USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot -55:sc= 0.986 USER MOD Set 1.2: A 57 SER OG : rot 35:sc= 0.101 USER MOD Set 2.1: A 7 THR OG1 : rot 118:sc= 1.23 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.576 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0.44 K(o=0.44,f=-7.9!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 168:sc= 1.21 (180deg=0.99) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0322 USER MOD Single : A 25 ASN : amide:sc= 0.919 K(o=0.92,f=-0.11) USER MOD Single : A 27 LYS NZ :NH3+ 156:sc= 1.03 (180deg=0.112) USER MOD Single : A 29 LYS NZ :NH3+ -166:sc= 1.19 (180deg=0.838) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 33 LYS NZ :NH3+ -170:sc= 2.36 (180deg=2.12) USER MOD Single : A 40 GLN : amide:sc=-0.00525 K(o=-0.0053,f=-3.2!) USER MOD Single : A 41 GLN : amide:sc= 0.12 K(o=0.12,f=-1.7) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -2.44! K(o=-2.4!,f=-0.097) USER MOD Single : A 59 TYR OH : rot -4:sc= 0.263 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 62 GLN : amide:sc= -0.0333 X(o=-0.033,f=-0.02) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 39:sc= 0.157 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.824 31.932 15.680 1.00 0.00 N ATOM 2 CA MET A 1 14.046 31.260 16.976 1.00 0.00 C ATOM 3 C MET A 1 15.482 31.539 17.412 1.00 0.00 C ATOM 4 O MET A 1 16.417 31.234 16.670 1.00 0.00 O ATOM 5 CB MET A 1 13.808 29.756 16.861 1.00 0.00 C ATOM 6 CG MET A 1 13.366 28.974 18.106 1.00 0.00 C ATOM 7 SD MET A 1 14.756 28.695 19.221 1.00 0.00 S ATOM 8 CE MET A 1 14.891 26.887 19.190 1.00 0.00 C ATOM 0 H1 MET A 1 12.850 31.757 15.360 1.00 0.00 H new ATOM 0 H2 MET A 1 13.974 32.955 15.789 1.00 0.00 H new ATOM 0 H3 MET A 1 14.492 31.558 14.976 1.00 0.00 H new ATOM 0 HA MET A 1 13.343 31.644 17.715 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.053 29.601 16.090 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.731 29.304 16.499 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.582 29.525 18.627 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.938 28.017 17.806 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.711 26.572 19.836 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.959 26.446 19.545 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.084 26.554 18.170 1.00 0.00 H new ATOM 20 N GLN A 2 15.651 32.214 18.554 1.00 0.00 N ATOM 21 CA GLN A 2 16.911 32.554 19.174 1.00 0.00 C ATOM 22 C GLN A 2 17.112 31.622 20.379 1.00 0.00 C ATOM 23 O GLN A 2 16.256 31.485 21.239 1.00 0.00 O ATOM 24 CB GLN A 2 16.952 34.023 19.612 1.00 0.00 C ATOM 25 CG GLN A 2 15.925 34.477 20.647 1.00 0.00 C ATOM 26 CD GLN A 2 14.579 34.952 20.119 1.00 0.00 C ATOM 27 OE1 GLN A 2 14.041 34.263 19.255 1.00 0.00 O ATOM 28 NE2 GLN A 2 13.891 35.914 20.725 1.00 0.00 N ATOM 0 H GLN A 2 14.855 32.553 19.094 1.00 0.00 H new ATOM 0 HA GLN A 2 17.717 32.423 18.452 1.00 0.00 H new ATOM 0 HB2 GLN A 2 17.945 34.228 20.011 1.00 0.00 H new ATOM 0 HB3 GLN A 2 16.831 34.643 18.724 1.00 0.00 H new ATOM 0 HG2 GLN A 2 15.747 33.650 21.334 1.00 0.00 H new ATOM 0 HG3 GLN A 2 16.365 35.286 21.230 1.00 0.00 H new ATOM 0 HE21 GLN A 2 14.337 36.486 21.442 1.00 0.00 H new ATOM 0 HE22 GLN A 2 12.917 36.080 20.473 1.00 0.00 H new ATOM 37 N ILE A 3 18.364 31.198 20.544 1.00 0.00 N ATOM 38 CA ILE A 3 18.958 30.569 21.700 1.00 0.00 C ATOM 39 C ILE A 3 20.176 31.410 22.077 1.00 0.00 C ATOM 40 O ILE A 3 20.755 32.069 21.221 1.00 0.00 O ATOM 41 CB ILE A 3 19.310 29.111 21.399 1.00 0.00 C ATOM 42 CG1 ILE A 3 20.281 28.969 20.232 1.00 0.00 C ATOM 43 CG2 ILE A 3 18.093 28.190 21.258 1.00 0.00 C ATOM 44 CD1 ILE A 3 20.930 27.585 20.100 1.00 0.00 C ATOM 0 H ILE A 3 19.046 31.301 19.792 1.00 0.00 H new ATOM 0 HA ILE A 3 18.267 30.532 22.542 1.00 0.00 H new ATOM 0 HB ILE A 3 19.832 28.762 22.290 1.00 0.00 H new ATOM 0 HG12 ILE A 3 19.751 29.196 19.307 1.00 0.00 H new ATOM 0 HG13 ILE A 3 21.068 29.715 20.340 1.00 0.00 H new ATOM 0 HG21 ILE A 3 18.428 27.175 21.045 1.00 0.00 H new ATOM 0 HG22 ILE A 3 17.522 28.197 22.186 1.00 0.00 H new ATOM 0 HG23 ILE A 3 17.462 28.543 20.442 1.00 0.00 H new ATOM 0 HD11 ILE A 3 21.604 27.579 19.243 1.00 0.00 H new ATOM 0 HD12 ILE A 3 21.493 27.359 21.006 1.00 0.00 H new ATOM 0 HD13 ILE A 3 20.155 26.832 19.957 1.00 0.00 H new ATOM 56 N PHE A 4 20.519 31.395 23.363 1.00 0.00 N ATOM 57 CA PHE A 4 21.786 31.953 23.777 1.00 0.00 C ATOM 58 C PHE A 4 22.907 30.917 23.845 1.00 0.00 C ATOM 59 O PHE A 4 22.703 29.736 24.136 1.00 0.00 O ATOM 60 CB PHE A 4 21.738 32.426 25.238 1.00 0.00 C ATOM 61 CG PHE A 4 20.941 33.675 25.509 1.00 0.00 C ATOM 62 CD1 PHE A 4 21.422 34.904 25.057 1.00 0.00 C ATOM 63 CD2 PHE A 4 19.726 33.558 26.203 1.00 0.00 C ATOM 64 CE1 PHE A 4 20.616 36.048 25.161 1.00 0.00 C ATOM 65 CE2 PHE A 4 19.029 34.740 26.482 1.00 0.00 C ATOM 66 CZ PHE A 4 19.388 35.925 25.827 1.00 0.00 C ATOM 0 H PHE A 4 19.947 31.010 24.115 1.00 0.00 H new ATOM 0 HA PHE A 4 21.967 32.737 23.042 1.00 0.00 H new ATOM 0 HB2 PHE A 4 21.327 31.620 25.845 1.00 0.00 H new ATOM 0 HB3 PHE A 4 22.760 32.592 25.578 1.00 0.00 H new ATOM 0 HD1 PHE A 4 22.411 34.975 24.629 1.00 0.00 H new ATOM 0 HD2 PHE A 4 19.344 32.595 26.509 1.00 0.00 H new ATOM 0 HE1 PHE A 4 20.931 36.992 24.742 1.00 0.00 H new ATOM 0 HE2 PHE A 4 18.220 34.738 27.197 1.00 0.00 H new ATOM 0 HZ PHE A 4 18.705 36.761 25.835 1.00 0.00 H new ATOM 76 N VAL A 5 24.152 31.318 23.644 1.00 0.00 N ATOM 77 CA VAL A 5 25.382 30.587 23.898 1.00 0.00 C ATOM 78 C VAL A 5 26.198 31.406 24.914 1.00 0.00 C ATOM 79 O VAL A 5 26.075 32.626 24.797 1.00 0.00 O ATOM 80 CB VAL A 5 26.029 30.254 22.562 1.00 0.00 C ATOM 81 CG1 VAL A 5 27.306 29.421 22.694 1.00 0.00 C ATOM 82 CG2 VAL A 5 25.066 29.407 21.719 1.00 0.00 C ATOM 0 H VAL A 5 24.344 32.246 23.265 1.00 0.00 H new ATOM 0 HA VAL A 5 25.252 29.612 24.367 1.00 0.00 H new ATOM 0 HB VAL A 5 26.268 31.215 22.107 1.00 0.00 H new ATOM 0 HG11 VAL A 5 27.714 29.221 21.703 1.00 0.00 H new ATOM 0 HG12 VAL A 5 28.040 29.971 23.284 1.00 0.00 H new ATOM 0 HG13 VAL A 5 27.076 28.478 23.189 1.00 0.00 H new ATOM 0 HG21 VAL A 5 25.532 29.170 20.763 1.00 0.00 H new ATOM 0 HG22 VAL A 5 24.835 28.483 22.249 1.00 0.00 H new ATOM 0 HG23 VAL A 5 24.146 29.966 21.546 1.00 0.00 H new ATOM 92 N LYS A 6 26.906 30.727 25.800 1.00 0.00 N ATOM 93 CA LYS A 6 27.878 31.366 26.673 1.00 0.00 C ATOM 94 C LYS A 6 29.299 30.813 26.696 1.00 0.00 C ATOM 95 O LYS A 6 29.488 29.656 27.061 1.00 0.00 O ATOM 96 CB LYS A 6 27.249 31.595 28.053 1.00 0.00 C ATOM 97 CG LYS A 6 27.863 32.639 28.978 1.00 0.00 C ATOM 98 CD LYS A 6 27.300 32.627 30.396 1.00 0.00 C ATOM 99 CE LYS A 6 27.949 33.647 31.331 1.00 0.00 C ATOM 100 NZ LYS A 6 27.148 33.999 32.519 1.00 0.00 N ATOM 0 H LYS A 6 26.824 29.719 25.935 1.00 0.00 H new ATOM 0 HA LYS A 6 28.094 32.328 26.209 1.00 0.00 H new ATOM 0 HB2 LYS A 6 26.204 31.865 27.898 1.00 0.00 H new ATOM 0 HB3 LYS A 6 27.257 30.641 28.581 1.00 0.00 H new ATOM 0 HG2 LYS A 6 28.940 32.478 29.025 1.00 0.00 H new ATOM 0 HG3 LYS A 6 27.707 33.627 28.546 1.00 0.00 H new ATOM 0 HD2 LYS A 6 26.228 32.820 30.352 1.00 0.00 H new ATOM 0 HD3 LYS A 6 27.427 31.630 30.818 1.00 0.00 H new ATOM 0 HE2 LYS A 6 28.910 33.254 31.662 1.00 0.00 H new ATOM 0 HE3 LYS A 6 28.154 34.557 30.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 27.666 34.695 33.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 26.240 34.406 32.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 26.973 33.144 33.085 1.00 0.00 H new ATOM 114 N THR A 7 30.296 31.669 26.496 1.00 0.00 N ATOM 115 CA THR A 7 31.694 31.364 26.260 1.00 0.00 C ATOM 116 C THR A 7 32.437 31.103 27.568 1.00 0.00 C ATOM 117 O THR A 7 31.967 31.397 28.666 1.00 0.00 O ATOM 118 CB THR A 7 32.350 32.542 25.542 1.00 0.00 C ATOM 119 OG1 THR A 7 32.399 33.685 26.353 1.00 0.00 O ATOM 120 CG2 THR A 7 31.725 32.770 24.165 1.00 0.00 C ATOM 0 H THR A 7 30.128 32.675 26.496 1.00 0.00 H new ATOM 0 HA THR A 7 31.747 30.463 25.649 1.00 0.00 H new ATOM 0 HB THR A 7 33.393 32.291 25.350 1.00 0.00 H new ATOM 0 HG1 THR A 7 33.333 33.936 26.508 1.00 0.00 H new ATOM 0 HG21 THR A 7 32.213 33.615 23.679 1.00 0.00 H new ATOM 0 HG22 THR A 7 31.854 31.876 23.554 1.00 0.00 H new ATOM 0 HG23 THR A 7 30.662 32.982 24.279 1.00 0.00 H new ATOM 128 N LEU A 8 33.646 30.541 27.515 1.00 0.00 N ATOM 129 CA LEU A 8 34.615 30.317 28.568 1.00 0.00 C ATOM 130 C LEU A 8 35.049 31.545 29.373 1.00 0.00 C ATOM 131 O LEU A 8 35.277 31.472 30.579 1.00 0.00 O ATOM 132 CB LEU A 8 35.898 29.734 27.970 1.00 0.00 C ATOM 133 CG LEU A 8 35.719 28.434 27.187 1.00 0.00 C ATOM 134 CD1 LEU A 8 36.857 28.264 26.178 1.00 0.00 C ATOM 135 CD2 LEU A 8 35.835 27.193 28.071 1.00 0.00 C ATOM 0 H LEU A 8 34.002 30.195 26.624 1.00 0.00 H new ATOM 0 HA LEU A 8 34.091 29.650 29.253 1.00 0.00 H new ATOM 0 HB2 LEU A 8 36.343 30.479 