USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot -81:sc= 0.918 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.00212 USER MOD Single : A 1 MET CE :methyl -161:sc= 0 (180deg=-0.07) USER MOD Single : A 1 MET N :NH3+ -179:sc= 2.25 (180deg=2.24) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.00842 USER MOD Single : A 14 THR OG1 : rot -64:sc= 0.35 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00573 USER MOD Single : A 25 ASN : amide:sc= 0.912 K(o=0.91,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 137:sc= 1.1 (180deg=-1.08!) USER MOD Single : A 29 LYS NZ :NH3+ -161:sc= 1.3 (180deg=1.09) USER MOD Single : A 31 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.57) USER MOD Single : A 33 LYS NZ :NH3+ 169:sc= 1.81 (180deg=1.26) USER MOD Single : A 40 GLN : amide:sc= -0.188! X(o=-0.19!,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.251 X(o=-0.25,f=-0.051) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 120:sc= 0.934 USER MOD Single : A 60 ASN : amide:sc= -0.0111 X(o=-0.011,f=-0.041) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 112:sc= 0.249 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 13.883 30.065 16.755 1.00 0.00 N ATOM 2 CA MET A 1 13.679 30.523 18.140 1.00 0.00 C ATOM 3 C MET A 1 14.978 31.092 18.708 1.00 0.00 C ATOM 4 O MET A 1 16.075 30.647 18.406 1.00 0.00 O ATOM 5 CB MET A 1 13.019 29.471 19.048 1.00 0.00 C ATOM 6 CG MET A 1 13.812 28.201 19.348 1.00 0.00 C ATOM 7 SD MET A 1 13.700 27.046 17.957 1.00 0.00 S ATOM 8 CE MET A 1 14.770 25.697 18.509 1.00 0.00 C ATOM 0 H1 MET A 1 12.988 29.696 16.376 1.00 0.00 H new ATOM 0 H2 MET A 1 14.205 30.862 16.170 1.00 0.00 H new ATOM 0 H3 MET A 1 14.601 29.313 16.740 1.00 0.00 H new ATOM 0 HA MET A 1 12.950 31.333 18.112 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.779 29.949 19.997 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.074 29.177 18.591 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.856 28.452 19.538 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.428 27.730 20.253 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.066 25.093 17.651 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.659 26.110 18.986 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.231 25.074 19.223 1.00 0.00 H new ATOM 20 N GLN A 2 14.768 32.107 19.543 1.00 0.00 N ATOM 21 CA GLN A 2 15.845 32.821 20.189 1.00 0.00 C ATOM 22 C GLN A 2 16.375 32.024 21.390 1.00 0.00 C ATOM 23 O GLN A 2 15.564 31.539 22.173 1.00 0.00 O ATOM 24 CB GLN A 2 15.269 34.188 20.579 1.00 0.00 C ATOM 25 CG GLN A 2 16.277 35.047 21.350 1.00 0.00 C ATOM 26 CD GLN A 2 15.829 36.506 21.364 1.00 0.00 C ATOM 27 OE1 GLN A 2 15.391 36.983 22.415 1.00 0.00 O ATOM 28 NE2 GLN A 2 16.100 37.143 20.232 1.00 0.00 N ATOM 0 H GLN A 2 13.839 32.452 19.786 1.00 0.00 H new ATOM 0 HA GLN A 2 16.706 32.956 19.535 1.00 0.00 H new ATOM 0 HB2 GLN A 2 14.957 34.718 19.679 1.00 0.00 H new ATOM 0 HB3 GLN A 2 14.377 34.043 21.189 1.00 0.00 H new ATOM 0 HG2 GLN A 2 16.372 34.679 22.372 1.00 0.00 H new ATOM 0 HG3 GLN A 2 17.261 34.966 20.889 1.00 0.00 H new ATOM 0 HE21 GLN A 2 16.461 36.626 19.430 1.00 0.00 H new ATOM 0 HE22 GLN A 2 15.947 38.149 20.164 1.00 0.00 H new ATOM 37 N ILE A 3 17.701 31.956 21.491 1.00 0.00 N ATOM 38 CA ILE A 3 18.505 31.398 22.557 1.00 0.00 C ATOM 39 C ILE A 3 19.547 32.421 23.006 1.00 0.00 C ATOM 40 O ILE A 3 19.657 33.427 22.315 1.00 0.00 O ATOM 41 CB ILE A 3 19.163 30.086 22.115 1.00 0.00 C ATOM 42 CG1 ILE A 3 20.088 30.279 20.918 1.00 0.00 C ATOM 43 CG2 ILE A 3 18.134 28.977 21.882 1.00 0.00 C ATOM 44 CD1 ILE A 3 21.168 29.212 20.708 1.00 0.00 C ATOM 0 H ILE A 3 18.291 32.331 20.748 1.00 0.00 H new ATOM 0 HA ILE A 3 17.860 31.167 23.405 1.00 0.00 H new ATOM 0 HB ILE A 3 19.793 29.757 22.941 1.00 0.00 H new ATOM 0 HG12 ILE A 3 19.475 30.326 20.018 1.00 0.00 H new ATOM 0 HG13 ILE A 3 20.580 31.246 21.020 1.00 0.00 H new ATOM 0 HG21 ILE A 3 18.645 28.066 21.570 1.00 0.00 H new ATOM 0 HG22 ILE A 3 17.587 28.788 22.806 1.00 0.00 H new ATOM 0 HG23 ILE A 3 17.436 29.286 