM 920 CG ASP A 58 34.696 34.488 22.932 1.00 0.00 C ATOM 921 OD1 ASP A 58 35.756 33.827 22.958 1.00 0.00 O ATOM 922 OD2 ASP A 58 33.583 33.971 23.168 1.00 0.00 O ATOM 0 H ASP A 58 34.258 38.331 22.158 1.00 0.00 H new ATOM 0 HA ASP A 58 33.112 36.376 23.881 1.00 0.00 H new ATOM 0 HB2 ASP A 58 34.292 36.123 21.589 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.797 36.282 22.473 1.00 0.00 H new ATOM 927 N TYR A 59 35.513 38.082 25.132 1.00 0.00 N ATOM 928 CA TYR A 59 36.168 38.443 26.372 1.00 0.00 C ATOM 929 C TYR A 59 35.348 39.381 27.260 1.00 0.00 C ATOM 930 O TYR A 59 35.818 39.745 28.335 1.00 0.00 O ATOM 931 CB TYR A 59 37.529 39.054 26.052 1.00 0.00 C ATOM 932 CG TYR A 59 38.509 38.112 25.393 1.00 0.00 C ATOM 933 CD1 TYR A 59 38.919 36.960 26.076 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.046 38.415 24.137 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.865 36.100 25.504 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.008 37.574 23.563 1.00 0.00 C ATOM 937 CZ TYR A 59 40.406 36.405 24.240 1.00 0.00 C ATOM 938 OH TYR A 59 41.318 35.554 23.688 1.00 0.00 O ATOM 0 H TYR A 59 35.598 38.809 24.422 1.00 0.00 H new ATOM 0 HA TYR A 59 36.283 37.528 26.953 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.380 39.915 25.400 1.00 0.00 H new ATOM 0 HB3 TYR A 59 37.970 39.426 26.976 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.504 36.734 27.047 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.718 39.299 23.609 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.177 35.209 26.029 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.443 37.821 22.606 1.00 0.00 H new ATOM 0 HH TYR A 59 41.775 36.001 22.946 1.00 0.00 H new ATOM 948 N ASN A 60 34.142 39.769 26.851 1.00 0.00 N ATOM 949 CA ASN A 60 33.301 40.727 27.540 1.00 0.00 C ATOM 950 C ASN A 60 33.971 42.083 27.774 1.00 0.00 C ATOM 951 O ASN A 60 33.764 42.722 28.802 1.00 0.00 O ATOM 952 CB ASN A 60 32.688 40.062 28.768 1.00 0.00 C ATOM 953 CG ASN A 60 31.457 40.792 29.310 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.490 41.449 30.348 1.00 0.00 O ATOM 955 ND2 ASN A 60 30.314 40.679 28.639 1.00 0.00 N ATOM 0 H ASN A 60 33.714 39.408 25.999 1.00 0.00 H new ATOM 0 HA ASN A 60 32.472 41.011 26.891 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.411 39.038 28.516 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.441 40.005 29.554 1.00 0.00 H new ATOM 0 HD21 ASN A 60 29.471 41.136 28.987 1.00 0.00 H new ATOM 0 HD22 ASN A 60 30.280 40.135 27.777 1.00 0.00 H new ATOM 962 N ILE A 61 34.794 42.540 26.835 1.00 0.00 N ATOM 963 CA ILE A 61 35.460 43.826 26.886 1.00 0.00 C ATOM 964 C ILE A 61 34.413 44.893 26.555 1.00 0.00 C ATOM 965 O ILE A 61 34.083 45.106 25.390 1.00 0.00 O ATOM 966 CB ILE A 61 36.676 43.836 25.963 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.740 42.867 26.467 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.292 45.227 25.838 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.802 42.515 25.429 1.00 0.00 C ATOM 0 H ILE A 61 35.019 42.006 25.996 1.00 0.00 H new ATOM 0 HA ILE A 61 35.862 44.039 27.877 1.00 0.00 H new ATOM 0 HB ILE A 61 36.324 