27.310 1.00 0.00 H new ATOM 0 HB3 LEU A 8 36.609 29.558 28.777 1.00 0.00 H new ATOM 0 HG LEU A 8 34.731 28.510 26.732 1.00 0.00 H new ATOM 0 HD11 LEU A 8 36.718 27.334 25.626 1.00 0.00 H new ATOM 0 HD12 LEU A 8 36.854 29.103 25.482 1.00 0.00 H new ATOM 0 HD13 LEU A 8 37.810 28.234 26.706 1.00 0.00 H new ATOM 0 HD21 LEU A 8 35.700 26.299 27.462 1.00 0.00 H new ATOM 0 HD22 LEU A 8 36.820 27.169 28.537 1.00 0.00 H new ATOM 0 HD23 LEU A 8 35.068 27.225 28.845 1.00 0.00 H new ATOM 147 N THR A 9 35.165 32.669 28.673 1.00 0.00 N ATOM 148 CA THR A 9 35.430 34.013 29.155 1.00 0.00 C ATOM 149 C THR A 9 34.233 34.672 29.854 1.00 0.00 C ATOM 150 O THR A 9 34.370 35.327 30.880 1.00 0.00 O ATOM 151 CB THR A 9 36.017 34.739 27.953 1.00 0.00 C ATOM 152 OG1 THR A 9 35.294 34.412 26.791 1.00 0.00 O ATOM 153 CG2 THR A 9 37.497 34.517 27.645 1.00 0.00 C ATOM 0 H THR A 9 35.066 32.656 27.658 1.00 0.00 H new ATOM 0 HA THR A 9 36.143 34.037 29.979 1.00 0.00 H new ATOM 0 HB THR A 9 35.932 35.786 28.244 1.00 0.00 H new ATOM 0 HG1 THR A 9 35.678 34.885 26.023 1.00 0.00 H new ATOM 0 HG21 THR A 9 37.776 35.095 26.764 1.00 0.00 H new ATOM 0 HG22 THR A 9 38.098 34.839 28.496 1.00 0.00 H new ATOM 0 HG23 THR A 9 37.674 33.458 27.455 1.00 0.00 H new ATOM 161 N GLY A 10 33.033 34.340 29.378 1.00 0.00 N ATOM 162 CA GLY A 10 31.799 34.836 29.963 1.00 0.00 C ATOM 163 C GLY A 10 30.942 35.750 29.080 1.00 0.00 C ATOM 164 O GLY A 10 30.095 36.482 29.575 1.00 0.00 O ATOM 0 H GLY A 10 32.895 33.722 28.579 1.00 0.00 H new ATOM 0 HA2 GLY A 10 31.192 33.979 30.257 1.00 0.00 H new ATOM 0 HA3 GLY A 10 32.048 35.378 30.875 1.00 0.00 H new ATOM 168 N LYS A 11 31.174 35.772 27.778 1.00 0.00 N ATOM 169 CA LYS A 11 30.443 36.547 26.799 1.00 0.00 C ATOM 170 C LYS A 11 29.239 35.712 26.379 1.00 0.00 C ATOM 171 O LYS A 11 29.302 34.495 26.269 1.00 0.00 O ATOM 172 CB LYS A 11 31.331 36.773 25.576 1.00 0.00 C ATOM 173 CG LYS A 11 30.985 37.934 24.639 1.00 0.00 C ATOM 174 CD LYS A 11 31.870 38.085 23.397 1.00 0.00 C ATOM 175 CE LYS A 11 31.378 39.162 22.437 1.00 0.00 C ATOM 176 NZ LYS A 11 32.175 39.210 21.200 1.00 0.00 N ATOM 0 H LYS A 11 31.919 35.218 27.356 1.00 0.00 H new ATOM 0 HA LYS A 11 30.138 37.510 27.210 1.00 0.00 H new ATOM 0 HB2 LYS A 11 32.352 36.921 25.928 1.00 0.00 H new ATOM 0 HB3 LYS A 11 31.327 35.856 24.987 1.00 0.00 H new ATOM 0 HG2 LYS A 11 29.952 37.815 24.312 1.00 0.00 H new ATOM 0 HG3 LYS A 11 31.033 38.861 25.210 1.00 0.00 H new ATOM 0 HD2 LYS A 11 32.887 38.323 23.710 1.00 0.00 H new ATOM 0 HD3 LYS A 11 31.913 37.131 22.871 1.00 0.00 H new ATOM 0 HE2 LYS A 11 30.334 38.974 22.187 1.00 0.00 H new ATOM 0 HE3 LYS A 11 31.418 40.133 22.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 31.691 39.805 20.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 33.112 39.610 21.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 32.285 38.248 20.821 1.00 0.00 H new ATOM 190 N THR A 12 28.040 36.287 26.287 1.00 0.00 N ATOM 191 CA THR A 12 26.748 35.708 25.971 1.00 0.00 C ATOM 192 C THR A 12 26.502 36.047 24.493 1.00 0.00 C ATOM 193 O THR A 12 26.188 37.216 24.273 1.00 0.00 O ATOM 194 CB THR A 12 25.579 36.207 26.812 1.00 0.00 C ATOM 195 OG1 THR A 12 25.811 35.687 28.094 1.00 0.00 O ATOM 196 CG2 THR A 12 24.298 35.631 26.199 1.00 0.00 C ATOM 0 H THR A 12 27.949 37.289 26.453 1.00 0.00 H new ATOM 0 HA THR A 12 26.789 34.641 26.188 1.00 0.00 H new ATOM 0 HB THR A 12 25.482 37.292 26.850 1.00 0.00 H new ATOM 0 HG1 THR A 12 25.093 35.971 28.697 1.00 0.00 H new ATOM 0 HG21 THR A 12 23.436 35.967 26.775 1.00 0.00 H new ATOM 0 HG22 THR A 12 24.202 35.974 25.169 1.00 0.00 H new ATOM 0 HG23 THR A 12 24.344 34.542 26.216 1.00 0.00 H new ATOM 204 N ILE A 13 26.459 35.119 23.538 1.00 0.00 N ATOM 205 CA ILE A 13 26.128 35.324 22.140 1.00 0.00 C ATOM 206 C ILE A 13 24.669 34.854 22.122 1.00 0.00 C ATOM 207 O ILE A 13 24.319 33.738 22.521 1.00 0.00 O ATOM 208 CB ILE A 13 26.964 34.415 21.245 1.00 0.00 C ATOM 209 CG1 ILE A 13 28.453 34.253 21.599 1.00 0.00 C ATOM 210 CG2 ILE A 13 26.920 34.867 19.789 1.00 0.00 C ATOM 211 CD1 ILE A 13 29.169 33.106 20.885 1.00 0.00 C ATOM 0 H ILE A 13 26.669 34.142 23.740 1.00 0.00 H new ATOM 0 HA ILE A 13 26.299 36.340 21.785 1.00 0.00 H new ATOM 0 HB ILE A 13 26.485 33.450 21.414 1.00 0.00 H new ATOM 0 HG12 ILE A 13 28.969 35.184 21.366 1.00 0.00 H new ATOM 0 HG13 ILE A 13 28.540 34.101 22.675 1.00 0.00 H new ATOM 0 HG21 ILE A 13 27.527 34.196 19.181 1.00 0.00 H new ATOM 0 HG22 ILE A 13 25.890 34.847 19.433 1.00 0.00 H new ATOM 0 HG23 ILE A 13 27.312 35.881 19.711 1.00 0.00 H new ATOM 0 HD11 ILE A 13 30.212 33.075 21.201 1.00 0.00 H new ATOM 0 HD12 ILE A 13 28.685 32.162 21.137 1.00 0.00 H new ATOM 0 HD13 ILE A 13 29.121 33.262 19.807 1.00 0.00 H new ATOM 223 N THR A 14 23.723 35.746 21.862 1.00 0.00 N ATOM 224 CA THR A 14 22.428 35.430 21.303 1.00 0.00 C ATOM 225 C THR A 14 22.607 34.918 19.874 1.00 0.00 C ATOM 226 O THR A 14 23.220 35.598 19.062 1.00 0.00 O ATOM 227 CB THR A 14 21.522 36.664 21.426 1.00 0.00 C ATOM 228 OG1 THR A 14 20.188 36.449 21.050 1.00 0.00 O ATOM 229 CG2 THR A 14 22.018 37.936 20.742 1.00 0.00 C ATOM 0 H THR A 14 23.846 36.742 22.043 1.00 0.00 H new ATOM 0 HA THR A 14 21.934 34.627 21.850 1.00 0.00 H new ATOM 0 HB THR A 14 21.571 36.831 22.502 1.00 0.00 H new ATOM 0 HG1 THR A 14 19.680 37.280 21.159 1.00 0.00 H new ATOM 0 HG21 THR A 14 21.296 38.738 20.897 1.00 0.00 H new ATOM 0 HG22 THR A 14 22.979 38.226 21.166 1.00 0.00 H new ATOM 0 HG23 THR A 14 22.133 37.753 19.674 1.00 0.00 H new ATOM 237 N LEU A 15 21.999 33.802 19.468 1.00 0.00 N ATOM 238 CA LEU A 15 22.200 33.121 18.204 1.00 0.00 C ATOM 239 C LEU A 15 20.828 32.809 17.603 1.00 0.00 C ATOM 240 O LEU A 15 20.043 32.184 18.314 1.00 0.00 O ATOM 241 CB LEU A 15 22.936 31.817 18.498 1.00 0.00 C ATOM 242 CG LEU A 15 23.589 31.203 17.254 1.00 0.00 C ATOM 243 CD1 LEU A 15 24.522 32.137 16.490 1.00 0.00 C ATOM 244 CD2 LEU A 15 24.247 29.878 17.631 1.00 0.00 C ATOM 0 H LEU A 15 21.313 33.327 20.054 1.00 0.00 H new ATOM 0 HA LEU A 15 22.774 33.732 17.507 1.00 0.00 H new ATOM 0 HB2 LEU A 15 23.703 32.001 19.251 1.00 0.00 H new ATOM 0 HB3 LEU A 15 22.236 31.099 18.925 1.00 0.00 H new ATOM 0 HG LEU A 15 22.792 31.016 16.534 1.00 0.00 H new ATOM 0 HD11 LEU A 15 24.935 31.613 15.628 1.00 0.00 H new ATOM 0 HD12 LEU A 15 23.965 33.011 16.152 1.00 0.00 H new ATOM 0 HD13 LEU A 15 25.334 32.455 17.144 1.00 0.00 H new ATOM 0 HD21 LEU A 15 24.712 29.439 16.749 1.00 0.00 H new ATOM 0 HD22 LEU A 15 25.007 30.053 18.393 1.00 0.00 H new ATOM 0 HD23 LEU A 15 23.492 29.195 18.021 1.00 0.00 H new ATOM 256 N GLU A 16 20.608 33.182 16.351 1.00 0.00 N ATOM 257 CA GLU A 16 19.397 32.952 15.587 1.00 0.00 C ATOM 258 C GLU A 16 19.505 31.640 14.804 1.00 0.00 C ATOM 259 O GLU A 16 20.307 31.488 13.891 1.00 0.00 O ATOM 260 CB GLU A 16 19.258 34.115 14.605 1.00 0.00 C ATOM 261 CG GLU A 16 19.007 35.519 15.157 1.00 0.00 C ATOM 262 CD GLU A 16 20.261 36.211 15.674 1.00 0.00 C ATOM 263 OE1 GLU A 16 21.430 35.851 15.422 1.00 0.00 O ATOM 264 OE2 GLU A 16 20.047 37.186 16.418 1.00 0.00 O ATOM 0 H GLU A 16 21.314 33.683 15.812 1.00 0.00 H new ATOM 0 HA GLU A 16 18.535 32.885 16.250 1.00 0.00 H new ATOM 0 HB2 GLU A 16 20.169 34.153 14.008 1.00 0.00 H new ATOM 0 HB3 GLU A 16 18.440 33.877 13.925 1.00 0.00 H new ATOM 0 HG2 GLU A 16 18.562 36.133 14.374 1.00 0.00 H new ATOM 0 HG3 GLU A 16 18.279 35.456 15.966 1.00 0.00 H new ATOM 271 N VAL A 17 18.641 30.680 15.147 1.00 0.00 N ATOM 272 CA VAL A 17 18.803 29.290 14.786 1.00 0.00 C ATOM 273 C VAL A 17 17.699 28.628 13.962 1.00 0.00 C ATOM 274 O VAL A 17 18.082 28.221 12.871 1.00 0.00 O ATOM 275 CB VAL A 17 19.450 28.380 15.846 1.00 0.00 C ATOM 276 CG1 VAL A 17 20.836 28.838 16.302 1.00 0.00 C ATOM 277 CG2 VAL A 17 18.511 28.089 17.013 1.00 0.00 C ATOM 0 H VAL A 17 17.799 30.862 15.693 1.00 0.00 H new ATOM 0 HA VAL A 17 19.583 29.408 14.034 1.00 0.00 H new ATOM 0 HB VAL A 17 19.625 27.431 15.338 1.00 0.00 H new ATOM 0 HG11 VAL A 17 21.221 28.143 17.048 1.00 0.00 H new ATOM 0 HG12 VAL A 17 21.511 28.862 15.446 1.00 0.00 H new ATOM 0 HG13 VAL A 17 20.765 29.835 16.737 1.00 0.00 H new ATOM 0 HG21 VAL A 17 19.014 27.443 17.733 1.00 0.00 H new ATOM 0 HG22 VAL A 17 18.232 29.025 17.498 1.00 0.00 H new ATOM 0 HG23 VAL A 17 17.615 27.591 16.643 1.00 0.00 H new ATOM 287 N GLU A 18 16.492 28.394 14.460 1.00 0.00 N ATOM 288 CA GLU A 18 15.504 27.410 14.068 1.00 0.00 C ATOM 289 C GLU A 18 15.914 26.075 14.709 1.00 0.00 C ATOM 290 O GLU A 18 17.090 25.726 14.678 1.00 0.00 O ATOM 291 CB GLU A 18 15.242 27.264 12.563 1.00 0.00 C ATOM 292 CG GLU A 18 13.838 26.829 12.146 1.00 0.00 C ATOM 293 CD GLU A 18 12.728 27.799 12.483 1.00 0.00 C ATOM 294 OE1 GLU A 18 12.850 28.955 12.012 1.00 0.00 O ATOM 295 OE2 GLU A 18 11.750 27.537 13.223 1.00 0.00 O ATOM 0 H GLU A 18 