21.104 1.00 0.00 H new ATOM 0 HD11 ILE A 3 21.759 29.461 19.827 1.00 0.00 H new ATOM 0 HD12 ILE A 3 21.818 29.175 21.582 1.00 0.00 H new ATOM 0 HD13 ILE A 3 20.696 28.240 20.565 1.00 0.00 H new ATOM 56 N PHE A 4 20.296 32.167 24.075 1.00 0.00 N ATOM 57 CA PHE A 4 21.424 32.930 24.590 1.00 0.00 C ATOM 58 C PHE A 4 22.676 32.049 24.515 1.00 0.00 C ATOM 59 O PHE A 4 22.588 30.830 24.595 1.00 0.00 O ATOM 60 CB PHE A 4 21.126 33.606 25.930 1.00 0.00 C ATOM 61 CG PHE A 4 20.119 34.723 25.883 1.00 0.00 C ATOM 62 CD1 PHE A 4 18.769 34.383 26.039 1.00 0.00 C ATOM 63 CD2 PHE A 4 20.372 36.070 25.592 1.00 0.00 C ATOM 64 CE1 PHE A 4 17.735 35.286 25.737 1.00 0.00 C ATOM 65 CE2 PHE A 4 19.376 37.047 25.526 1.00 0.00 C ATOM 66 CZ PHE A 4 18.040 36.631 25.513 1.00 0.00 C ATOM 0 H PHE A 4 20.110 31.348 24.653 1.00 0.00 H new ATOM 0 HA PHE A 4 21.626 33.799 23.964 1.00 0.00 H new ATOM 0 HB2 PHE A 4 20.770 32.848 26.628 1.00 0.00 H new ATOM 0 HB3 PHE A 4 22.059 33.998 26.334 1.00 0.00 H new ATOM 0 HD1 PHE A 4 18.515 33.398 26.402 1.00 0.00 H new ATOM 0 HD2 PHE A 4 21.393 36.369 25.409 1.00 0.00 H new ATOM 0 HE1 PHE A 4 16.713 34.943 25.679 1.00 0.00 H new ATOM 0 HE2 PHE A 4 19.630 38.096 25.486 1.00 0.00 H new ATOM 0 HZ PHE A 4 17.250 37.345 25.331 1.00 0.00 H new ATOM 76 N VAL A 5 23.869 32.631 24.408 1.00 0.00 N ATOM 77 CA VAL A 5 25.171 32.025 24.364 1.00 0.00 C ATOM 78 C VAL A 5 26.073 32.802 25.331 1.00 0.00 C ATOM 79 O VAL A 5 26.091 34.028 25.277 1.00 0.00 O ATOM 80 CB VAL A 5 25.678 31.541 22.999 1.00 0.00 C ATOM 81 CG1 VAL A 5 25.935 32.760 22.118 1.00 0.00 C ATOM 82 CG2 VAL A 5 26.962 30.714 23.084 1.00 0.00 C ATOM 0 H VAL A 5 23.939 33.647 24.344 1.00 0.00 H new ATOM 0 HA VAL A 5 25.150 31.004 24.745 1.00 0.00 H new ATOM 0 HB VAL A 5 24.910 30.890 22.582 1.00 0.00 H new ATOM 0 HG11 VAL A 5 26.296 32.434 21.143 1.00 0.00 H new ATOM 0 HG12 VAL A 5 25.009 33.320 21.993 1.00 0.00 H new ATOM 0 HG13 VAL A 5 26.684 33.397 22.588 1.00 0.00 H new ATOM 0 HG21 VAL A 5 27.263 30.405 22.083 1.00 0.00 H new ATOM 0 HG22 VAL A 5 27.753 31.316 23.531 1.00 0.00 H new ATOM 0 HG23 VAL A 5 26.786 29.831 23.698 1.00 0.00 H new ATOM 92 N LYS A 6 26.829 32.081 26.152 1.00 0.00 N ATOM 93 CA LYS A 6 28.043 32.657 26.715 1.00 0.00 C ATOM 94 C LYS A 6 29.149 32.370 25.712 1.00 0.00 C ATOM 95 O LYS A 6 29.420 31.228 25.337 1.00 0.00 O ATOM 96 CB LYS A 6 28.369 31.894 27.999 1.00 0.00 C ATOM 97 CG LYS A 6 27.410 32.293 29.127 1.00 0.00 C ATOM 98 CD LYS A 6 27.660 31.555 30.432 1.00 0.00 C ATOM 99 CE LYS A 6 26.549 31.482 31.493 1.00 0.00 C ATOM 100 NZ LYS A 6 26.656 30.184 32.173 1.00 0.00 N ATOM 0 H LYS A 6 26.630 31.122 26.436 1.00 0.00 H new ATOM 0 HA LYS A 6 27.937 33.723 26.918 1.00 0.00 H new ATOM 0 HB2 LYS A 6 28.299 30.821 27.818 1.00 0.00 H new ATOM 0 HB3 LYS A 6 29.396 32.100 28.299 1.00 0.00 H new ATOM 0 HG2 LYS A 6 27.497 33.365 29.304 1.00 0.00 H new ATOM 0 HG3 LYS A 6 26.386 32.106 28.804 1.00 0.00 H new ATOM 0 HD2 LYS A 6 27.936 30.531 30.179 1.00 0.00 H new ATOM 0 HD3 LYS A 6 28.530 32.013 30.903 1.00 0.00 H new ATOM 0 HE2 LYS A 6 26.652 32.297 32.209 1.00 0.00 H new ATOM 0 HE3 LYS A 6 25.569 31.589 31.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 25.914 30.109 32.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 26.541 29.418 31.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 27.589 30.105 32.625 1.00 0.00 H new ATOM 114 N THR A 7 29.740 33.433 25.190 1.00 0.00 N ATOM 115 CA THR A 7 30.952 33.607 24.406 1.00 0.00 C ATOM 116 C THR A 7 32.135 33.211 25.283 1.00 0.00 C ATOM 117 O THR A 7 32.049 33.306 26.508 1.00 0.00 O ATOM 118 CB THR A 7 31.127 35.024 23.856 1.00 0.00 C ATOM 119 OG1 THR A 7 31.476 35.948 24.859 1.00 0.00 O ATOM 120 CG2 THR A 7 29.941 35.504 23.031 1.00 0.00 C ATOM 0 H THR A 7 29.304 34.344 25.333 1.00 0.00 H new ATOM 0 HA THR A 7 30.886 32.969 23.525 1.00 0.00 H new ATOM 0 HB THR A 7 31.968 34.965 23.165 1.00 0.00 H new ATOM 0 HG1 THR A 7 30.670 36.225 25.344 1.00 0.00 H new ATOM 0 HG21 THR A 7 30.133 36.515 22.673 1.00 0.00 H new ATOM 0 