43.526 24.979 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.229 43.302 27.339 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.253 41.950 26.799 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.154 45.185 25.172 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.553 45.917 25.432 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.610 45.574 26.821 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.521 41.822 25.865 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.327 42.049 24.566 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.318 43.422 25.114 1.00 0.00 H new ATOM 981 N GLN A 62 33.825 45.494 27.585 1.00 0.00 N ATOM 982 CA GLN A 62 32.673 46.371 27.523 1.00 0.00 C ATOM 983 C GLN A 62 33.009 47.812 27.911 1.00 0.00 C ATOM 984 O GLN A 62 34.020 48.058 28.565 1.00 0.00 O ATOM 985 CB GLN A 62 31.595 45.809 28.445 1.00 0.00 C ATOM 986 CG GLN A 62 30.822 44.635 27.849 1.00 0.00 C ATOM 987 CD GLN A 62 29.750 45.110 26.866 1.00 0.00 C ATOM 988 OE1 GLN A 62 29.978 45.274 25.670 1.00 0.00 O ATOM 989 NE2 GLN A 62 28.546 45.422 27.339 1.00 0.00 N ATOM 0 H GLN A 62 34.164 45.371 28.539 1.00 0.00 H new ATOM 0 HA GLN A 62 32.320 46.407 26.492 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.059 45.490 29.378 1.00 0.00 H new ATOM 0 HB3 GLN A 62 30.893 46.605 28.694 1.00 0.00 H new ATOM 0 HG2 GLN A 62 31.513 43.964 27.339 1.00 0.00 H new ATOM 0 HG3 GLN A 62 30.355 44.062 28.650 1.00 0.00 H new ATOM 0 HE21 GLN A 62 28.338 45.293 28.329 1.00 0.00 H new ATOM 0 HE22 GLN A 62 27.831 45.790 26.711 1.00 0.00 H new ATOM 998 N LYS A 63 32.112 48.738 27.582 1.00 0.00 N ATOM 999 CA LYS A 63 32.040 50.106 28.054 1.00 0.00 C ATOM 1000 C LYS A 63 33.297 50.948 27.827 1.00 0.00 C ATOM 1001 O LYS A 63 33.411 51.556 26.764 1.00 0.00 O ATOM 1002 CB LYS A 63 31.490 50.171 29.477 1.00 0.00 C ATOM 1003 CG LYS A 63 30.011 49.801 29.547 1.00 0.00 C ATOM 1004 CD LYS A 63 29.481 49.809 30.978 1.00 0.00 C ATOM 1005 CE LYS A 63 27.967 49.623 30.917 1.00 0.00 C ATOM 1006 NZ LYS A 63 27.371 49.359 32.236 1.00 0.00 N ATOM 0 H LYS A 63 31.360 48.528 26.926 1.00 0.00 H new ATOM 0 HA LYS A 63 31.317 50.603 27.407 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.061 49.497 30.115 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.629 51.178 29.872 1.00 0.00 H new ATOM 0 HG2 LYS A 63 29.434 50.502 28.944 1.00 0.00 H new ATOM 0 HG3 LYS A 63 29.865 48.812 29.113 1.00 0.00 H new ATOM 0 HD2 LYS A 63 29.941 49.010 31.560 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.731 50.748 31.472 1.00 0.00 H new ATOM 0 HE2 LYS A 63 27.513 50.517 30.491 1.00 0.00 H new ATOM 0 HE3 LYS A 63 27.734 48.796 30.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 26.343 49.241 32.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 27.781 48.491 32.