16.147 28.957 15.238 1.00 0.00 H new ATOM 0 HA GLU A 18 14.539 27.763 14.431 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.456 28.221 12.087 1.00 0.00 H new ATOM 0 HB3 GLU A 18 15.954 26.542 12.163 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.834 26.660 11.069 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.617 25.873 12.620 1.00 0.00 H new ATOM 302 N PRO A 19 15.022 25.346 15.366 1.00 0.00 N ATOM 303 CA PRO A 19 15.471 24.145 16.044 1.00 0.00 C ATOM 304 C PRO A 19 15.721 22.937 15.127 1.00 0.00 C ATOM 305 O PRO A 19 16.372 21.986 15.562 1.00 0.00 O ATOM 306 CB PRO A 19 14.338 23.832 17.023 1.00 0.00 C ATOM 307 CG PRO A 19 13.075 24.428 16.396 1.00 0.00 C ATOM 308 CD PRO A 19 13.607 25.594 15.571 1.00 0.00 C ATOM 0 HA PRO A 19 16.441 24.323 16.508 1.00 0.00 H new ATOM 0 HB2 PRO A 19 14.233 22.757 17.170 1.00 0.00 H new ATOM 0 HB3 PRO A 19 14.534 24.270 18.002 1.00 0.00 H new ATOM 0 HG2 PRO A 19 12.553 23.701 15.774 1.00 0.00 H new ATOM 0 HG3 PRO A 19 12.369 24.763 17.156 1.00 0.00 H new ATOM 0 HD2 PRO A 19 13.084 25.664 14.617 1.00 0.00 H new ATOM 0 HD3 PRO A 19 13.451 26.539 16.091 1.00 0.00 H new ATOM 316 N SER A 20 15.215 22.937 13.903 1.00 0.00 N ATOM 317 CA SER A 20 15.486 21.943 12.881 1.00 0.00 C ATOM 318 C SER A 20 16.726 22.186 12.032 1.00 0.00 C ATOM 319 O SER A 20 16.944 21.540 11.005 1.00 0.00 O ATOM 320 CB SER A 20 14.304 21.923 11.909 1.00 0.00 C ATOM 321 OG SER A 20 13.140 21.699 12.665 1.00 0.00 O ATOM 0 H SER A 20 14.575 23.664 13.583 1.00 0.00 H new ATOM 0 HA SER A 20 15.648 21.014 13.427 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.235 22.868 11.369 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.434 21.139 11.163 1.00 0.00 H new ATOM 0 HG SER A 20 12.362 21.682 12.070 1.00 0.00 H new ATOM 327 N ASP A 21 17.631 23.038 12.515 1.00 0.00 N ATOM 328 CA ASP A 21 19.027 23.079 12.126 1.00 0.00 C ATOM 329 C ASP A 21 19.794 21.932 12.800 1.00 0.00 C ATOM 330 O ASP A 21 19.442 21.499 13.892 1.00 0.00 O ATOM 331 CB ASP A 21 19.547 24.406 12.673 1.00 0.00 C ATOM 332 CG ASP A 21 20.675 25.060 11.888 1.00 0.00 C ATOM 333 OD1 ASP A 21 21.109 24.591 10.820 1.00 0.00 O ATOM 334 OD2 ASP A 21 21.170 26.123 12.314 1.00 0.00 O ATOM 0 H ASP A 21 17.395 23.742 13.214 1.00 0.00 H new ATOM 0 HA ASP A 21 19.151 22.984 11.047 1.00 0.00 H new ATOM 0 HB2 ASP A 21 18.713 25.106 12.723 1.00 0.00 H new ATOM 0 HB3 ASP A 21 19.889 24.245 13.695 1.00 0.00 H new ATOM 339 N THR A 22 20.865 21.513 12.131 1.00 0.00 N ATOM 340 CA THR A 22 21.811 20.518 12.610 1.00 0.00 C ATOM 341 C THR A 22 22.894 21.243 13.406 1.00 0.00 C ATOM 342 O THR A 22 23.343 22.314 13.022 1.00 0.00 O ATOM 343 CB THR A 22 22.421 19.800 11.406 1.00 0.00 C ATOM 344 OG1 THR A 22 22.786 20.634 10.325 1.00 0.00 O ATOM 345 CG2 THR A 22 21.461 18.748 10.858 1.00 0.00 C ATOM 0 H THR A 22 21.104 21.872 11.207 1.00 0.00 H new ATOM 0 HA THR A 22 21.322 19.781 13.247 1.00 0.00 H new ATOM 0 HB THR A 22 23.335 19.360 11.805 1.00 0.00 H new ATOM 0 HG1 THR A 22 23.167 20.089 9.605 1.00 0.00 H new ATOM 0 HG21 THR A 22 21.917 18.250 10.002 1.00 0.00 H new ATOM 0 HG22 THR A 22 21.246 18.012 11.633 1.00 0.00 H new ATOM 0 HG23 THR A 22 20.534 19.229 10.547 1.00 0.00 H new ATOM 353 N ILE A 23 23.400 20.510 14.404 1.00 0.00 N ATOM 354 CA ILE A 23 24.499 20.851 15.277 1.00 0.00 C ATOM 355 C ILE A 23 25.715 21.411 14.536 1.00 0.00 C ATOM 356 O ILE A 23 26.291 22.427 14.909 1.00 0.00 O ATOM 357 CB ILE A 23 24.788 19.744 16.294 1.00 0.00 C ATOM 358 CG1 ILE A 23 23.566 19.315 17.107 1.00 0.00 C ATOM 359 CG2 ILE A 23 25.899 19.983 17.312 1.00 0.00 C ATOM 360 CD1 ILE A 23 22.565 20.392 17.528 1.00 0.00 C ATOM 0 H ILE A 23 23.012 19.594 14.629 1.00 0.00 H new ATOM 0 HA ILE A 23 24.181 21.699 15.883 1.00 0.00 H new ATOM 0 HB ILE A 23 25.123 18.970 15.604 1.00 0.00 H new ATOM 0 HG12 ILE A 23 23.026 18.567 16.527 1.00 0.00 H new ATOM 0 HG13 ILE A 23 23.924 18.821 18.010 1.00 0.00 H new ATOM 0 HG21 ILE A 23 25.988 19.114 17.964 1.00 0.00 H new ATOM 0 HG22 ILE A 23 26.843 20.143 16.790 1.00 0.00 H new ATOM 0 HG23 ILE A 23 25.662 20.863 17.910 1.00 0.00 H new ATOM 0 HD11 ILE A 23 21.755 19.934 18.096 1.00 0.00 H new ATOM 0 HD12 ILE A 23 23.068 21.134 18.147 1.00 0.00 H new ATOM 0 HD13 ILE A 23 22.157 20.876 16.641 1.00 0.00 H new ATOM 372 N GLU A 24 26.075 20.925 13.347 1.00 0.00 N ATOM 373 CA GLU A 24 27.285 21.385 12.703 1.00 0.00 C ATOM 374 C GLU A 24 27.106 22.705 11.947 1.00 0.00 C ATOM 375 O GLU A 24 28.071 23.416 11.680 1.00 0.00 O ATOM 376 CB GLU A 24 27.714 20.340 11.671 1.00 0.00 C ATOM 377 CG GLU A 24 28.129 18.955 12.156 1.00 0.00 C ATOM 378 CD GLU A 24 28.663 17.930 11.170 1.00 0.00 C ATOM 379 OE1 GLU A 24 28.006 17.840 10.108 1.00 0.00 O ATOM 380 OE2 GLU A 24 29.549 17.124 11.525 1.00 0.00 O ATOM 0 H GLU A 24 25.549 20.224 12.825 1.00 0.00 H new ATOM 0 HA GLU A 24 28.021 21.537 13.493 1.00 0.00 H new ATOM 0 HB2 GLU A 24 26.889 20.211 10.970 1.00 0.00 H new ATOM 0 HB3 GLU A 24 28.549 20.756 11.108 1.00 0.00 H new ATOM 0 HG2 GLU A 24 28.892 19.096 12.922 1.00 0.00 H new ATOM 0 HG3 GLU A 24 27.263 18.511 12.647 1.00 0.00 H new ATOM 387 N ASN A 25 25.850 23.102 11.725 1.00 0.00 N ATOM 388 CA ASN A 25 25.592 24.390 11.115 1.00 0.00 C ATOM 389 C ASN A 25 25.339 25.454 12.185 1.00 0.00 C ATOM 390 O ASN A 25 25.557 26.655 12.022 1.00 0.00 O ATOM 391 CB ASN A 25 24.383 24.161 10.207 1.00 0.00 C ATOM 392 CG ASN A 25 24.139 25.374 9.322 1.00 0.00 C ATOM 393 OD1 ASN A 25 24.941 25.836 8.511 1.00 0.00 O ATOM 394 ND2 ASN A 25 23.029 26.053 9.621 1.00 0.00 N ATOM 0 H ASN A 25 25.019 22.558 11.956 1.00 0.00 H new ATOM 0 HA ASN A 25 26.440 24.764 10.541 1.00 0.00 H new ATOM 0 HB2 ASN A 25 24.549 23.280 9.587 1.00 0.00 H new ATOM 0 HB3 ASN A 25 23.499 23.963 10.813 1.00 0.00 H new ATOM 0 HD21 ASN A 25 22.847 26.953 9.177 1.00 0.00 H new ATOM 0 HD22 ASN A 25 22.363 25.671 10.293 1.00 0.00 H new ATOM 401 N VAL A 26 24.889 25.114 13.386 1.00 0.00 N ATOM 402 CA VAL A 26 24.841 25.947 14.569 1.00 0.00 C ATOM 403 C VAL A 26 26.259 26.423 14.897 1.00 0.00 C ATOM 404 O VAL A 26 26.425 27.591 15.233 1.00 0.00 O ATOM 405 CB VAL A 26 24.138 25.174 15.690 1.00 0.00 C ATOM 406 CG1 VAL A 26 24.146 25.997 16.970 1.00 0.00 C ATOM 407 CG2 VAL A 26 22.720 24.825 15.242 1.00 0.00 C ATOM 0 H VAL A 26 24.522 24.179 13.566 1.00 0.00 H new ATOM 0 HA VAL A 26 24.252 26.852 14.418 1.00 0.00 H new ATOM 0 HB VAL A 26 24.667 24.244 15.899 1.00 0.00 H new ATOM 0 HG11 VAL A 26 23.645 25.442 17.763 1.00 0.00 H new ATOM 0 HG12 VAL A 26 25.175 26.201 17.265 1.00 0.00 H new ATOM 0 HG13 VAL A 26 23.624 26.939 16.800 1.00 0.00 H new ATOM 0 HG21 VAL A 26 22.213 24.275 16.035 1.00 0.00 H new ATOM 0 HG22 VAL A 26 22.170 25.741 15.028 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.763 24.210 14.343 1.00 0.00 H new ATOM 417 N LYS A 27 27.237 25.525 14.777 1.00 0.00 N ATOM 418 CA LYS A 27 28.623 25.867 14.976 1.00 0.00 C ATOM 419 C LYS A 27 29.180 26.764 13.863 1.00 0.00 C ATOM 420 O LYS A 27 29.966 27.659 14.180 1.00 0.00 O ATOM 421 CB LYS A 27 29.429 24.560 14.947 1.00 0.00 C ATOM 422 CG LYS A 27 29.202 23.594 16.114 1.00 0.00 C ATOM 423 CD LYS A 27 30.118 22.372 16.070 1.00 0.00 C ATOM 424 CE LYS A 27 29.813 21.153 16.948 1.00 0.00 C ATOM 425 NZ LYS A 27 30.888 20.150 16.935 1.00 0.00 N ATOM 0 H LYS A 27 27.079 24.546 14.539 1.00 0.00 H new ATOM 0 HA LYS A 27 28.702 26.406 15.920 1.00 0.00 H new ATOM 0 HB2 LYS A 27 29.197 24.036 14.020 1.00 0.00 H new ATOM 0 HB3 LYS A 27 30.489 24.813 14.914 1.00 0.00 H new ATOM 0 HG2 LYS A 27 29.360 24.125 17.053 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.164 23.262 16.106 1.00 0.00 H new ATOM 0 HD2 LYS A 27 30.149 22.027 15.036 1.00 0.00 H new ATOM 0 HD3 LYS A 27 31.123 22.711 16.323 1.00 0.00 H new ATOM 0 HE2 LYS A 27 29.645 21.484 17.973 1.00 0.00 H new ATOM 0 HE3 LYS A 27 28.887 20.689 16.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 30.842 19.580 17.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 30.774 19.530 16.