HG22 THR A 7 29.797 34.839 22.180 1.00 0.00 H new ATOM 0 HG23 THR A 7 29.043 35.502 23.649 1.00 0.00 H new ATOM 128 N LEU A 8 33.300 32.948 24.703 1.00 0.00 N ATOM 129 CA LEU A 8 34.415 32.425 25.473 1.00 0.00 C ATOM 130 C LEU A 8 35.162 33.475 26.284 1.00 0.00 C ATOM 131 O LEU A 8 35.969 33.207 27.164 1.00 0.00 O ATOM 132 CB LEU A 8 35.378 31.706 24.527 1.00 0.00 C ATOM 133 CG LEU A 8 34.823 30.524 23.731 1.00 0.00 C ATOM 134 CD1 LEU A 8 35.827 30.038 22.682 1.00 0.00 C ATOM 135 CD2 LEU A 8 34.741 29.268 24.604 1.00 0.00 C ATOM 0 H LEU A 8 33.494 33.088 23.711 1.00 0.00 H new ATOM 0 HA LEU A 8 33.996 31.736 26.206 1.00 0.00 H new ATOM 0 HB2 LEU A 8 35.765 32.438 23.819 1.00 0.00 H new ATOM 0 HB3 LEU A 8 36.225 31.350 25.113 1.00 0.00 H new ATOM 0 HG LEU A 8 33.874 30.882 23.332 1.00 0.00 H new ATOM 0 HD11 LEU A 8 35.402 29.197 22.134 1.00 0.00 H new ATOM 0 HD12 LEU A 8 36.049 30.849 21.988 1.00 0.00 H new ATOM 0 HD13 LEU A 8 36.745 29.722 23.177 1.00 0.00 H new ATOM 0 HD21 LEU A 8 34.343 28.441 24.015 1.00 0.00 H new ATOM 0 HD22 LEU A 8 35.737 29.010 24.965 1.00 0.00 H new ATOM 0 HD23 LEU A 8 34.085 29.457 25.453 1.00 0.00 H new ATOM 147 N THR A 9 34.852 34.736 25.993 1.00 0.00 N ATOM 148 CA THR A 9 35.327 35.899 26.708 1.00 0.00 C ATOM 149 C THR A 9 34.364 36.305 27.824 1.00 0.00 C ATOM 150 O THR A 9 34.751 36.787 28.890 1.00 0.00 O ATOM 151 CB THR A 9 35.685 37.048 25.763 1.00 0.00 C ATOM 152 OG1 THR A 9 34.654 37.260 24.823 1.00 0.00 O ATOM 153 CG2 THR A 9 37.016 36.906 25.034 1.00 0.00 C ATOM 0 H THR A 9 34.235 34.977 25.217 1.00 0.00 H new ATOM 0 HA THR A 9 36.260 35.626 27.200 1.00 0.00 H new ATOM 0 HB THR A 9 35.799 37.911 26.419 1.00 0.00 H new ATOM 0 HG1 THR A 9 34.900 37.999 24.229 1.00 0.00 H new ATOM 0 HG21 THR A 9 37.173 37.772 24.391 1.00 0.00 H new ATOM 0 HG22 THR A 9 37.825 36.843 25.762 1.00 0.00 H new ATOM 0 HG23 THR A 9 37.003 36.001 24.427 1.00 0.00 H new ATOM 161 N GLY A 10 33.127 35.826 27.879 1.00 0.00 N ATOM 162 CA GLY A 10 32.269 35.933 29.048 1.00 0.00 C ATOM 163 C GLY A 10 30.998 36.737 28.741 1.00 0.00 C ATOM 164 O GLY A 10 30.080 36.739 29.558 1.00 0.00 O ATOM 0 H GLY A 10 32.686 35.343 27.096 1.00 0.00 H new ATOM 0 HA2 GLY A 10 31.996 34.936 29.392 1.00 0.00 H new ATOM 0 HA3 GLY A 10 32.816 36.412 29.860 1.00 0.00 H new ATOM 168 N LYS A 11 30.902 37.237 27.510 1.00 0.00 N ATOM 169 CA LYS A 11 29.897 38.145 26.998 1.00 0.00 C ATOM 170 C LYS A 11 28.720 37.323 26.470 1.00 0.00 C ATOM 171 O LYS A 11 28.942 36.239 25.940 1.00 0.00 O ATOM 172 CB LYS A 11 30.483 39.069 25.942 1.00 0.00 C ATOM 173 CG LYS A 11 29.530 40.192 25.516 1.00 0.00 C ATOM 174 CD LYS A 11 29.916 41.193 24.440 1.00 0.00 C ATOM 175 CE LYS A 11 28.812 42.202 24.128 1.00 0.00 C ATOM 176 NZ LYS A 11 29.313 42.939 22.961 1.00 0.00 N ATOM 0 H LYS A 11 31.585 36.993 26.793 1.00 0.00 H new ATOM 0 HA LYS A 11 29.536 38.793 27.797 1.00 0.00 H new ATOM 0 HB2 LYS A 11 31.403 39.510 26.326 1.00 0.00 H new ATOM 0 HB3 LYS A 11 30.754 38.481 25.065 1.00 0.00 H new ATOM 0 HG2 LYS A 11 28.605 39.716 25.190 1.00 0.00 H new ATOM 0 HG3 LYS A 11 29.294 40.765 26.413 1.00 0.00 H new ATOM 0 HD2 LYS A 11 30.810 41.730 24.757 1.00 0.00 H new ATOM 0 HD3 LYS A 11 30.174 40.654 23.528 1.00 0.00 H new ATOM 0 HE2 LYS A 11 27.868 41.703 23.908 1.00 0.00 H new ATOM 0 HE3 LYS A 11 28.632 42.868 24.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 28.615 43.656 22.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 30.210 43.406 23.