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 27.567 50.158 32.872 1.00 0.00 H new ATOM 1020 N GLU A 64 34.204 51.022 28.796 1.00 0.00 N ATOM 1021 CA GLU A 64 35.406 51.830 28.773 1.00 0.00 C ATOM 1022 C GLU A 64 36.593 51.064 29.362 1.00 0.00 C ATOM 1023 O GLU A 64 37.408 51.599 30.110 1.00 0.00 O ATOM 1024 CB GLU A 64 35.161 53.170 29.461 1.00 0.00 C ATOM 1025 CG GLU A 64 34.220 54.058 28.654 1.00 0.00 C ATOM 1026 CD GLU A 64 34.086 55.439 29.301 1.00 0.00 C ATOM 1027 OE1 GLU A 64 34.656 56.415 28.769 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.378 55.551 30.324 1.00 0.00 O ATOM 0 H GLU A 64 34.110 50.490 29.661 1.00 0.00 H new ATOM 0 HA GLU A 64 35.667 52.049 27.738 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.739 52.998 30.451 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.111 53.684 29.605 1.00 0.00 H new ATOM 0 HG2 GLU A 64 34.596 54.163 27.636 1.00 0.00 H new ATOM 0 HG3 GLU A 64 33.239 53.587 28.584 1.00 0.00 H new ATOM 1035 N SER A 65 36.663 49.778 29.030 1.00 0.00 N ATOM 1036 CA SER A 65 37.694 48.856 29.463 1.00 0.00 C ATOM 1037 C SER A 65 39.109 49.388 29.233 1.00 0.00 C ATOM 1038 O SER A 65 39.399 49.954 28.181 1.00 0.00 O ATOM 1039 CB SER A 65 37.563 47.536 28.711 1.00 0.00 C ATOM 1040 OG SER A 65 36.385 46.852 29.078 1.00 0.00 O ATOM 0 H SER A 65 35.970 49.337 28.426 1.00 0.00 H new ATOM 0 HA SER A 65 37.548 48.721 30.535 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.557 47.726 27.638 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.430 46.909 28.919 1.00 0.00 H new ATOM 0 HG SER A 65 35.610 47.433 28.929 1.00 0.00 H new ATOM 1046 N THR A 66 40.000 49.133 30.187 1.00 0.00 N ATOM 1047 CA THR A 66 41.413 49.444 30.092 1.00 0.00 C ATOM 1048 C THR A 66 42.263 48.174 30.022 1.00 0.00 C ATOM 1049 O THR A 66 41.995 47.189 30.706 1.00 0.00 O ATOM 1050 CB THR A 66 41.856 50.418 31.180 1.00 0.00 C ATOM 1051 OG1 THR A 66 43.107 50.974 30.840 1.00 0.00 O ATOM 1052 CG2 THR A 66 41.996 49.828 32.581 1.00 0.00 C ATOM 0 H THR A 66 39.746 48.692 31.071 1.00 0.00 H new ATOM 0 HA THR A 66 41.578 49.967 29.150 1.00 0.00 H new ATOM 0 HB THR A 66 41.053 51.154 31.222 1.00 0.00 H new ATOM 0 HG1 THR A 66 43.388 51.600 31.540 1.00 0.00 H new ATOM 0 HG21 THR A 66 42.315 50.607 33.274 1.00 0.00 H new ATOM 0 HG22 THR A 66 41.036 49.426 32.904 1.00 0.00 H new ATOM 0 HG23 THR A 66 42.737 49.029 32.567 1.00 0.00 H new ATOM 1060 N LEU A 67 43.269 48.185 29.153 1.00 0.00 N ATOM 1061 CA LEU A 67 44.144 47.075 28.831 1.00 0.00 C ATOM 1062 C LEU A 67 45.611 47.470 29.005 1.00 0.00 C ATOM 1063 O LEU A 67 45.947 48.652 29.016 1.00 0.00 O ATOM 1064 CB LEU A 67 43.884 46.600 27.405 1.00 0.00 C ATOM 1065 CG LEU A 67 42.542 45.920 27.154 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.423 46.884 26.772 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.669 44.924 26.005 1.00 0.00 C ATOM 0 H LEU A 67 43.505 49.025 28.624 1.00 0.00 H new ATOM 0 HA LEU A 67 43.931 46.257 29.519 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.962 47.459 26.739 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.677 45.906 27.125 1.00 0.00 H new ATOM 0 HG LEU A 67 42.283 45.441 28.099 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.501 46.325 26.610 1.00 0.00 H new ATOM 0 HD12 LEU A 67 41.274 47.605 27.576 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.693 47.411 25.857 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.706 44.443 25.832 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.980 