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 31.810 20.629 16.884 1.00 0.00 H new ATOM 439 N ALA A 28 28.757 26.629 12.609 1.00 0.00 N ATOM 440 CA ALA A 28 29.199 27.598 11.620 1.00 0.00 C ATOM 441 C ALA A 28 28.417 28.913 11.757 1.00 0.00 C ATOM 442 O ALA A 28 28.907 29.956 11.353 1.00 0.00 O ATOM 443 CB ALA A 28 28.800 26.996 10.270 1.00 0.00 C ATOM 0 H ALA A 28 28.138 25.894 12.267 1.00 0.00 H new ATOM 0 HA ALA A 28 30.264 27.800 11.731 1.00 0.00 H new ATOM 0 HB1 ALA A 28 29.100 27.670 9.468 1.00 0.00 H new ATOM 0 HB2 ALA A 28 29.296 26.034 10.140 1.00 0.00 H new ATOM 0 HB3 ALA A 28 27.720 26.855 10.240 1.00 0.00 H new ATOM 449 N LYS A 29 27.317 28.979 12.493 1.00 0.00 N ATOM 450 CA LYS A 29 26.618 30.217 12.805 1.00 0.00 C ATOM 451 C LYS A 29 27.439 31.089 13.751 1.00 0.00 C ATOM 452 O LYS A 29 27.478 32.311 13.636 1.00 0.00 O ATOM 453 CB LYS A 29 25.173 29.962 13.241 1.00 0.00 C ATOM 454 CG LYS A 29 24.219 29.764 12.066 1.00 0.00 C ATOM 455 CD LYS A 29 22.705 29.802 12.334 1.00 0.00 C ATOM 456 CE LYS A 29 21.830 29.439 11.134 1.00 0.00 C ATOM 457 NZ LYS A 29 20.655 28.642 11.509 1.00 0.00 N ATOM 0 H LYS A 29 26.876 28.154 12.899 1.00 0.00 H new ATOM 0 HA LYS A 29 26.520 30.806 11.893 1.00 0.00 H new ATOM 0 HB2 LYS A 29 25.143 29.078 13.879 1.00 0.00 H new ATOM 0 HB3 LYS A 29 24.828 30.802 13.844 1.00 0.00 H new ATOM 0 HG2 LYS A 29 24.443 30.531 11.324 1.00 0.00 H new ATOM 0 HG3 LYS A 29 24.451 28.802 11.610 1.00 0.00 H new ATOM 0 HD2 LYS A 29 22.478 29.117 13.151 1.00 0.00 H new ATOM 0 HD3 LYS A 29 22.436 30.803 12.672 1.00 0.00 H new ATOM 0 HE2 LYS A 29 21.501 30.353 10.640 1.00 0.00 H new ATOM 0 HE3 LYS A 29 22.426 28.882 10.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 20.231 28.226 10.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 20.944 27.882 12.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 19.957 29.253 11.980 1.00 0.00 H new ATOM 471 N ILE A 30 28.128 30.444 14.685 1.00 0.00 N ATOM 472 CA ILE A 30 29.050 31.006 15.646 1.00 0.00 C ATOM 473 C ILE A 30 30.294 31.487 14.894 1.00 0.00 C ATOM 474 O ILE A 30 30.862 32.550 15.170 1.00 0.00 O ATOM 475 CB ILE A 30 29.426 29.849 16.580 1.00 0.00 C ATOM 476 CG1 ILE A 30 28.336 29.280 17.501 1.00 0.00 C ATOM 477 CG2 ILE A 30 30.572 30.273 17.496 1.00 0.00 C ATOM 478 CD1 ILE A 30 27.952 30.197 18.669 1.00 0.00 C ATOM 0 H ILE A 30 28.044 29.433 14.792 1.00 0.00 H new ATOM 0 HA ILE A 30 28.626 31.844 16.199 1.00 0.00 H new ATOM 0 HB ILE A 30 29.671 29.056 15.873 1.00 0.00 H new ATOM 0 HG12 ILE A 30 27.445 29.076 16.907 1.00 0.00 H new ATOM 0 HG13 ILE A 30 28.677 28.325 17.901 1.00 0.00 H new ATOM 0 HG21 ILE A 30 30.834 29.447 18.157 1.00 0.00 H new ATOM 0 HG22 ILE A 30 31.438 30.544 16.893 1.00 0.00 H new ATOM 0 HG23 ILE A 30 30.262 31.131 18.093 1.00 0.00 H new ATOM 0 HD11 ILE A 30 27.177 29.718 19.268 1.00 0.00 H new ATOM 0 HD12 ILE A 30 28.828 30.381 19.290 1.00 0.00 H new ATOM 0 HD13 ILE A 30 27.577 31.144 18.280 1.00 0.00 H new ATOM 490 N GLN A 31 30.602 30.784 13.804 1.00 0.00 N ATOM 491 CA GLN A 31 31.650 31.205 12.890 1.00 0.00 C ATOM 492 C GLN A 31 31.318 32.466 12.078 1.00 0.00 C ATOM 493 O GLN A 31 32.160 33.329 11.864 1.00 0.00 O ATOM 494 CB GLN A 31 32.096 30.101 11.936 1.00 0.00 C ATOM 495 CG GLN A 31 33.301 30.311 11.025 1.00 0.00 C ATOM 496 CD GLN A 31 33.479 29.113 10.105 1.00 0.00 C ATOM 497 OE1 GLN A 31 32.544 28.419 9.694 1.00 0.00 O ATOM 498 NE2 GLN A 31 34.721 28.884 9.683 1.00 0.00 N ATOM 0 H GLN A 31 30.135 29.917 13.537 1.00 0.00 H new ATOM 0 HA GLN A 31 32.474 31.451 13.560 1.00 0.00 H new ATOM 0 HB2 GLN A 31 32.298 29.216 12.539 1.00 0.00 H new ATOM 0 HB3 GLN A 31 31.246 29.864 11.297 1.00 0.00 H new ATOM 0 HG2 GLN A 31 33.165 31.216 10.433 1.00 0.00 H new ATOM 0 HG3 GLN A 31 34.199 30.454 11.625 1.00 0.00 H new ATOM 0 HE21 GLN A 31 35.490 29.460 10.025 1.00 0.00 H new ATOM 0 HE22 GLN A 31 34.903 28.133 9.018 1.00 0.00 H new ATOM 507 N ASP A 32 30.064 32.632 11.657 1.00 0.00 N ATOM 508 CA ASP A 32 29.589 33.847 11.031 1.00 0.00 C ATOM 509 C ASP A 32 29.506 35.052 11.980 1.00 0.00 C ATOM 510 O ASP A 32 30.181 36.046 11.775 1.00 0.00 O ATOM 511 CB ASP A 32 28.213 33.669 10.369 1.00 0.00 C ATOM 512 CG ASP A 32 27.833 34.866 9.511 1.00 0.00 C ATOM 513 OD1 ASP A 32 28.408 34.952 8.406 1.00 0.00 O ATOM 514 OD2 ASP A 32 27.003 35.702 9.928 1.00 0.00 O ATOM 0 H ASP A 32 29.347 31.912 11.746 1.00 0.00 H new ATOM 0 HA ASP A 32 30.346 34.056 10.275 1.00 0.00 H new ATOM 0 HB2 ASP A 32 28.221 32.770 9.753 1.00 0.00 H new ATOM 0 HB3 ASP A 32 27.457 33.521 11.140 1.00 0.00 H new ATOM 519 N LYS A 33 28.856 34.869 13.118 1.00 0.00 N ATOM 520 CA LYS A 33 28.516 35.924 14.058 1.00 0.00 C ATOM 521 C LYS A 33 29.546 36.292 15.127 1.00 0.00 C ATOM 522 O LYS A 33 29.581 37.429 15.595 1.00 0.00 O ATOM 523 CB LYS A 33 27.259 35.428 14.783 1.00 0.00 C ATOM 524 CG LYS A 33 26.513 36.593 15.437 1.00 0.00 C ATOM 525 CD LYS A 33 25.246 36.268 16.239 1.00 0.00 C ATOM 526 CE LYS A 33 24.405 37.530 16.421 1.00 0.00 C ATOM 527 NZ LYS A 33 23.056 37.249 16.952 1.00 0.00 N ATOM 0 H LYS A 33 28.540 33.949 13.423 1.00 0.00 H new ATOM 0 HA LYS A 33 28.417 36.835 13.467 1.00 0.00 H new ATOM 0 HB2 LYS A 33 26.602 34.921 14.076 1.00 0.00 H new ATOM 0 HB3 LYS A 33 27.536 34.696 15.542 1.00 0.00 H new ATOM 0 HG2 LYS A 33 27.208 37.106 16.102 1.00 0.00 H new ATOM 0 HG3 LYS A 33 26.242 37.300 14.653 1.00 0.00 H new ATOM 0 HD2 LYS A 33 24.664 35.505 15.722 1.00 0.00 H new ATOM 0 HD3 LYS A 33 25.517 35.858 17.212 1.00 0.00 H new ATOM 0 HE2 LYS A 33 24.922 38.211 17.097 1.00 0.00 H new ATOM 0 HE3 LYS A 33 24.314 38.041 15.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 22.475 38.110 16.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 22.612 36.495 16.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 23.130 36.945 17.944 1.00 0.00 H new ATOM 541 N GLU A 34 30.414 35.380 15.551 1.00 0.00 N ATOM 542 CA GLU A 34 31.507 35.584 16.475 1.00 0.00 C ATOM 543 C GLU A 34 32.895 35.208 15.946 1.00 0.00 C ATOM 544 O GLU A 34 33.841 35.697 16.560 1.00 0.00 O ATOM 545 CB GLU A 34 31.195 34.914 17.811 1.00 0.00 C ATOM 546 CG GLU A 34 30.195 35.703 18.662 1.00 0.00 C ATOM 547 CD GLU A 34 30.697 36.971 19.321 1.00 0.00 C ATOM 548 OE1 GLU A 34 31.875 37.078 19.731 1.00 0.00 O ATOM 549 OE2 GLU A 34 29.901 37.898 19.619 1.00 0.00 O ATOM 0 H GLU A 34 30.362 34.413 15.231 1.00 0.00 H new ATOM 0 HA GLU A 34 31.578 36.662 16.618 1.00 0.00 H new ATOM 0 HB2 GLU A 34 30.797 33.916 17.626 1.00 0.00 H new ATOM 0 HB3 GLU A 34 32.121 34.789 18.372 1.00 0.00 H new ATOM 0 HG2 GLU A 34 29.346 35.964 18.031 1.00 0.00 H new ATOM 0 HG3 GLU A 34 29.820 35.042 19.443 1.00 0.00 H new ATOM 556 N GLY A 35 32.986 34.361 14.923 1.00 0.00 N ATOM 557 CA GLY A 35 34.222 34.054 14.228 1.00 0.00 C ATOM 558 C GLY A 35 34.734 32.655 14.582 1.00 0.00 C ATOM 559 O GLY A 35 35.672 32.228 13.909 1.00 0.00 O ATOM 0 H GLY A 35 32.180 33.860 14.550 1.00 0.00 H new ATOM 0 HA2 GLY A 35 34.062 34.122 13.152 1.00 0.00 H new ATOM 0 HA3 GLY A 35 34.979 34.795 14.485 1.00 0.00 H new ATOM 563 N ILE A 36 34.240 32.003 15.631 1.00 0.00 N ATOM 564 CA ILE A 36 35.041 30.992 16.301 1.00 0.00 C ATOM 565 C ILE A 36 35.009 29.697 15.481 1.00 0.00 C ATOM 566 O ILE A 36 33.903 29.209 15.272 1.00 0.00 O ATOM 567 CB ILE A 36 34.517 30.823 17.719 1.00 0.00 C ATOM 568 CG1 ILE A 36 34.622 32.133 18.498 1.00 0.00 C ATOM 569 CG2 ILE A 36 35.222 29.676 18.461 1.00 0.00 C ATOM 570 CD1 ILE A 36 33.559 32.214 19.604 1.00 0.00 C ATOM 0 H ILE A 36 33.311 32.153 16.026 1.00 0.00 H new ATOM 0 HA ILE A 36 36.087 31.289 16.374 1.00 0.00 H new ATOM 0 HB ILE A 36 33.463 30.554 17.646 1.00 0.00 H new ATOM 0 HG12 ILE A 36 35.615 32.217 18.939 1.00 0.00 H new ATOM 0 HG13 ILE A 36 34.504 32.975 17.815 1.00 0.00 H new ATOM 0 HG21 ILE A 36 34.817 29.591 19.469 1.00 0.00 H new ATOM 0 HG22 ILE A 36 35.059 28.741 17.925 1.00 0.00 H new ATOM 0 HG23 ILE A 36 36.291 29.881 18.516 1.00 0.00 H new ATOM 0 HD11 ILE A 36 33.662 33.158 20.139 1.00 0.00 H new ATOM 0 HD12 ILE A 36 32.566 32.155 19.159 1.00 0.00 H new ATOM 0 HD13 ILE A 36 33.694 31.386 20.300 1.00 0.00 H new ATOM 582 N PRO A 37 36.104 29.113 14.996 1.00 0.00 N ATOM 583 CA PRO A 37 35.970 27.951 14.136 1.00 0.00 C ATOM 584 C PRO A 37 35.171 26.762 14.689 1.00 0.00 C ATOM 585 O PRO A 37 35.187 26.401 15.860 1.00 0.00 O ATOM 586 CB PRO A 37 37.386 27.600 13.692 1.00 0.00 C ATOM 587 CG PRO A 37 38.338 28.711 14.151 1.00 0.00 C ATOM 588 CD PRO A 37 37.490 29.489 15.149 1.00 0.00 C ATOM 0 HA PRO A 37 35.331 28.211 13.292 1.00 0.00 H new ATOM 0 HB2 PRO A 37 37.689 26.644 14.118 1.00 0.00 H new ATOM 0 HB3 PRO A 37 37.426 27.493 12.608 1.00 0.00 H new ATOM 0 HG2 PRO A 37 39.239 28.307 14.613 1.00 0.00 H new ATOM 0 HG3 PRO A 37 38.660 29.337 13.319 1.00 0.00 H new ATOM 0 HD2 PRO A 37 37.824 29.283 16.166 1.00 0.00 H new ATOM 0 HD3 PRO A 37 37.608 30.560 14.986 1.00 0.00 H new ATOM 596 N PRO A 38 34.405 26.065 13.853 1.00 0.00 N ATOM 597 CA PRO A 38 33.415 25.126 14.339 1.00 0.00 C ATOM 598 C PRO A 38 33.934 23.760 14.779 1.00 0.00 C ATOM 599 O PRO A 38 33.298 23.109 15.599 1.00 0.00 O ATOM 600 CB PRO A 38 32.479 24.998 13.132 1.00 0.00 C ATOM 601 CG PRO A 38 33.467 24.970 11.966 1.00 0.00 C ATOM 602 CD PRO A 38 34.403 26.096 12.404 1.00 0.00 C ATOM 0 HA PRO A 38 32.960 25.490 15.260 1.00 0.00 H new ATOM 0 HB2 PRO A 38 31.876 24.091 13.178 1.00 0.00 H new ATOM 0 HB3 PRO A 38 31.788 25.838 13.061 1.00 0.00 H new ATOM 0 HG2 PRO A 38 33.979 24.012 11.873 1.00 0.00 H new ATOM 0 HG3 PRO A 38 32.990 25.171 11.007 1.00 0.00 H new ATOM 0 HD2 PRO A 38 35.407 25.946 12.008 1.00 0.00 H new ATOM 0 HD3 PRO A 38 34.055 