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 29.470 42.278 22.174 1.00 0.00 H new ATOM 190 N THR A 12 27.494 37.717 26.807 1.00 0.00 N ATOM 191 CA THR A 12 26.355 37.174 26.104 1.00 0.00 C ATOM 192 C THR A 12 26.405 37.567 24.628 1.00 0.00 C ATOM 193 O THR A 12 26.672 38.723 24.320 1.00 0.00 O ATOM 194 CB THR A 12 25.007 37.563 26.722 1.00 0.00 C ATOM 195 OG1 THR A 12 25.097 37.808 28.111 1.00 0.00 O ATOM 196 CG2 THR A 12 23.975 36.461 26.477 1.00 0.00 C ATOM 0 H THR A 12 27.276 38.390 27.541 1.00 0.00 H new ATOM 0 HA THR A 12 26.426 36.090 26.197 1.00 0.00 H new ATOM 0 HB THR A 12 24.697 38.489 26.237 1.00 0.00 H new ATOM 0 HG1 THR A 12 24.214 38.054 28.458 1.00 0.00 H new ATOM 0 HG21 THR A 12 23.022 36.750 26.921 1.00 0.00 H new ATOM 0 HG22 THR A 12 23.846 36.315 25.405 1.00 0.00 H new ATOM 0 HG23 THR A 12 24.320 35.532 26.931 1.00 0.00 H new ATOM 204 N ILE A 13 25.892 36.630 23.830 1.00 0.00 N ATOM 205 CA ILE A 13 25.280 36.818 22.528 1.00 0.00 C ATOM 206 C ILE A 13 23.886 36.188 22.531 1.00 0.00 C ATOM 207 O ILE A 13 23.741 35.002 22.835 1.00 0.00 O ATOM 208 CB ILE A 13 26.203 36.721 21.319 1.00 0.00 C ATOM 209 CG1 ILE A 13 27.245 37.818 21.140 1.00 0.00 C ATOM 210 CG2 ILE A 13 25.472 36.317 20.038 1.00 0.00 C ATOM 211 CD1 ILE A 13 28.451 37.458 20.260 1.00 0.00 C ATOM 0 H ILE A 13 25.897 35.648 24.104 1.00 0.00 H new ATOM 0 HA ILE A 13 25.078 37.873 22.343 1.00 0.00 H new ATOM 0 HB ILE A 13 26.848 35.882 21.580 1.00 0.00 H new ATOM 0 HG12 ILE A 13 26.755 38.692 20.711 1.00 0.00 H new ATOM 0 HG13 ILE A 13 27.612 38.109 22.124 1.00 0.00 H new ATOM 0 HG21 ILE A 13 26.184 36.265 19.214 1.00 0.00 H new ATOM 0 HG22 ILE A 13 25.006 35.341 20.177 1.00 0.00 H new ATOM 0 HG23 ILE A 13 24.704 37.056 19.809 1.00 0.00 H new ATOM 0 HD11 ILE A 13 29.127 38.311 20.202 1.00 0.00 H new ATOM 0 HD12 ILE A 13 28.977 36.607 20.694 1.00 0.00 H new ATOM 0 HD13 ILE A 13 28.107 37.200 19.259 1.00 0.00 H new ATOM 223 N THR A 14 22.927 36.981 22.063 1.00 0.00 N ATOM 224 CA THR A 14 21.560 36.577 21.802 1.00 0.00 C ATOM 225 C THR A 14 21.626 35.961 20.407 1.00 0.00 C ATOM 226 O THR A 14 22.227 36.555 19.524 1.00 0.00 O ATOM 227 CB THR A 14 20.651 37.795 21.608 1.00 0.00 C ATOM 228 OG1 THR A 14 20.694 38.584 22.775 1.00 0.00 O ATOM 229 CG2 THR A 14 19.178 37.397 21.417 1.00 0.00 C ATOM 0 H THR A 14 23.094 37.964 21.848 1.00 0.00 H new ATOM 0 HA THR A 14 21.190 35.947 22.611 1.00 0.00 H new ATOM 0 HB THR A 14 21.007 38.322 20.723 1.00 0.00 H new ATOM 0 HG1 THR A 14 20.315 38.080 23.525 1.00 0.00 H new ATOM 0 HG21 THR A 14 18.573 38.294 21.283 1.00 0.00 H new ATOM 0 HG22 THR A 14 19.084 36.762 20.536 1.00 0.00 H new ATOM 0 HG23 THR A 14 18.831 36.853 22.296 1.00 0.00 H new ATOM 237 N LEU A 15 21.086 34.767 20.170 1.00 0.00 N ATOM 238 CA LEU A 15 21.184 34.033 18.925 1.00 0.00 C ATOM 239 C LEU A 15 19.863 33.408 18.466 1.00 0.00 C ATOM 240 O LEU A 15 19.126 32.990 19.360 1.00 0.00 O ATOM 241 CB LEU A 15 22.285 32.977 19.072 1.00 0.00 C ATOM 242 CG LEU A 15 22.612 32.282 17.755 1.00 0.00 C ATOM 243 CD1 LEU A 15 23.379 33.143 16.760 1.00 0.00 C ATOM 244 CD2 LEU A 15 23.546 31.102 18.041 1.00 0.00 C ATOM 0 H LEU A 15 20.545 34.269 20.877 1.00 0.00 H new ATOM 0 HA LEU A 15 21.438 34.742 18.137 1.00 0.00 H new ATOM 0 HB2 LEU A 15 23.186 33.449 19.463 1.00 0.00 H new ATOM 0 HB3 LEU A 15 21.973 32.232 19.804 1.00 0.00 H new ATOM 0 HG LEU A 15 21.646 32.012 17.328 1.00 0.00 H new ATOM 0 HD11 LEU A 15 23.569 32.569 15.853 1.00 0.00 H new ATOM 0 HD12 LEU A 15 22.790 34.027 16.514 1.00 0.00 H new ATOM 0 HD13 LEU A 15 24.328 33.450 17.200 1.00 0.00 H new ATOM 0 HD21 LEU A 15 23.788 30.595 17.107 1.00 0.00 H new ATOM 0 HD22 LEU A 15 24.463 31.467 18.504 1.00 0.00 H new ATOM 0 HD23 LEU A 15 23.052 30.403 18.716 1.00 0.00 H new ATOM 256 N GLU A 16 19.574 33.393 17.173 1.00 0.00 N ATOM 257 CA GLU A 16 18.465 32.801 16.448 1.00 0.00 C ATOM 258 C GLU A 16 18.926 31.427 15.978 1.00 0.00 C ATOM 259 O GLU A 16 19.939 31.288 15.288 1.00 0.00 O ATOM 260 CB GLU A 16 18.042 33.613 15.223 1.00 0.00 C ATOM 261 CG GLU A 16 16.813 33.191 14.406 1.00 0.00 C ATOM 262 CD GLU A 16 15.502 33.113 15.177 1.00 0.00 C ATOM 263 OE1 GLU A 16 15.265 31.998 15.679 1.00 0.00 O ATOM 264 OE2 GLU A 16 14.689 34.051 15.083 1.00 0.00 O ATOM 0 H GLU A 16 20.202 33.862 16.521 1.00 0.00 H new ATOM 0 HA GLU A 16 17.603 32.761 17.114 1.00 0.00 H new ATOM 0 HB2 GLU A 16 17.873 34.637 15.556 1.00 0.00 H new ATOM 0 HB3 GLU A 16 18.892 33.636 14.541 1.00 0.00 H new ATOM 0 HG2 GLU A 16 16.688 33.895 13.583 1.00 0.00 H new ATOM 0 HG3 GLU A 16 17.012 32.215 13.963 1.00 0.00 H new ATOM 