45.449 25.101 1.00 0.00 H new ATOM 0 HD23 LEU A 67 43.412 44.168 26.259 1.00 0.00 H new ATOM 1079 N HIS A 68 46.505 46.487 29.074 1.00 0.00 N ATOM 1080 CA HIS A 68 47.939 46.684 28.993 1.00 0.00 C ATOM 1081 C HIS A 68 48.488 46.091 27.694 1.00 0.00 C ATOM 1082 O HIS A 68 48.096 44.997 27.293 1.00 0.00 O ATOM 1083 CB HIS A 68 48.629 46.114 30.229 1.00 0.00 C ATOM 1084 CG HIS A 68 48.223 46.803 31.503 1.00 0.00 C ATOM 1085 ND1 HIS A 68 47.099 46.500 32.271 1.00 0.00 N ATOM 1086 CD2 HIS A 68 48.868 47.871 32.069 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.062 47.408 33.249 1.00 0.00 C ATOM 1088 NE2 HIS A 68 48.111 48.243 33.163 1.00 0.00 N ATOM 0 H HIS A 68 46.240 45.509 29.191 1.00 0.00 H new ATOM 0 HA HIS A 68 48.151 47.753 28.973 1.00 0.00 H new ATOM 0 HB2 HIS A 68 48.399 45.052 30.309 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.709 46.198 30.106 1.00 0.00 H new ATOM 0 HD2 HIS A 68 49.784 48.330 31.728 1.00 0.00 H new ATOM 0 HE1 HIS A 68 46.294 47.464 34.006 1.00 0.00 H new ATOM 0 HE2 HIS A 68 48.313 49.017 33.796 1.00 0.00 H new ATOM 1096 N LEU A 69 49.400 46.810 27.047 1.00 0.00 N ATOM 1097 CA LEU A 69 50.100 46.404 25.845 1.00 0.00 C ATOM 1098 C LEU A 69 51.598 46.340 26.152 1.00 0.00 C ATOM 1099 O LEU A 69 52.191 47.340 26.550 1.00 0.00 O ATOM 1100 CB LEU A 69 49.745 47.377 24.725 1.00 0.00 C ATOM 1101 CG LEU A 69 50.350 47.196 23.337 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.784 47.701 23.202 1.00 0.00 C ATOM 1103 CD2 LEU A 69 50.288 45.757 22.832 1.00 0.00 C ATOM 0 H LEU A 69 49.681 47.737 27.367 1.00 0.00 H new ATOM 0 HA LEU A 69 49.802 45.411 25.510 1.00 0.00 H new ATOM 0 HB2 LEU A 69 48.661 47.358 24.611 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.012 48.377 25.067 1.00 0.00 H new ATOM 0 HG LEU A 69 49.712 47.822 22.713 1.00 0.00 H new ATOM 0 HD11 LEU A 69 52.135 47.533 22.184 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.817 48.767 23.426 1.00 0.00 H new ATOM 0 HD13 LEU A 69 52.426 47.164 23.900 1.00 0.00 H new ATOM 0 HD21 LEU A 69 50.735 45.700 21.840 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.836 45.108 23.515 1.00 0.00 H new ATOM 0 HD23 LEU A 69 49.248 45.434 22.780 1.00 0.00 H new ATOM 1115 N VAL A 70 52.190 45.161 25.986 1.00 0.00 N ATOM 1116 CA VAL A 70 53.571 44.871 26.316 1.00 0.00 C ATOM 1117 C VAL A 70 54.336 44.318 25.113 1.00 0.00 C ATOM 1118 O VAL A 70 53.749 43.739 24.201 1.00 0.00 O ATOM 1119 CB VAL A 70 53.677 43.935 27.516 1.00 0.00 C ATOM 1120 CG1 VAL A 70 53.124 44.588 28.779 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.984 42.590 27.315 1.00 0.00 C ATOM 0 H VAL A 70 51.697 44.354 25.603 1.00 0.00 H new ATOM 0 HA VAL A 70 54.038 45.816 26.594 1.00 0.00 H new ATOM 0 HB VAL A 70 54.744 43.742 27.625 1.00 0.00 H new ATOM 0 HG11 VAL A 70 53.214 43.896 29.616 1.00 0.00 H new ATOM 0 HG12 VAL A 70 53.688 45.495 28.996 1.00 0.00 H new ATOM 0 HG13 VAL A 70 52.074 44.841 28.628 1.00 0.00 H new ATOM 0 HG21 VAL A 70 53.104 41.981 28.211 1.00 0.00 H new ATOM 0 HG22 VAL A 70 51.923 42.752 27.126 1.00 0.00 H new ATOM 0 HG23 VAL A 70 53.430 42.075 26.464 1.00 0.00 H new