27.060 12.034 1.00 0.00 H new ATOM 610 N ASP A 39 35.038 23.305 14.182 1.00 0.00 N ATOM 611 CA ASP A 39 35.789 22.124 14.548 1.00 0.00 C ATOM 612 C ASP A 39 36.262 21.894 15.994 1.00 0.00 C ATOM 613 O ASP A 39 36.352 20.736 16.380 1.00 0.00 O ATOM 614 CB ASP A 39 36.939 21.821 13.588 1.00 0.00 C ATOM 615 CG ASP A 39 38.328 22.282 13.992 1.00 0.00 C ATOM 616 OD1 ASP A 39 39.040 21.667 14.817 1.00 0.00 O ATOM 617 OD2 ASP A 39 38.739 23.198 13.249 1.00 0.00 O ATOM 0 H ASP A 39 35.448 23.788 13.383 1.00 0.00 H new ATOM 0 HA ASP A 39 34.968 21.412 14.459 1.00 0.00 H new ATOM 0 HB2 ASP A 39 36.974 20.742 13.434 1.00 0.00 H new ATOM 0 HB3 ASP A 39 36.701 22.273 12.625 1.00 0.00 H new ATOM 622 N GLN A 40 36.489 23.015 16.676 1.00 0.00 N ATOM 623 CA GLN A 40 36.998 23.063 18.035 1.00 0.00 C ATOM 624 C GLN A 40 35.867 23.114 19.061 1.00 0.00 C ATOM 625 O GLN A 40 36.199 22.898 20.226 1.00 0.00 O ATOM 626 CB GLN A 40 37.802 24.365 18.096 1.00 0.00 C ATOM 627 CG GLN A 40 38.962 24.457 17.116 1.00 0.00 C ATOM 628 CD GLN A 40 39.893 25.656 17.269 1.00 0.00 C ATOM 629 OE1 GLN A 40 39.883 26.388 18.260 1.00 0.00 O ATOM 630 NE2 GLN A 40 40.853 25.791 16.356 1.00 0.00 N ATOM 0 H GLN A 40 36.317 23.940 16.282 1.00 0.00 H new ATOM 0 HA GLN A 40 37.588 22.177 18.269 1.00 0.00 H new ATOM 0 HB2 GLN A 40 37.126 25.200 17.913 1.00 0.00 H new ATOM 0 HB3 GLN A 40 38.191 24.486 19.107 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.558 23.549 17.208 1.00 0.00 H new ATOM 0 HG3 GLN A 40 38.554 24.470 16.105 1.00 0.00 H new ATOM 0 HE21 GLN A 40 40.864 25.187 15.534 1.00 0.00 H new ATOM 0 HE22 GLN A 40 41.577 26.499 16.478 1.00 0.00 H new ATOM 639 N GLN A 41 34.660 23.481 18.645 1.00 0.00 N ATOM 640 CA GLN A 41 33.566 23.638 19.590 1.00 0.00 C ATOM 641 C GLN A 41 32.818 22.363 19.977 1.00 0.00 C ATOM 642 O GLN A 41 32.358 21.624 19.122 1.00 0.00 O ATOM 643 CB GLN A 41 32.579 24.592 18.919 1.00 0.00 C ATOM 644 CG GLN A 41 33.052 25.996 18.564 1.00 0.00 C ATOM 645 CD GLN A 41 31.919 26.795 17.953 1.00 0.00 C ATOM 646 OE1 GLN A 41 30.786 26.644 18.389 1.00 0.00 O ATOM 647 NE2 GLN A 41 32.167 27.486 16.845 1.00 0.00 N ATOM 0 H GLN A 41 34.418 23.673 17.673 1.00 0.00 H new ATOM 0 HA GLN A 41 33.995 23.994 20.526 1.00 0.00 H new ATOM 0 HB2 GLN A 41 32.231 24.118 18.001 1.00 0.00 H new ATOM 0 HB3 GLN A 41 31.714 24.690 19.575 1.00 0.00 H new ATOM 0 HG2 GLN A 41 33.420 26.500 19.458 1.00 0.00 H new ATOM 0 HG3 GLN A 41 33.885 25.940 17.864 1.00 0.00 H new ATOM 0 HE21 GLN A 41 33.126 27.590 16.513 1.00 0.00 H new ATOM 0 HE22 GLN A 41 31.399 27.912 16.327 1.00 0.00 H new ATOM 656 N ARG A 42 32.653 22.127 21.283 1.00 0.00 N ATOM 657 CA ARG A 42 31.695 21.242 21.910 1.00 0.00 C ATOM 658 C ARG A 42 30.610 22.162 22.466 1.00 0.00 C ATOM 659 O ARG A 42 31.008 22.972 23.307 1.00 0.00 O ATOM 660 CB ARG A 42 32.289 20.462 23.078 1.00 0.00 C ATOM 661 CG ARG A 42 33.455 19.518 22.802 1.00 0.00 C ATOM 662 CD ARG A 42 33.735 18.585 23.987 1.00 0.00 C ATOM 663 NE ARG A 42 34.785 19.139 24.834 1.00 0.00 N ATOM 664 CZ ARG A 42 35.442 18.418 25.762 1.00 0.00 C ATOM 665 NH1 ARG A 42 35.059 17.154 25.923 1.00 0.00 N ATOM 666 NH2 ARG A 42 36.518 18.925 26.378 1.00 0.00 N ATOM 0 H ARG A 42 33.239 22.593 21.975 1.00 0.00 H new ATOM 0 HA ARG A 42 31.340 20.510 21.184 1.00 0.00 H new ATOM 0 HB2 ARG A 42 32.616 21.183 23.827 1.00 0.00 H new ATOM 0 HB3 ARG A 42 31.487 19.877 23.528 1.00 0.00 H new ATOM 0 HG2 ARG A 42 33.237 18.922 21.916 1.00 0.00 H new ATOM 0 HG3 ARG A 42 34.349 20.101 22.581 1.00 0.00 H new ATOM 0 HD2 ARG A 42 32.825 18.445 24.570 1.00 0.00 H new ATOM 0 HD3 ARG A 42 34.034 17.603 23.622 1.00 0.00 H new ATOM 0 HE ARG A 42 35.034 20.121 24.718 1.00 0.00 H new ATOM 0 HH11 ARG A 42 34.300 16.775 25.356 1.00 0.00 H new ATOM 0 HH12 ARG A 42 35.524 16.564 26.613 1.00 0.00 H new ATOM 0 HH21 ARG A 42 36.844 19.863 26.145 1.00 0.00 H new ATOM 0 HH22 ARG A 42 37.011 18.373 27.080 1.00 0.00 H new ATOM 680 N LEU A 43 29.349 22.054 22.055 1.00 0.00 N ATOM 681 CA LEU A 43 28.202 22.709 22.667 1.00 0.00 C ATOM 682 C LEU A 43 27.644 21.811 23.770 1.00 0.00 C ATOM 683 O LEU A 43 27.283 20.667 23.514 1.00 0.00 O ATOM 684 CB LEU A 43 27.062 22.813 21.662 1.00 0.00 C ATOM 685 CG LEU A 43 27.500 23.857 20.633 1.00 0.00 C ATOM 686 CD1 LEU A 43 26.485 23.858 19.486 1.00 0.00 C ATOM 687 CD2 LEU A 43 27.617 25.275 21.212 1.00 0.00 C ATOM 0 H LEU A 43 29.090 21.482 21.251 1.00 0.00 H new ATOM 0 HA LEU A 43 28.530 23.684 23.027 1.00 0.00 H new ATOM 0 HB2 LEU A 43 26.873 21.851 21.186 1.00 0.00 H new ATOM 0 HB3 LEU A 43 26.136 23.113 22.152 1.00 0.00 H new ATOM 0 HG LEU A 43 28.497 23.581 20.290 1.00 0.00 H new ATOM 0 HD11 LEU A 43 26.779 24.597 18.740 1.00 0.00 H new ATOM 0 HD12 LEU A 43 26.455 22.870 19.026 1.00 0.00 H new ATOM 0 HD13 LEU A 43 25.498 24.108 19.874 1.00 0.00 H new ATOM 0 HD21 LEU A 43 27.931 25.963 20.428 1.00 0.00 H new ATOM 0 HD22 LEU A 43 26.650 25.589 21.604 1.00 0.00 H new ATOM 0 HD23 LEU A 43 28.353 25.280 22.016 1.00 0.00 H new ATOM 699 N ILE A 44 27.597 22.285 25.007 1.00 0.00 N ATOM 700 CA ILE A 44 27.160 21.567 26.192 1.00 0.00 C ATOM 701 C ILE A 44 25.888 22.153 26.798 1.00 0.00 C ATOM 702 O ILE A 44 25.720 23.373 26.879 1.00 0.00 O ATOM 703 CB ILE A 44 28.297 21.749 27.205 1.00 0.00 C ATOM 704 CG1 ILE A 44 29.674 21.659 26.544 1.00 0.00 C ATOM 705 CG2 ILE A 44 28.288 20.764 28.381 1.00 0.00 C ATOM 706 CD1 ILE A 44 30.042 20.258 26.039 1.00 0.00 C ATOM 0 H ILE A 44 27.881 23.241 25.221 1.00 0.00 H new ATOM 0 HA ILE A 44 26.943 20.529 25.940 1.00 0.00 H new ATOM 0 HB ILE A 44 28.111 22.747 27.602 1.00 0.00 H new ATOM 0 HG12 ILE A 44 29.708 22.355 25.706 1.00 0.00 H new ATOM 0 HG13 ILE A 44 30.429 21.985 27.259 1.00 0.00 H new ATOM 0 HG21 ILE A 44 29.131 20.976 29.039 1.00 0.00 H new ATOM 0 HG22 ILE A 44 27.357 20.870 28.938 1.00 0.00 H new ATOM 0 HG23 ILE A 44 28.370 19.745 28.003 1.00 0.00 H new ATOM 0 HD11 ILE A 44 31.033 20.283 25.585 1.00 0.00 H new ATOM 0 HD12 ILE A 44 30.044 19.559 26.875 1.00 0.00 H new ATOM 0 HD13 ILE A 44 29.311 19.935 25.298 1.00 0.00 H new ATOM 718 N PHE A 45 24.965 21.277 27.155 1.00 0.00 N ATOM 719 CA PHE A 45 23.660 21.530 27.744 1.00 0.00 C ATOM 720 C PHE A 45 23.293 20.369 28.661 1.00 0.00 C ATOM 721 O PHE A 45 23.140 19.253 28.163 1.00 0.00 O ATOM 722 CB PHE A 45 22.797 21.774 26.503 1.00 0.00 C ATOM 723 CG PHE A 45 21.421 22.260 26.923 1.00 0.00 C ATOM 724 CD1 PHE A 45 20.413 21.332 27.206 1.00 0.00 C ATOM 725 CD2 PHE A 45 21.158 23.577 27.305 1.00 0.00 C ATOM 726 CE1 PHE A 45 19.176 21.708 27.728 1.00 0.00 C ATOM 727 CE2 PHE A 45 19.870 23.956 27.670 1.00 0.00 C ATOM 728 CZ PHE A 45 18.821 23.055 27.893 1.00 0.00 C ATOM 0 H PHE A 45 25.125 20.278 27.028 1.00 0.00 H new ATOM 0 HA PHE A 45 23.558 22.381 28.417 1.00 0.00 H new ATOM 0 HB2 PHE A 45 23.272 22.512 25.857 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.707 20.855 25.924 1.00 0.00 H new ATOM 0 HD1 PHE A 45 20.600 20.286 27.013 1.00 0.00 H new ATOM 0 HD2 PHE A 45 21.957 24.304 27.317 1.00 0.00 H new ATOM 0 HE1 PHE A 45 18.471 20.941 28.013 1.00 0.00 H new ATOM 0 HE2 PHE A 45 19.666 25.010 27.789 1.00 0.00 H new ATOM 0 HZ PHE A 45 17.825 23.370 28.168 1.00 0.00 H new ATOM 738 N ALA A 46 23.218 20.634 29.963 1.00 0.00 N ATOM 739 CA ALA A 46 22.589 19.840 31.007 1.00 0.00 C ATOM 740 C ALA A 46 23.338 18.530 31.240 1.00 0.00 C ATOM 741 O ALA A 46 22.637 17.513 31.298 1.00 0.00 O ATOM 742 CB ALA A 46 21.088 19.697 30.741 1.00 0.00 C ATOM 0 H ALA A 46 23.633 21.484 30.344 1.00 0.00 H new ATOM 0 HA ALA A 46 22.663 20.363 31.960 1.00 0.00 H new ATOM 0 HB1 ALA A 46 20.634 19.100 31.532 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.626 20.684 30.721 1.00 0.00 H new ATOM 0 HB3 ALA A 46 20.934 19.205 29.781 1.00 0.00 H new ATOM 748 N GLY A 47 24.651 18.555 31.433 1.00 0.00 N ATOM 749 CA GLY A 47 25.304 17.317 31.777 1.00 0.00 C ATOM 750 C GLY A 47 25.865 16.478 30.628 1.00 0.00 C ATOM 751 O GLY A 47 26.260 15.334 30.876 1.00 0.00 O ATOM 0 H GLY A 47 25.251 19.377 31.361 1.00 0.00 H new ATOM 0 HA2 GLY A 47 26.123 17.546 32.459 1.00 0.00 H new ATOM 0 HA3 GLY A 47 24.593 16.702 32.328 1.00 0.00 H new ATOM 755 N LYS A 48 25.817 16.947 29.383 1.00 0.00 N ATOM 756 CA LYS A 48 25.933 16.076 28.228 1.00 0.00 C ATOM 757 C LYS A 48 26.308 16.980 27.054 1.00 0.00 C ATOM 758 O LYS A 48 26.036 18.169 27.090 1.00 0.00 O ATOM 759 CB LYS A 48 24.706 15.198 27.969 1.00 0.00 C ATOM 760 CG LYS A 48 23.441 15.978 27.651 1.00 0.00 C ATOM 761 CD LYS A 48 22.091 15.254 27.607 1.00 0.00 C ATOM 762 CE LYS A 48 20.949 16.227 27.317 1.00 0.00 C ATOM 763 NZ LYS A 48 19.674 15.509 27.467 1.00 0.00 N ATOM 0 H LYS A 48 25.698 17.934 29.153 1.00 0.00 H new ATOM 0 HA LYS A 48 26.705 15.326 28.400 1.00 0.00 H new ATOM 0 HB2 LYS A 48 24.923 14.525 27.140 1.00 0.00 H new ATOM 0 HB3 LYS A 48 24.526 14.576 28.846 1.00 0.00 H new ATOM 0 HG2 LYS A 48 23.358 16.777 28.388 1.00 0.00 H new ATOM 0 HG3 LYS A 48 23.587 16.453 26.681 1.00 0.00 H new ATOM 0 HD2 LYS A 48 22.116 14.480 26.840 1.00 0.00 H new ATOM 0 HD3 LYS A 48 21.913 14.754 28.559 1.00 0.00 H new ATOM 0 HE2 LYS A 48 20.990 17.074 28.002 1.00 0.00 H new ATOM 0 HE3 LYS A 48 21.041 16.629 26.