271 N VAL A 17 18.158 30.376 16.255 1.00 0.00 N ATOM 272 CA VAL A 17 18.367 29.029 15.749 1.00 0.00 C ATOM 273 C VAL A 17 17.058 28.359 15.362 1.00 0.00 C ATOM 274 O VAL A 17 16.059 28.563 16.045 1.00 0.00 O ATOM 275 CB VAL A 17 19.157 28.214 16.776 1.00 0.00 C ATOM 276 CG1 VAL A 17 20.521 28.769 17.196 1.00 0.00 C ATOM 277 CG2 VAL A 17 18.206 27.842 17.916 1.00 0.00 C ATOM 0 H VAL A 17 17.342 30.446 16.863 1.00 0.00 H new ATOM 0 HA VAL A 17 18.953 29.085 14.832 1.00 0.00 H new ATOM 0 HB VAL A 17 19.502 27.302 16.289 1.00 0.00 H new ATOM 0 HG11 VAL A 17 20.977 28.100 17.926 1.00 0.00 H new ATOM 0 HG12 VAL A 17 21.167 28.847 16.322 1.00 0.00 H new ATOM 0 HG13 VAL A 17 20.391 29.756 17.640 1.00 0.00 H new ATOM 0 HG21 VAL A 17 18.744 27.259 18.664 1.00 0.00 H new ATOM 0 HG22 VAL A 17 17.816 28.750 18.376 1.00 0.00 H new ATOM 0 HG23 VAL A 17 17.379 27.251 17.522 1.00 0.00 H new ATOM 287 N GLU A 18 17.117 27.556 14.292 1.00 0.00 N ATOM 288 CA GLU A 18 16.057 26.701 13.803 1.00 0.00 C ATOM 289 C GLU A 18 15.952 25.462 14.685 1.00 0.00 C ATOM 290 O GLU A 18 17.005 24.957 15.085 1.00 0.00 O ATOM 291 CB GLU A 18 16.277 26.489 12.305 1.00 0.00 C ATOM 292 CG GLU A 18 15.193 27.191 11.488 1.00 0.00 C ATOM 293 CD GLU A 18 15.085 28.695 11.750 1.00 0.00 C ATOM 294 OE1 GLU A 18 16.026 29.414 11.384 1.00 0.00 O ATOM 295 OE2 GLU A 18 14.061 29.187 12.271 1.00 0.00 O ATOM 0 H GLU A 18 17.959 27.491 13.720 1.00 0.00 H new ATOM 0 HA GLU A 18 15.064 27.144 13.881 1.00 0.00 H new ATOM 0 HB2 GLU A 18 17.257 26.871 12.020 1.00 0.00 H new ATOM 0 HB3 GLU A 18 16.273 25.422 12.081 1.00 0.00 H new ATOM 0 HG2 GLU A 18 15.392 27.032 10.428 1.00 0.00 H new ATOM 0 HG3 GLU A 18 14.232 26.726 11.705 1.00 0.00 H new ATOM 302 N PRO A 19 14.786 24.836 14.895 1.00 0.00 N ATOM 303 CA PRO A 19 14.559 23.475 15.332 1.00 0.00 C ATOM 304 C PRO A 19 15.080 22.498 14.273 1.00 0.00 C ATOM 305 O PRO A 19 15.682 21.519 14.695 1.00 0.00 O ATOM 306 CB PRO A 19 13.068 23.327 15.629 1.00 0.00 C ATOM 307 CG PRO A 19 12.398 24.379 14.751 1.00 0.00 C ATOM 308 CD PRO A 19 13.503 25.412 14.540 1.00 0.00 C ATOM 0 HA PRO A 19 15.107 23.240 16.245 1.00 0.00 H new ATOM 0 HB2 PRO A 19 12.713 22.325 15.389 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.855 23.496 16.684 1.00 0.00 H new ATOM 0 HG2 PRO A 19 12.056 23.957 13.806 1.00 0.00 H new ATOM 0 HG3 PRO A 19 11.527 24.815 15.239 1.00 0.00 H new ATOM 0 HD2 PRO A 19 13.515 25.738 13.500 1.00 0.00 H new ATOM 0 HD3 PRO A 19 13.309 26.295 15.149 1.00 0.00 H new ATOM 316 N SER A 20 14.844 22.779 12.995 1.00 0.00 N ATOM 317 CA SER A 20 15.378 22.130 11.813 1.00 0.00 C ATOM 318 C SER A 20 16.877 22.263 11.539 1.00 0.00 C ATOM 319 O SER A 20 17.422 21.589 10.662 1.00 0.00 O ATOM 320 CB SER A 20 14.461 22.496 10.650 1.00 0.00 C ATOM 321 OG SER A 20 14.470 23.875 10.383 1.00 0.00 O ATOM 0 H SER A 20 14.213 23.540 12.743 1.00 0.00 H new ATOM 0 HA SER A 20 15.363 21.054 11.989 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.773 21.953 9.758 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.444 22.178 10.877 1.00 0.00 H new ATOM 0 HG SER A 20 13.872 24.066 9.631 1.00 0.00 H new ATOM 327 N ASP A 21 17.651 23.039 12.281 1.00 0.00 N ATOM 328 CA ASP A 21 19.060 23.339 12.108 1.00 0.00 C ATOM 329 C ASP A 21 19.799 22.241 12.878 1.00 0.00 C ATOM 330 O ASP A 21 19.354 21.895 13.965 1.00 0.00 O ATOM 331 CB ASP A 21 19.327 24.786 12.546 1.00 0.00 C ATOM 332 CG ASP A 21 20.305 25.524 11.634 1.00 0.00 C ATOM 333 OD1 ASP A 21 21.208 24.887 11.045 1.00 0.00 O ATOM 334 OD2 ASP A 21 20.220 26.768 11.554 1.00 0.00 O ATOM 0 H ASP A 21 17.270 23.519 13.096 1.00 0.00 H new ATOM 0 HA ASP A 21 19.417 23.318 11.078 1.00 0.00 H new ATOM 0 HB2 ASP A 21 18.383 25.331 12.571 1.00 0.00 H new ATOM 0 HB3 ASP A 21 19.720 24.784 13.563 1.00 0.00 H new ATOM 339 N THR A 22 20.959 21.860 12.348 1.00 0.00 N ATOM 340 CA THR A 22 21.845 20.824 12.820 1.00 0.00 C ATOM 341 C THR A 22 23.043 21.296 13.659 1.00 0.00 C ATOM 342 O THR A 22 23.601 22.350 13.380 1.00 0.00 O ATOM 343 CB THR A 22 22.217 