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 18.885 16.158 27.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 19.642 14.715 26.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 19.592 15.146 28.438 1.00 0.00 H new ATOM 777 N GLN A 49 27.135 16.465 26.141 1.00 0.00 N ATOM 778 CA GLN A 49 27.491 17.112 24.895 1.00 0.00 C ATOM 779 C GLN A 49 26.447 16.715 23.852 1.00 0.00 C ATOM 780 O GLN A 49 26.005 15.582 23.685 1.00 0.00 O ATOM 781 CB GLN A 49 28.830 16.625 24.348 1.00 0.00 C ATOM 782 CG GLN A 49 29.367 17.484 23.203 1.00 0.00 C ATOM 783 CD GLN A 49 30.507 16.820 22.450 1.00 0.00 C ATOM 784 OE1 GLN A 49 31.110 17.383 21.535 1.00 0.00 O ATOM 785 NE2 GLN A 49 30.793 15.580 22.857 1.00 0.00 N ATOM 0 H GLN A 49 27.585 15.557 26.261 1.00 0.00 H new ATOM 0 HA GLN A 49 27.545 18.184 25.084 1.00 0.00 H new ATOM 0 HB2 GLN A 49 29.561 16.612 25.156 1.00 0.00 H new ATOM 0 HB3 GLN A 49 28.720 15.598 24.001 1.00 0.00 H new ATOM 0 HG2 GLN A 49 28.556 17.701 22.507 1.00 0.00 H new ATOM 0 HG3 GLN A 49 29.709 18.439 23.602 1.00 0.00 H new ATOM 0 HE21 GLN A 49 30.263 15.159 23.620 1.00 0.00 H new ATOM 0 HE22 GLN A 49 31.541 15.055 22.405 1.00 0.00 H new ATOM 794 N LEU A 50 26.067 17.682 23.019 1.00 0.00 N ATOM 795 CA LEU A 50 25.104 17.587 21.942 1.00 0.00 C ATOM 796 C LEU A 50 25.840 17.174 20.668 1.00 0.00 C ATOM 797 O LEU A 50 26.664 17.943 20.155 1.00 0.00 O ATOM 798 CB LEU A 50 24.489 18.980 21.804 1.00 0.00 C ATOM 799 CG LEU A 50 23.956 19.471 23.144 1.00 0.00 C ATOM 800 CD1 LEU A 50 23.040 20.670 22.856 1.00 0.00 C ATOM 801 CD2 LEU A 50 23.043 18.447 23.828 1.00 0.00 C ATOM 0 H LEU A 50 26.459 18.621 23.092 1.00 0.00 H new ATOM 0 HA LEU A 50 24.325 16.848 22.130 1.00 0.00 H new ATOM 0 HB2 LEU A 50 25.238 19.677 21.428 1.00 0.00 H new ATOM 0 HB3 LEU A 50 23.681 18.955 21.073 1.00 0.00 H new ATOM 0 HG LEU A 50 24.816 19.685 23.778 1.00 0.00 H new ATOM 0 HD11 LEU A 50 22.636 21.053 23.793 1.00 0.00 H new ATOM 0 HD12 LEU A 50 23.612 21.454 22.360 1.00 0.00 H new ATOM 0 HD13 LEU A 50 22.221 20.355 22.210 1.00 0.00 H new ATOM 0 HD21 LEU A 50 22.692 18.850 24.778 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.188 18.236 23.186 1.00 0.00 H new ATOM 0 HD23 LEU A 50 23.599 17.526 24.007 1.00 0.00 H new ATOM 813 N GLU A 51 25.633 15.999 20.094 1.00 0.00 N ATOM 814 CA GLU A 51 26.457 15.340 19.102 1.00 0.00 C ATOM 815 C GLU A 51 26.222 15.915 17.699 1.00 0.00 C ATOM 816 O GLU A 51 25.116 16.005 17.171 1.00 0.00 O ATOM 817 CB GLU A 51 26.121 13.847 19.179 1.00 0.00 C ATOM 818 CG GLU A 51 26.835 13.177 20.358 1.00 0.00 C ATOM 819 CD GLU A 51 26.224 11.931 20.969 1.00 0.00 C ATOM 820 OE1 GLU A 51 25.024 12.006 21.338 1.00 0.00 O ATOM 821 OE2 GLU A 51 26.864 10.860 21.056 1.00 0.00 O ATOM 0 H GLU A 51 24.815 15.438 20.333 1.00 0.00 H new ATOM 0 HA GLU A 51 27.516 15.503 19.303 1.00 0.00 H new ATOM 0 HB2 GLU A 51 25.044 13.719 19.283 1.00 0.00 H new ATOM 0 HB3 GLU A 51 26.412 13.358 18.249 1.00 0.00 H new ATOM 0 HG2 GLU A 51 27.844 12.924 20.032 1.00 0.00 H new ATOM 0 HG3 GLU A 51 26.932 13.919 21.150 1.00 0.00 H new ATOM 828 N ASP A 52 27.322 16.114 16.975 1.00 0.00 N ATOM 829 CA ASP A 52 27.469 16.187 15.533 1.00 0.00 C ATOM 830 C ASP A 52 26.738 15.096 14.762 1.00 0.00 C ATOM 831 O ASP A 52 27.033 13.925 14.994 1.00 0.00 O ATOM 832 CB ASP A 52 28.928 16.263 15.112 1.00 0.00 C ATOM 833 CG ASP A 52 29.883 17.135 15.922 1.00 0.00 C ATOM 834 OD1 ASP A 52 30.243 16.712 17.032 1.00 0.00 O ATOM 835 OD2 ASP A 52 30.439 18.160 15.462 1.00 0.00 O ATOM 0 H ASP A 52 28.222 16.240 17.438 1.00 0.00 H new ATOM 0 HA ASP A 52 26.977 17.120 15.259 1.00 0.00 H new ATOM 0 HB2 ASP A 52 29.325 15.248 15.115 1.00 0.00 H new ATOM 0 HB3 ASP A 52 28.956 16.614 14.080 1.00 0.00 H new ATOM 840 N GLY A 53 25.697 15.376 13.983 1.00 0.00 N ATOM 841 CA GLY A 53 24.812 14.467 13.283 1.00 0.00 C ATOM 842 C GLY A 53 23.344 14.601 13.684 1.00 0.00 C ATOM 843 O GLY A 53 22.494 14.062 12.976 1.00 0.00 O ATOM 0 H GLY A 53 25.431 16.346 13.813 1.00 0.00 H new ATOM 0 HA2 GLY A 53 24.903 14.641 12.211 1.00 0.00 H new ATOM 0 HA3 GLY A 53 25.137 13.443 13.469 1.00 0.00 H new ATOM 847 N ARG A 54 22.995 15.251 14.797 1.00 0.00 N ATOM 848 CA ARG A 54 21.648 15.367 15.319 1.00 0.00 C ATOM 849 C ARG A 54 21.211 16.794 15.024 1.00 0.00 C ATOM 850 O ARG A 54 21.968 17.651 14.545 1.00 0.00 O ATOM 851 CB ARG A 54 21.703 15.221 16.841 1.00 0.00 C ATOM 852 CG ARG A 54 22.124 13.855 17.383 1.00 0.00 C ATOM 853 CD ARG A 54 21.495 12.630 16.722 1.00 0.00 C ATOM 854 NE ARG A 54 22.001 11.397 17.336 1.00 0.00 N ATOM 855 CZ ARG A 54 22.122 10.173 16.813 1.00 0.00 C ATOM 856 NH1 ARG A 54 21.824 9.841 15.554 1.00 0.00 N ATOM 857 NH2 ARG A 54 22.572 9.228 17.656 1.00 0.00 N ATOM 0 H ARG A 54 23.682 15.730 15.379 1.00 0.00 H new ATOM 0 HA ARG A 54 20.983 14.619 14.887 1.00 0.00 H new ATOM 0 HB2 ARG A 54 22.393 15.969 17.230 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.717 15.457 17.242 1.00 0.00 H new ATOM 0 HG2 ARG A 54 23.207 13.772 17.292 1.00 0.00 H new ATOM 0 HG3 ARG A 54 21.890 13.825 18.447 1.00 0.00 H new ATOM 0 HD2 ARG A 54 20.410 12.673 16.820 1.00 0.00 H new ATOM 0 HD3 ARG A 54 21.719 12.630 15.655 1.00 0.00 H new ATOM 0 HE ARG A 54 22.305 11.487 18.305 1.00 0.00 H new ATOM 0 HH11 ARG A 54 21.473 10.549 14.909 1.00 0.00 H new ATOM 0 HH12 ARG A 54 21.947 8.879 15.237 1.00 0.00 H new ATOM 0 HH21 ARG A 54 22.795 9.470 18.622 1.00 0.00 H new ATOM 0 HH22 ARG A 54 22.691 8.269 17.330 1.00 0.00 H new ATOM 871 N THR A 55 19.984 17.158 15.373 1.00 0.00 N ATOM 872 CA THR A 55 19.391 18.475 15.254 1.00 0.00 C ATOM 873 C THR A 55 19.201 19.055 16.665 1.00 0.00 C ATOM 874 O THR A 55 19.447 18.343 17.638 1.00 0.00 O ATOM 875 CB THR A 55 18.102 18.410 14.434 1.00 0.00 C ATOM 876 OG1 THR A 55 17.138 17.621 15.098 1.00 0.00 O ATOM 877 CG2 THR A 55 18.294 17.823 13.034 1.00 0.00 C ATOM 0 H THR A 55 19.332 16.486 15.777 1.00 0.00 H new ATOM 0 HA THR A 55 20.048 19.152 14.707 1.00 0.00 H new ATOM 0 HB THR A 55 17.774 19.444 14.329 1.00 0.00 H new ATOM 0 HG1 THR A 55 17.514 16.736 15.288 1.00 0.00 H new ATOM 0 HG21 THR A 55 17.338 17.808 12.511 1.00 0.00 H new ATOM 0 HG22 THR A 55 19.003 18.436 12.477 1.00 0.00 H new ATOM 0 HG23 THR A 55 18.679 16.806 13.115 1.00 0.00 H new ATOM 885 N LEU A 56 18.860 20.328 16.798 1.00 0.00 N ATOM 886 CA LEU A 56 18.692 20.831 18.146 1.00 0.00 C ATOM 887 C LEU A 56 17.381 20.310 18.739 1.00 0.00 C ATOM 888 O LEU A 56 17.276 20.152 19.955 1.00 0.00 O ATOM 889 CB LEU A 56 18.624 22.355 18.039 1.00 0.00 C ATOM 890 CG LEU A 56 19.946 23.111 18.051 1.00 0.00 C ATOM 891 CD1 LEU A 56 19.531 24.532 17.682 1.00 0.00 C ATOM 892 CD2 LEU A 56 20.719 23.110 19.367 1.00 0.00 C ATOM 0 H LEU A 56 18.703 20.993 16.041 1.00 0.00 H new ATOM 0 HA LEU A 56 19.513 20.508 18.787 1.00 0.00 H new ATOM 0 HB2 LEU A 56 18.099 22.606 17.117 1.00 0.00 H new ATOM 0 HB3 LEU A 56 18.015 22.725 18.864 1.00 0.00 H new ATOM 0 HG LEU A 56 20.649 22.629 17.371 1.00 0.00 H new ATOM 0 HD11 LEU A 56 20.412 25.174 17.660 1.00 0.00 H new ATOM 0 HD12 LEU A 56 19.059 24.530 16.700 1.00 0.00 H new ATOM 0 HD13 LEU A 56 18.826 24.909 18.423 1.00 0.00 H new ATOM 0 HD21 LEU A 56 21.640 23.680 19.248 1.00 0.00 H new ATOM 0 HD22 LEU A 56 20.109 23.565 20.148 1.00 0.00 H new ATOM 0 HD23 LEU A 56 20.960 22.084 19.646 1.00 0.00 H new ATOM 904 N SER A 57 16.328 20.169 17.944 1.00 0.00 N ATOM 905 CA SER A 57 15.036 19.614 18.265 1.00 0.00 C ATOM 906 C SER A 57 15.124 18.210 18.871 1.00 0.00 C ATOM 907 O SER A 57 14.389 17.927 19.811 1.00 0.00 O ATOM 908 CB SER A 57 14.050 19.698 17.102 1.00 0.00 C ATOM 909 OG SER A 57 14.735 19.439 15.893 1.00 0.00 O ATOM 0 H SER A 57 16.369 20.471 16.971 1.00 0.00 H new ATOM 0 HA SER A 57 14.626 20.250 19.050 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.245 18.977 17.239 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.591 20.686 17.069 1.00 0.00 H new ATOM 0 HG SER A 57 15.432 18.768 16.049 1.00 0.00 H new ATOM 915 N ASP A 58 16.182 17.485 18.513 1.00 0.00 N ATOM 916 CA ASP A 58 16.627 16.255 19.135 1.00 0.00 C ATOM 917 C ASP A 58 16.968 16.317 20.623 1.00 0.00 C ATOM 918 O ASP A 58 16.969 15.276 21.287 1.00 0.00 O ATOM 919 CB ASP A 58 17.779 15.583 18.392 1.00 0.00 C ATOM 920 CG ASP A 58 17.428 14.997 17.034 1.00 0.00 C ATOM 921 OD1 ASP A 58 16.421 14.255 17.035 1.00 0.00 O ATOM 922 OD2 ASP A 58 18.175 15.236 16.059 1.00 0.00 O ATOM 0 H ASP A 58 16.781 17.763 17.736 1.00 0.00 H new ATOM 