19.854 11.690 1.00 0.00 C ATOM 344 OG1 THR A 22 22.797 20.672 10.692 1.00 0.00 O ATOM 345 CG2 THR A 22 21.036 19.142 11.043 1.00 0.00 C ATOM 0 H THR A 22 21.324 22.311 11.509 1.00 0.00 H new ATOM 0 HA THR A 22 21.266 20.265 13.555 1.00 0.00 H new ATOM 0 HB THR A 22 22.856 19.074 12.104 1.00 0.00 H new ATOM 0 HG1 THR A 22 23.065 20.118 9.930 1.00 0.00 H new ATOM 0 HG21 THR A 22 21.397 18.479 10.257 1.00 0.00 H new ATOM 0 HG22 THR A 22 20.506 18.558 11.796 1.00 0.00 H new ATOM 0 HG23 THR A 22 20.358 19.879 10.613 1.00 0.00 H new ATOM 353 N ILE A 23 23.471 20.529 14.645 1.00 0.00 N ATOM 354 CA ILE A 23 24.547 20.878 15.567 1.00 0.00 C ATOM 355 C ILE A 23 25.793 21.544 14.999 1.00 0.00 C ATOM 356 O ILE A 23 26.132 22.645 15.411 1.00 0.00 O ATOM 357 CB ILE A 23 24.798 19.730 16.549 1.00 0.00 C ATOM 358 CG1 ILE A 23 23.575 19.264 17.323 1.00 0.00 C ATOM 359 CG2 ILE A 23 25.996 19.896 17.494 1.00 0.00 C ATOM 360 CD1 ILE A 23 22.907 20.313 18.223 1.00 0.00 C ATOM 0 H ILE A 23 23.067 19.612 14.836 1.00 0.00 H new ATOM 0 HA ILE A 23 24.168 21.731 16.130 1.00 0.00 H new ATOM 0 HB ILE A 23 25.068 18.936 15.853 1.00 0.00 H new ATOM 0 HG12 ILE A 23 22.835 18.902 16.610 1.00 0.00 H new ATOM 0 HG13 ILE A 23 23.863 18.414 17.942 1.00 0.00 H new ATOM 0 HG21 ILE A 23 26.073 19.022 18.141 1.00 0.00 H new ATOM 0 HG22 ILE A 23 26.910 19.996 16.909 1.00 0.00 H new ATOM 0 HG23 ILE A 23 25.857 20.788 18.104 1.00 0.00 H new ATOM 0 HD11 ILE A 23 22.047 19.868 18.724 1.00 0.00 H new ATOM 0 HD12 ILE A 23 23.622 20.661 18.969 1.00 0.00 H new ATOM 0 HD13 ILE A 23 22.577 21.156 17.616 1.00 0.00 H new ATOM 372 N GLU A 24 26.343 20.948 13.937 1.00 0.00 N ATOM 373 CA GLU A 24 27.580 21.440 13.362 1.00 0.00 C ATOM 374 C GLU A 24 27.424 22.711 12.527 1.00 0.00 C ATOM 375 O GLU A 24 28.243 23.623 12.424 1.00 0.00 O ATOM 376 CB GLU A 24 28.213 20.349 12.506 1.00 0.00 C ATOM 377 CG GLU A 24 29.738 20.150 12.477 1.00 0.00 C ATOM 378 CD GLU A 24 30.284 19.867 13.871 1.00 0.00 C ATOM 379 OE1 GLU A 24 29.681 19.317 14.816 1.00 0.00 O ATOM 380 OE2 GLU A 24 31.459 20.190 14.107 1.00 0.00 O ATOM 0 H GLU A 24 25.949 20.132 13.468 1.00 0.00 H new ATOM 0 HA GLU A 24 28.219 21.705 14.204 1.00 0.00 H new ATOM 0 HB2 GLU A 24 27.773 19.402 12.819 1.00 0.00 H new ATOM 0 HB3 GLU A 24 27.894 20.524 11.478 1.00 0.00 H new ATOM 0 HG2 GLU A 24 29.987 19.323 11.812 1.00 0.00 H new ATOM 0 HG3 GLU A 24 30.216 21.041 12.071 1.00 0.00 H new ATOM 387 N ASN A 25 26.262 22.875 11.880 1.00 0.00 N ATOM 388 CA ASN A 25 25.805 24.041 11.150 1.00 0.00 C ATOM 389 C ASN A 25 25.394 25.197 12.063 1.00 0.00 C ATOM 390 O ASN A 25 25.706 26.325 11.664 1.00 0.00 O ATOM 391 CB ASN A 25 24.573 23.765 10.277 1.00 0.00 C ATOM 392 CG ASN A 25 24.364 24.714 9.112 1.00 0.00 C ATOM 393 OD1 ASN A 25 25.052 24.750 8.089 1.00 0.00 O ATOM 394 ND2 ASN A 25 23.280 25.470 9.265 1.00 0.00 N ATOM 0 H ASN A 25 25.568 22.127 11.859 1.00 0.00 H new ATOM 0 HA ASN A 25 26.671 24.302 10.541 1.00 0.00 H new ATOM 0 HB2 ASN A 25 24.648 22.750 9.886 1.00 0.00 H new ATOM 0 HB3 ASN A 25 23.687 23.797 10.911 1.00 0.00 H new ATOM 0 HD21 ASN A 25 22.993 26.107 8.522 1.00 0.00 H new ATOM 0 HD22 ASN A 25 22.736 25.413 10.126 1.00 0.00 H new ATOM 401 N VAL A 26 24.809 24.912 13.220 1.00 0.00 N ATOM 402 CA VAL A 26 24.548 25.857 14.284 1.00 0.00 C ATOM 403 C VAL A 26 25.827 26.275 15.015 1.00 0.00 C ATOM 404 O VAL A 26 25.877 27.489 15.157 1.00 0.00 O ATOM 405 CB VAL A 26 23.437 25.373 15.218 1.00 0.00 C ATOM 406 CG1 VAL A 26 23.190 26.271 16.437 1.00 0.00 C ATOM 407 CG2 VAL A 26 22.076 25.230 14.541 1.00 0.00 C ATOM 0 H VAL A 26 24.491 23.970 13.447 1.00 0.00 H new ATOM 0 HA VAL A 26 24.169 26.769 13.823 1.00 0.00 H new ATOM 0 HB VAL A 26 23.828 24.404 15.529 1.00 0.00 H new ATOM 0 HG11 VAL A 26 22.386 25.851 17.042 1.00 0.00 H new ATOM 0 HG12 VAL A 26 24.100 26.332 17.034 1.00 0.00 H new ATOM 0 HG13 VAL A 26 22.908 27.269 16.102 1.00 0.00 H new ATOM 0 HG21 VAL A 26 21.342 24.883 15.269 1.00 0.00 H new ATOM 0 HG22 VAL A 26 21.764 26.196 14.144 