0 HA ASP A 58 15.724 15.649 19.057 1.00 0.00 H new ATOM 0 HB2 ASP A 58 18.577 16.313 18.258 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.178 14.786 19.020 1.00 0.00 H new ATOM 927 N TYR A 59 17.366 17.440 21.214 1.00 0.00 N ATOM 928 CA TYR A 59 17.898 17.531 22.564 1.00 0.00 C ATOM 929 C TYR A 59 16.997 18.460 23.372 1.00 0.00 C ATOM 930 O TYR A 59 17.540 18.982 24.352 1.00 0.00 O ATOM 931 CB TYR A 59 19.401 17.804 22.506 1.00 0.00 C ATOM 932 CG TYR A 59 20.318 16.698 22.037 1.00 0.00 C ATOM 933 CD1 TYR A 59 20.560 15.576 22.839 1.00 0.00 C ATOM 934 CD2 TYR A 59 21.100 16.879 20.894 1.00 0.00 C ATOM 935 CE1 TYR A 59 21.579 14.674 22.491 1.00 0.00 C ATOM 936 CE2 TYR A 59 22.116 16.007 20.471 1.00 0.00 C ATOM 937 CZ TYR A 59 22.290 14.900 21.309 1.00 0.00 C ATOM 938 OH TYR A 59 23.312 14.060 20.962 1.00 0.00 O ATOM 0 H TYR A 59 17.324 18.345 20.745 1.00 0.00 H new ATOM 0 HA TYR A 59 17.864 16.598 23.126 1.00 0.00 H new ATOM 0 HB2 TYR A 59 19.557 18.663 21.853 1.00 0.00 H new ATOM 0 HB3 TYR A 59 19.723 18.100 23.504 1.00 0.00 H new ATOM 0 HD1 TYR A 59 19.964 15.404 23.723 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.909 17.754 20.291 1.00 0.00 H new ATOM 0 HE1 TYR A 59 21.807 13.827 23.121 1.00 0.00 H new ATOM 0 HE2 TYR A 59 22.707 16.175 19.583 1.00 0.00 H new ATOM 0 HH TYR A 59 23.452 13.403 21.675 1.00 0.00 H new ATOM 948 N ASN A 60 15.745 18.640 22.979 1.00 0.00 N ATOM 949 CA ASN A 60 14.724 19.343 23.743 1.00 0.00 C ATOM 950 C ASN A 60 14.870 20.856 23.633 1.00 0.00 C ATOM 951 O ASN A 60 14.112 21.553 24.307 1.00 0.00 O ATOM 952 CB ASN A 60 14.480 18.762 25.139 1.00 0.00 C ATOM 953 CG ASN A 60 14.106 17.289 25.178 1.00 0.00 C ATOM 954 OD1 ASN A 60 15.044 16.490 25.231 1.00 0.00 O ATOM 955 ND2 ASN A 60 12.842 16.886 25.310 1.00 0.00 N ATOM 0 H ASN A 60 15.399 18.288 22.087 1.00 0.00 H new ATOM 0 HA ASN A 60 13.763 19.146 23.269 1.00 0.00 H new ATOM 0 HB2 ASN A 60 15.380 18.906 25.736 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.685 19.334 25.618 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.634 15.898 25.458 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.083 17.565 25.263 1.00 0.00 H new ATOM 962 N ILE A 61 15.713 21.407 22.753 1.00 0.00 N ATOM 963 CA ILE A 61 16.169 22.765 22.916 1.00 0.00 C ATOM 964 C ILE A 61 15.105 23.770 22.480 1.00 0.00 C ATOM 965 O ILE A 61 14.690 23.751 21.319 1.00 0.00 O ATOM 966 CB ILE A 61 17.440 23.037 22.100 1.00 0.00 C ATOM 967 CG1 ILE A 61 18.639 22.137 22.424 1.00 0.00 C ATOM 968 CG2 ILE A 61 17.861 24.501 22.251 1.00 0.00 C ATOM 969 CD1 ILE A 61 19.101 22.091 23.884 1.00 0.00 C ATOM 0 H ILE A 61 16.083 20.927 21.932 1.00 0.00 H new ATOM 0 HA ILE A 61 16.380 22.887 23.978 1.00 0.00 H new ATOM 0 HB ILE A 61 17.161 22.802 21.073 1.00 0.00 H new ATOM 0 HG12 ILE A 61 18.393 21.121 22.115 1.00 0.00 H new ATOM 0 HG13 ILE A 61 19.481 22.462 21.813 1.00 0.00 H new ATOM 0 HG21 ILE A 61 18.764 24.682 21.668 1.00 0.00 H new ATOM 0 HG22 ILE A 61 17.061 25.149 21.892 1.00 0.00 H new ATOM 0 HG23 ILE A 61 18.058 24.716 23.301 1.00 0.00 H new ATOM 0 HD11 ILE A 61 19.954 21.419 23.975 1.00 0.00 H new ATOM 0 HD12 ILE A 61 19.391 23.091 24.205 1.00 0.00 H new ATOM 0 HD13 ILE A 61 18.287 21.730 24.512 1.00 0.00 H new ATOM 981 N GLN A 62 14.695 24.631 23.405 1.00 0.00 N ATOM 982 CA GLN A 62 13.750 25.675 23.062 1.00 0.00 C ATOM 983 C GLN A 62 14.438 27.045 22.993 1.00 0.00 C ATOM 984 O GLN A 62 15.660 27.173 22.978 1.00 0.00 O ATOM 985 CB GLN A 62 12.614 25.684 24.085 1.00 0.00 C ATOM 986 CG GLN A 62 11.876 24.342 24.185 1.00 0.00 C ATOM 987 CD GLN A 62 11.188 23.862 22.911 1.00 0.00 C ATOM 988 OE1 GLN A 62 11.161 22.655 22.667 1.00 0.00 O ATOM 989 NE2 GLN A 62 10.535 24.717 22.135 1.00 0.00 N ATOM 0 H GLN A 62 14.998 24.625 24.379 1.00 0.00 H new ATOM 0 HA GLN A 62 13.340 25.470 22.073 1.00 0.00 H new ATOM 0 HB2 GLN A 62 13.018 25.942 25.064 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.901 26.464 23.819 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.589 23.580 24.498 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.126 24.420 24.972 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.561 25.716 22.342 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.007 24.376 21.332 1.00 0.00 H new ATOM 998 N LYS A 63 13.601 28.045 22.735 1.00 0.00 N ATOM 999 CA LYS A 63 13.937 29.445 22.570 1.00 0.00 C ATOM 1000 C LYS A 63 14.374 30.051 23.905 1.00 0.00 C ATOM 1001 O LYS A 63 13.757 29.818 24.946 1.00 0.00 O ATOM 1002 CB LYS A 63 12.760 30.222 21.987 1.00 0.00 C ATOM 1003 CG LYS A 63 13.038 31.580 21.346 1.00 0.00 C ATOM 1004 CD LYS A 63 11.793 32.454 21.184 1.00 0.00 C ATOM 1005 CE LYS A 63 10.830 32.176 20.022 1.00 0.00 C ATOM 1006 NZ LYS A 63 9.876 33.289 19.903 1.00 0.00 N ATOM 0 H LYS A 63 12.600 27.881 22.629 1.00 0.00 H new ATOM 0 HA LYS A 63 14.769 29.515 21.869 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.283 29.591 21.237 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.033 30.373 22.785 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.769 32.115 21.953 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.490 31.423 20.367 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.220 32.384 22.109 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.127 33.488 21.093 1.00 0.00 H new ATOM 0 HE2 LYS A 63 11.388 32.059 19.093 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.296 31.241 20.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.222 33.103 19.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.336 33.380 20.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.394 34.172 19.721 1.00 0.00 H new ATOM 1020 N GLU A 64 15.557 30.637 23.785 1.00 0.00 N ATOM 1021 CA GLU A 64 16.375 31.274 24.798 1.00 0.00 C ATOM 1022 C GLU A 64 16.828 30.345 25.913 1.00 0.00 C ATOM 1023 O GLU A 64 17.152 30.791 27.010 1.00 0.00 O ATOM 1024 CB GLU A 64 15.639 32.545 25.251 1.00 0.00 C ATOM 1025 CG GLU A 64 15.787 33.733 24.304 1.00 0.00 C ATOM 1026 CD GLU A 64 15.244 35.104 24.691 1.00 0.00 C ATOM 1027 OE1 GLU A 64 14.649 35.248 25.785 1.00 0.00 O ATOM 1028 OE2 GLU A 64 15.336 36.023 23.851 1.00 0.00 O ATOM 0 H GLU A 64 16.013 30.680 22.874 1.00 0.00 H new ATOM 0 HA GLU A 64 17.336 31.562 24.373 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.579 32.316 25.363 1.00 0.00 H new ATOM 0 HB3 GLU A 64 16.009 32.833 26.235 1.00 0.00 H new ATOM 0 HG2 GLU A 64 16.852 33.854 24.103 1.00 0.00 H new ATOM 0 HG3 GLU A 64 15.315 33.454 23.362 1.00 0.00 H new ATOM 1035 N SER A 65 16.997 29.056 25.618 1.00 0.00 N ATOM 1036 CA SER A 65 17.861 28.104 26.282 1.00 0.00 C ATOM 1037 C SER A 65 19.333 28.499 26.178 1.00 0.00 C ATOM 1038 O SER A 65 19.741 28.761 25.045 1.00 0.00 O ATOM 1039 CB SER A 65 17.742 26.695 25.692 1.00 0.00 C ATOM 1040 OG SER A 65 16.525 26.053 25.966 1.00 0.00 O ATOM 0 H SER A 65 16.489 28.625 24.846 1.00 0.00 H new ATOM 0 HA SER A 65 17.532 28.108 27.321 1.00 0.00 H new ATOM 0 HB2 SER A 65 17.872 26.755 24.611 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.557 26.083 26.078 1.00 0.00 H new ATOM 0 HG SER A 65 16.525 25.163 25.556 1.00 0.00 H new ATOM 1046 N THR A 66 20.093 28.596 27.258 1.00 0.00 N ATOM 1047 CA THR A 66 21.524 28.832 27.304 1.00 0.00 C ATOM 1048 C THR A 66 22.210 27.486 27.102 1.00 0.00 C ATOM 1049 O THR A 66 22.082 26.531 27.869 1.00 0.00 O ATOM 1050 CB THR A 66 21.988 29.450 28.624 1.00 0.00 C ATOM 1051 OG1 THR A 66 21.513 28.683 29.708 1.00 0.00 O ATOM 1052 CG2 THR A 66 21.355 30.785 28.986 1.00 0.00 C ATOM 0 H THR A 66 19.694 28.505 28.192 1.00 0.00 H new ATOM 0 HA THR A 66 21.784 29.548 26.524 1.00 0.00 H new ATOM 0 HB THR A 66 23.066 29.522 28.477 1.00 0.00 H new ATOM 0 HG1 THR A 66 21.568 27.731 29.484 1.00 0.00 H new ATOM 0 HG21 THR A 66 21.755 31.131 29.939 1.00 0.00 H new ATOM 0 HG22 THR A 66 21.581 31.517 28.210 1.00 0.00 H new ATOM 0 HG23 THR A 66 20.275 30.665 29.068 1.00 0.00 H new ATOM 1060 N LEU A 67 22.994 27.472 26.028 1.00 0.00 N ATOM 1061 CA LEU A 67 24.066 26.510 25.866 1.00 0.00 C ATOM 1062 C LEU A 67 25.322 27.113 26.478 1.00 0.00 C ATOM 1063 O LEU A 67 25.492 28.332 26.349 1.00 0.00 O ATOM 1064 CB LEU A 67 24.269 26.297 24.359 1.00 0.00 C ATOM 1065 CG LEU A 67 23.070 25.931 23.482 1.00 0.00 C ATOM 1066 CD1 LEU A 67 23.554 25.745 22.040 1.00 0.00 C ATOM 1067 CD2 LEU A 67 22.535 24.551 23.850 1.00 0.00 C ATOM 0 H LEU A 67 22.900 28.127 25.251 1.00 0.00 H new ATOM 0 HA LEU A 67 23.841 25.559 26.349 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.702 27.212 23.955 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.015 25.511 24.238 1.00 0.00 H new ATOM 0 HG LEU A 67 22.324 26.715 23.608 1.00 0.00 H new ATOM 0 HD11 LEU A 67 22.709 25.484 21.403 1.00 0.00 H new ATOM 0 HD12 LEU A 67 24.003 26.672 21.684 1.00 0.00 H new ATOM 0 HD13 LEU A 67 24.295 24.946 22.005 