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.149 24.509 13.727 1.00 0.00 H new ATOM 417 N LYS A 27 26.850 25.461 15.255 1.00 0.00 N ATOM 418 CA LYS A 27 28.191 25.900 15.613 1.00 0.00 C ATOM 419 C LYS A 27 28.877 26.756 14.554 1.00 0.00 C ATOM 420 O LYS A 27 29.709 27.575 14.928 1.00 0.00 O ATOM 421 CB LYS A 27 29.024 24.654 15.873 1.00 0.00 C ATOM 422 CG LYS A 27 28.579 23.924 17.147 1.00 0.00 C ATOM 423 CD LYS A 27 28.911 22.434 17.141 1.00 0.00 C ATOM 424 CE LYS A 27 30.420 22.249 17.295 1.00 0.00 C ATOM 425 NZ LYS A 27 30.809 20.896 16.868 1.00 0.00 N ATOM 0 H LYS A 27 26.764 24.446 15.204 1.00 0.00 H new ATOM 0 HA LYS A 27 28.104 26.539 16.492 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.943 23.979 15.021 1.00 0.00 H new ATOM 0 HB3 LYS A 27 30.074 24.931 15.962 1.00 0.00 H new ATOM 0 HG2 LYS A 27 29.055 24.391 18.009 1.00 0.00 H new ATOM 0 HG3 LYS A 27 27.503 24.048 17.271 1.00 0.00 H new ATOM 0 HD2 LYS A 27 28.387 21.930 17.953 1.00 0.00 H new ATOM 0 HD3 LYS A 27 28.571 21.978 16.211 1.00 0.00 H new ATOM 0 HE2 LYS A 27 30.948 22.993 16.699 1.00 0.00 H new ATOM 0 HE3 LYS A 27 30.710 22.409 18.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 31.676 20.948 16.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 30.981 20.304 17.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 30.045 20.478 16.300 1.00 0.00 H new ATOM 439 N ALA A 28 28.505 26.512 13.294 1.00 0.00 N ATOM 440 CA ALA A 28 28.970 27.289 12.161 1.00 0.00 C ATOM 441 C ALA A 28 28.391 28.707 12.208 1.00 0.00 C ATOM 442 O ALA A 28 29.111 29.621 11.804 1.00 0.00 O ATOM 443 CB ALA A 28 28.912 26.508 10.849 1.00 0.00 C ATOM 0 H ALA A 28 27.866 25.760 13.038 1.00 0.00 H new ATOM 0 HA ALA A 28 30.043 27.466 12.229 1.00 0.00 H new ATOM 0 HB1 ALA A 28 29.271 27.137 10.035 1.00 0.00 H new ATOM 0 HB2 ALA A 28 29.540 25.620 10.926 1.00 0.00 H new ATOM 0 HB3 ALA A 28 27.883 26.208 10.649 1.00 0.00 H new ATOM 449 N LYS A 29 27.206 28.972 12.728 1.00 0.00 N ATOM 450 CA LYS A 29 26.694 30.318 12.889 1.00 0.00 C ATOM 451 C LYS A 29 27.337 31.112 14.031 1.00 0.00 C ATOM 452 O LYS A 29 27.351 32.336 14.019 1.00 0.00 O ATOM 453 CB LYS A 29 25.181 30.298 13.116 1.00 0.00 C ATOM 454 CG LYS A 29 24.401 29.799 11.904 1.00 0.00 C ATOM 455 CD LYS A 29 22.893 29.793 12.189 1.00 0.00 C ATOM 456 CE LYS A 29 22.055 29.818 10.916 1.00 0.00 C ATOM 457 NZ LYS A 29 21.872 28.454 10.409 1.00 0.00 N ATOM 0 H LYS A 29 26.565 28.248 13.054 1.00 0.00 H new ATOM 0 HA LYS A 29 26.951 30.822 11.958 1.00 0.00 H new ATOM 0 HB2 LYS A 29 24.956 29.662 13.972 1.00 0.00 H new ATOM 0 HB3 LYS A 29 24.844 31.303 13.369 1.00 0.00 H new ATOM 0 HG2 LYS A 29 24.610 30.436 11.044 1.00 0.00 H new ATOM 0 HG3 LYS A 29 24.730 28.793 11.643 1.00 0.00 H new ATOM 0 HD2 LYS A 29 22.640 28.905 12.768 1.00 0.00 H new ATOM 0 HD3 LYS A 29 22.640 30.657 12.803 1.00 0.00 H new ATOM 0 HE2 LYS A 29 21.085 30.273 11.118 1.00 0.00 H new ATOM 0 HE3 LYS A 29 22.544 30.433 10.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 21.594 28.490 9.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 22.763 27.926 10.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 21.128 27.977 10.957 1.00 0.00 H new ATOM 471 N ILE A 30 27.977 30.443 14.994 1.00 0.00 N ATOM 472 CA ILE A 30 28.936 31.003 15.916 1.00 0.00 C ATOM 473 C ILE A 30 30.325 31.244 15.305 1.00 0.00 C ATOM 474 O ILE A 30 31.009 32.177 15.717 1.00 0.00 O ATOM 475 CB ILE A 30 29.112 30.022 17.081 1.00 0.00 C ATOM 476 CG1 ILE A 30 27.794 29.669 17.764 1.00 0.00 C ATOM 477 CG2 ILE A 30 30.110 30.574 18.105 1.00 0.00 C ATOM 478 CD1 ILE A 30 27.081 30.757 18.566 1.00 0.00 C ATOM 0 H ILE A 30 27.824 29.447 15.149 1.00 0.00 H new ATOM 0 HA ILE A 30 28.542 31.972 16.224 1.00 0.00 H new ATOM 0 HB ILE A 30 29.505 29.099 16.654 1.00 0.00 H new ATOM 0 HG12 ILE A 30 27.105 29.316 16.996 1.00 0.00 H new ATOM 0 HG13 ILE A 30 27.981 28.830 18.434 1.00 0.00 H new ATOM 0 HG21 ILE A 30 30.221 29.864 18.924 1.00 0.00 H new ATOM 0 HG22 ILE A 30 31.076 30.728 17.625 1.00 0.00 H new ATOM 0 HG23 ILE A 30 29.743 31.523 18.495 