1.00 0.00 H new ATOM 0 HD21 LEU A 67 21.683 24.310 23.215 1.00 0.00 H new ATOM 0 HD22 LEU A 67 23.318 23.807 23.705 1.00 0.00 H new ATOM 0 HD23 LEU A 67 22.221 24.549 24.894 1.00 0.00 H new ATOM 1079 N HIS A 68 26.273 26.285 26.911 1.00 0.00 N ATOM 1080 CA HIS A 68 27.599 26.735 27.294 1.00 0.00 C ATOM 1081 C HIS A 68 28.619 26.053 26.384 1.00 0.00 C ATOM 1082 O HIS A 68 28.477 24.893 26.004 1.00 0.00 O ATOM 1083 CB HIS A 68 27.901 26.630 28.791 1.00 0.00 C ATOM 1084 CG HIS A 68 27.777 25.299 29.472 1.00 0.00 C ATOM 1085 ND1 HIS A 68 26.526 24.728 29.709 1.00 0.00 N ATOM 1086 CD2 HIS A 68 28.740 24.429 29.889 1.00 0.00 C ATOM 1087 CE1 HIS A 68 26.812 23.523 30.223 1.00 0.00 C ATOM 1088 NE2 HIS A 68 28.122 23.313 30.410 1.00 0.00 N ATOM 0 H HIS A 68 26.138 25.278 27.004 1.00 0.00 H new ATOM 0 HA HIS A 68 27.662 27.812 27.139 1.00 0.00 H new ATOM 0 HB2 HIS A 68 28.920 26.984 28.945 1.00 0.00 H new ATOM 0 HB3 HIS A 68 27.240 27.326 29.308 1.00 0.00 H new ATOM 0 HD2 HIS A 68 29.806 24.587 29.822 1.00 0.00 H new ATOM 0 HE1 HIS A 68 26.057 22.790 30.464 1.00 0.00 H new ATOM 0 HE2 HIS A 68 28.565 22.503 30.844 1.00 0.00 H new ATOM 1096 N LEU A 69 29.631 26.801 25.965 1.00 0.00 N ATOM 1097 CA LEU A 69 30.543 26.419 24.901 1.00 0.00 C ATOM 1098 C LEU A 69 31.948 26.170 25.460 1.00 0.00 C ATOM 1099 O LEU A 69 32.550 26.942 26.192 1.00 0.00 O ATOM 1100 CB LEU A 69 30.532 27.470 23.779 1.00 0.00 C ATOM 1101 CG LEU A 69 31.608 27.568 22.706 1.00 0.00 C ATOM 1102 CD1 LEU A 69 31.576 26.308 21.839 1.00 0.00 C ATOM 1103 CD2 LEU A 69 31.467 28.881 21.926 1.00 0.00 C ATOM 0 H LEU A 69 29.844 27.714 26.368 1.00 0.00 H new ATOM 0 HA LEU A 69 30.206 25.480 24.461 1.00 0.00 H new ATOM 0 HB2 LEU A 69 29.585 27.347 23.253 1.00 0.00 H new ATOM 0 HB3 LEU A 69 30.500 28.442 24.270 1.00 0.00 H new ATOM 0 HG LEU A 69 32.601 27.607 23.155 1.00 0.00 H new ATOM 0 HD11 LEU A 69 32.346 26.376 21.070 1.00 0.00 H new ATOM 0 HD12 LEU A 69 31.762 25.433 22.462 1.00 0.00 H new ATOM 0 HD13 LEU A 69 30.598 26.216 21.367 1.00 0.00 H new ATOM 0 HD21 LEU A 69 32.243 28.936 21.163 1.00 0.00 H new ATOM 0 HD22 LEU A 69 30.487 28.918 21.450 1.00 0.00 H new ATOM 0 HD23 LEU A 69 31.570 29.723 22.610 1.00 0.00 H new ATOM 1115 N VAL A 70 32.486 25.037 25.029 1.00 0.00 N ATOM 1116 CA VAL A 70 33.852 24.761 25.424 1.00 0.00 C ATOM 1117 C VAL A 70 34.684 24.367 24.198 1.00 0.00 C ATOM 1118 O VAL A 70 34.212 23.590 23.370 1.00 0.00 O ATOM 1119 CB VAL A 70 33.973 23.805 26.611 1.00 0.00 C ATOM 1120 CG1 VAL A 70 33.078 24.291 27.749 1.00 0.00 C ATOM 1121 CG2 VAL A 70 33.725 22.346 26.236 1.00 0.00 C ATOM 0 H VAL A 70 32.030 24.337 24.444 1.00 0.00 H new ATOM 0 HA VAL A 70 34.280 25.683 25.818 1.00 0.00 H new ATOM 0 HB VAL A 70 35.007 23.820 26.957 1.00 0.00 H new ATOM 0 HG11 VAL A 70 33.164 23.610 28.596 1.00 0.00 H new ATOM 0 HG12 VAL A 70 33.388 25.290 28.054 1.00 0.00 H new ATOM 0 HG13 VAL A 70 32.042 24.320 27.410 1.00 0.00 H new ATOM 0 HG21 VAL A 70 33.826 21.720 27.123 1.00 0.00 H new ATOM 0 HG22 VAL A 70 32.719 22.241 25.830 1.00 0.00 H new ATOM 0 HG23 VAL A 70 34.453 22.034 25.487 1.00 0.00 H new ATOM 1131 N LEU A 71 35.857 24.988 24.114 1.00 0.00 N ATOM 1132 CA LEU A 71 36.741 24.768 22.989 1.00 0.00 C ATOM 1133 C LEU A 71 37.740 23.678 23.394 1.00 0.00 C ATOM 1134 O LEU A 71 38.269 23.613 24.493 1.00 0.00 O ATOM 1135 CB LEU A 71 37.483 26.023 22.534 1.00 0.00 C ATOM 1136 CG LEU A 71 36.600 26.774 21.535 1.00 0.00 C ATOM 1137 CD1 LEU A 71 35.756 27.882 22.168 1.00 0.00 C ATOM 1138 CD2 LEU A 71 37.478 27.242 20.379 1.00 0.00 C ATOM 0 H LEU A 71 36.210 25.643 24.811 1.00 0.00 H new ATOM 0 HA LEU A 71 36.135 24.466 22.134 1.00 0.00 H new ATOM 0 HB2 LEU A 71 37.712 26.659 23.389 1.00 0.00 H new ATOM 0 HB3 LEU A 71 38.433 25.755 22.073 1.00 0.00 H new ATOM 0 HG LEU A 71 35.843 26.093 21.146 1.00 0.00 H new ATOM 0 HD11 LEU A 71 35.157 28.368 21.398 1.00 0.00 H new ATOM 0 HD12 LEU A 71 35.097 27.452 22.922 1.00 0.00 H new ATOM 0 HD13 LEU A 71 36.412 28.617 22.636 1.00 0.00 H new ATOM 0 HD21 LEU A 71 36.868 27.781 19.654 1.00 0.00 H new ATOM 0 HD22 LEU A 71 38.258 27.902 20.759 1.00 0.00 H new ATOM 0 HD23 LEU A 71 37.936 26.378 19.897 1.00 0.00 H new ATOM 1150 N ARG A 72 37.957 22.705 22.517 1.00 0.00 N ATOM 1151 CA ARG A 72 38.728 21.493 22.702 1.00 0.00 C ATOM 1152 C ARG A 72 39.816 21.409 21.625 1.00 0.00 C ATOM 1153 O ARG A 72 39.322 21.322 20.493 1.00 0.00 O ATOM 1154 CB ARG A 72 37.852 20.248 22.763 1.00 0.00 C ATOM 1155 CG ARG A 72 38.550 18.906 22.966 1.00 0.00 C ATOM 1156 CD ARG A 72 37.576 17.732 22.895 1.00 0.00 C ATOM 1157 NE ARG A 72 36.700 17.739 21.722 1.00 0.00 N ATOM 1158 CZ ARG A 72 35.752 16.831 21.477 1.00 0.00 C ATOM 1159 NH1 ARG A 72 35.592 15.776 22.293 1.00 0.00 N ATOM 1160 NH2 ARG A 72 34.855 17.044 20.499 1.00 0.00 N ATOM 0 H ARG A 72 37.561 22.754 21.578 1.00 0.00 H new ATOM 0 HA ARG A 72 39.218 21.536 23.675 1.00 0.00 H new ATOM 0 HB2 ARG A 72 37.135 20.380 23.573 1.00 0.00 H new ATOM 0 HB3 ARG A 72 37.280 20.193 21.837 1.00 0.00 H new ATOM 0 HG2 ARG A 72 39.322 18.782 22.207 1.00 0.00 H new ATOM 0 HG3 ARG A 72 39.051 18.902 23.934 1.00 0.00 H new ATOM 0 HD2 ARG A 72 38.146 16.803 22.901 1.00 0.00 H new ATOM 0 HD3 ARG A 72 36.959 17.734 23.793 1.00 0.00 H new ATOM 0 HE ARG A 72 36.823 18.491 21.044 1.00 0.00 H new ATOM 0 HH11 ARG A 72 36.197 15.664 23.107 1.00 0.00 H new ATOM 0 HH12 ARG A 72 34.866 15.087 22.099 1.00 0.00 H new ATOM 0 HH21 ARG A 72 34.899 17.899 19.944 1.00 0.00 H new ATOM 0 HH22 ARG A 72 34.131 16.351 20.311 1.00 0.00 H new ATOM 1174 N LEU A 73 41.117 21.363 21.901 1.00 0.00 N ATOM 1175 CA LEU A 73 42.125 21.094 20.891 1.00 0.00 C ATOM 1176 C LEU A 73 42.548 19.638 21.141 1.00 0.00 C ATOM 1177 O LEU A 73 42.729 19.225 22.281 1.00 0.00 O ATOM 1178 CB LEU A 73 43.316 22.040 20.940 1.00 0.00 C ATOM 1179 CG LEU A 73 43.218 23.373 20.193 1.00 0.00 C ATOM 1180 CD1 LEU A 73 43.203 23.178 18.667 1.00 0.00 C ATOM 1181 CD2 LEU A 73 41.896 24.090 20.460 1.00 0.00 C ATOM 0 H LEU A 73 41.498 21.512 22.835 1.00 0.00 H new ATOM 0 HA LEU A 73 41.717 21.252 19.893 1.00 0.00 H new ATOM 0 HB2 LEU A 73 43.522 22.261 21.987 1.00 0.00 H new ATOM 0 HB3 LEU A 73 44.182 21.504 20.551 1.00 0.00 H new ATOM 0 HG LEU A 73 44.083 23.936 20.544 1.00 0.00 H new ATOM 0 HD11 LEU A 73 43.133 24.149 18.177 1.00 0.00 H new ATOM 0 HD12 LEU A 73 44.121 22.680 18.355 1.00 0.00 H new ATOM 0 HD13 LEU A 73 42.345 22.567 18.387 1.00 0.00 H new ATOM 0 HD21 LEU A 73 41.874 25.030 19.908 1.00 0.00 H new ATOM 0 HD22 LEU A 73 41.068 23.459 20.136 1.00 0.00 H new ATOM 0 HD23 LEU A 73 41.801 24.293 21.527 1.00 0.00 H new ATOM 1193 N ARG A 74 42.805 18.985 20.019 1.00 0.00 N ATOM 1194 CA ARG A 74 43.402 17.672 19.862 1.00 0.00 C ATOM 1195 C ARG A 74 42.279 16.641 19.950 1.00 0.00 C ATOM 1196 O ARG A 74 41.592 16.384 18.968 1.00 0.00 O ATOM 1197 CB ARG A 74 44.631 17.369 20.735 1.00 0.00 C ATOM 1198 CG ARG A 74 45.550 16.163 20.505 1.00 0.00 C ATOM 1199 CD ARG A 74 46.360 15.628 21.683 1.00 0.00 C ATOM 1200 NE ARG A 74 45.458 15.165 22.740 1.00 0.00 N ATOM 1201 CZ ARG A 74 45.168 13.871 22.966 1.00 0.00 C ATOM 1202 NH1 ARG A 74 45.512 12.925 22.081 1.00 0.00 N ATOM 1203 NH2 ARG A 74 44.533 13.430 24.060 1.00 0.00 N ATOM 0 H ARG A 74 42.580 19.400 19.115 1.00 0.00 H new ATOM 0 HA ARG A 74 43.868 17.628 18.878 1.00 0.00 H new ATOM 0 HB2 ARG A 74 45.266 18.253 20.690 1.00 0.00 H new ATOM 0 HB3 ARG A 74 44.269 17.289 21.760 1.00 0.00 H new ATOM 0 HG2 ARG A 74 44.936 15.346 20.127 1.00 0.00 H new ATOM 0 HG3 ARG A 74 46.251 16.427 19.713 1.00 0.00 H new ATOM 0 HD2 ARG A 74 46.999 14.809 21.354 1.00 0.00 H new ATOM 0 HD3 ARG A 74 47.016 16.408 22.069 1.00 0.00 H new ATOM 0 HE ARG A 74 45.024 15.866 23.341 1.00 0.00 H new ATOM 0 HH11 ARG A 74 46.000 13.182 21.223 1.00 0.00 H new ATOM 0 HH12 ARG A 74 45.286 11.948 22.265 1.00 0.00 H new ATOM 0 HH21 ARG A 74 44.240 14.090 24.781 1.00 0.00 H new ATOM 0 HH22 ARG A 74 44.342 12.434 24.172 1.00 0.00 H new ATOM 1217 N GLY A 75 42.060 16.044 21.122 1.00 0.00 N ATOM 1218 CA GLY A 75 40.929 15.235 21.514 1.00 0.00 C ATOM 1219 C GLY A 75 40.583 15.495 22.979 1.00 0.00 C ATOM 1220 O GLY A 75 41.060 16.499 23.518 1.00 0.00 O ATOM 0 H GLY A 75 42.736 16.128 21.881 1.00 0.00 H new ATOM 0 HA2 GLY A 75 40.071 15.465 20.883 1.00 0.00 H new ATOM 0 HA3 GLY A 75 41.158 14.179 21.368 1.00 0.00 H new ATOM 1224 N GLY A 76 39.764 14.732 23.695 1.00 0.00 N ATOM 1225 CA GLY A 76 39.222 14.945 25.017 1.00 0.00 C ATOM 1226 C GLY A 76 37.702 15.010 25.108 1.00 0.00 C ATOM 1227 O GLY A 76 37.028 14.527 24.178 1.00 0.00 O ATOM 1228 OXT GLY A 76 37.167 15.650 26.040 1.00 0.00 O ATOM 0 H GLY A 76 39.430 13.848 23.310 1.00 0.00 H new ATOM 0 HA2 GLY A 76 39.572 14.143 25.666 1.00 0.00 H new ATOM 0 HA3 GLY A 76 39.631 15.875 25.411 1.00 0.00 H new TER 1232 GLY A 76