1.00 0.00 H new ATOM 0 HD11 ILE A 30 26.161 30.353 18.989 1.00 0.00 H new ATOM 0 HD12 ILE A 30 27.731 31.101 19.371 1.00 0.00 H new ATOM 0 HD13 ILE A 30 26.842 31.594 17.911 1.00 0.00 H new ATOM 490 N GLN A 31 30.681 30.455 14.298 1.00 0.00 N ATOM 491 CA GLN A 31 32.004 30.554 13.707 1.00 0.00 C ATOM 492 C GLN A 31 32.262 31.908 13.052 1.00 0.00 C ATOM 493 O GLN A 31 33.338 32.477 13.185 1.00 0.00 O ATOM 494 CB GLN A 31 32.181 29.408 12.711 1.00 0.00 C ATOM 495 CG GLN A 31 33.496 29.264 11.943 1.00 0.00 C ATOM 496 CD GLN A 31 33.522 28.285 10.785 1.00 0.00 C ATOM 497 OE1 GLN A 31 32.519 27.668 10.439 1.00 0.00 O ATOM 498 NE2 GLN A 31 34.747 28.049 10.296 1.00 0.00 N ATOM 0 H GLN A 31 30.077 29.748 13.879 1.00 0.00 H new ATOM 0 HA GLN A 31 32.744 30.472 14.503 1.00 0.00 H new ATOM 0 HB2 GLN A 31 32.018 28.477 13.254 1.00 0.00 H new ATOM 0 HB3 GLN A 31 31.382 29.491 11.974 1.00 0.00 H new ATOM 0 HG2 GLN A 31 33.772 30.246 11.560 1.00 0.00 H new ATOM 0 HG3 GLN A 31 34.270 28.969 12.652 1.00 0.00 H new ATOM 0 HE21 GLN A 31 35.542 28.597 10.625 1.00 0.00 H new ATOM 0 HE22 GLN A 31 34.885 27.321 9.595 1.00 0.00 H new ATOM 507 N ASP A 32 31.218 32.438 12.418 1.00 0.00 N ATOM 508 CA ASP A 32 31.117 33.809 11.967 1.00 0.00 C ATOM 509 C ASP A 32 31.663 34.822 12.971 1.00 0.00 C ATOM 510 O ASP A 32 32.448 35.677 12.555 1.00 0.00 O ATOM 511 CB ASP A 32 29.661 33.975 11.513 1.00 0.00 C ATOM 512 CG ASP A 32 29.015 35.336 11.776 1.00 0.00 C ATOM 513 OD1 ASP A 32 29.610 36.381 11.455 1.00 0.00 O ATOM 514 OD2 ASP A 32 27.839 35.191 12.158 1.00 0.00 O ATOM 0 H ASP A 32 30.385 31.891 12.199 1.00 0.00 H new ATOM 0 HA ASP A 32 31.771 34.030 11.123 1.00 0.00 H new ATOM 0 HB2 ASP A 32 29.613 33.776 10.442 1.00 0.00 H new ATOM 0 HB3 ASP A 32 29.060 33.211 12.007 1.00 0.00 H new ATOM 519 N LYS A 33 31.119 34.698 14.179 1.00 0.00 N ATOM 520 CA LYS A 33 31.086 35.712 15.215 1.00 0.00 C ATOM 521 C LYS A 33 32.342 35.515 16.078 1.00 0.00 C ATOM 522 O LYS A 33 33.138 36.406 16.344 1.00 0.00 O ATOM 523 CB LYS A 33 29.871 35.631 16.132 1.00 0.00 C ATOM 524 CG LYS A 33 28.663 35.764 15.208 1.00 0.00 C ATOM 525 CD LYS A 33 27.298 35.856 15.900 1.00 0.00 C ATOM 526 CE LYS A 33 26.032 35.808 15.046 1.00 0.00 C ATOM 527 NZ LYS A 33 26.211 34.844 13.953 1.00 0.00 N ATOM 0 H LYS A 33 30.664 33.834 14.472 1.00 0.00 H new ATOM 0 HA LYS A 33 31.039 36.682 14.721 1.00 0.00 H new ATOM 0 HB2 LYS A 33 29.850 34.686 16.675 1.00 0.00 H new ATOM 0 HB3 LYS A 33 29.886 36.426 16.877 1.00 0.00 H new ATOM 0 HG2 LYS A 33 28.797 36.653 14.592 1.00 0.00 H new ATOM 0 HG3 LYS A 33 28.650 34.908 14.533 1.00 0.00 H new ATOM 0 HD2 LYS A 33 27.239 35.042 16.622 1.00 0.00 H new ATOM 0 HD3 LYS A 33 27.278 36.787 16.467 1.00 0.00 H new ATOM 0 HE2 LYS A 33 25.178 35.522 15.660 1.00 0.00 H new ATOM 0 HE3 LYS A 33 25.817 36.797 14.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 25.297 34.673 13.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 26.886 35.226 13.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 26.577 33.949 14.336 1.00 0.00 H new ATOM 541 N GLU A 34 32.617 34.273 16.450 1.00 0.00 N ATOM 542 CA GLU A 34 33.686 33.997 17.391 1.00 0.00 C ATOM 543 C GLU A 34 35.002 33.619 16.722 1.00 0.00 C ATOM 544 O GLU A 34 36.049 34.078 17.164 1.00 0.00 O ATOM 545 CB GLU A 34 33.174 32.939 18.370 1.00 0.00 C ATOM 546 CG GLU A 34 32.334 33.437 19.555 1.00 0.00 C ATOM 547 CD GLU A 34 33.080 34.112 20.696 1.00 0.00 C ATOM 548 OE1 GLU A 34 33.347 35.325 20.549 1.00 0.00 O ATOM 549 OE2 GLU A 34 33.401 33.460 21.715 1.00 0.00 O ATOM 0 H GLU A 34 32.118 33.448 16.116 1.00 0.00 H new ATOM 0 HA GLU A 34 33.939 34.907 17.935 1.00 0.00 H new ATOM 0 HB2 GLU A 34 32.577 32.219 17.810 1.00 0.00 H new ATOM 0 HB3 GLU A 34 34.034 32.400 18.767 1.00 0.00 H new ATOM 0 HG2 GLU A 34 31.593 34.139 19.173 1.00 0.00 H new ATOM 0 HG3 GLU A 34 31.788 32.587 19.964 1.00 0.00 H new ATOM 556 N GLY A 35 34.920 32.951 15.570 1.00 0.00 N ATOM 557 CA GLY A 35 36.101 32.629 14.796 1.00 0.00 C ATOM 558 C GLY A 35 36.408 31.139 14.968 1.00 0.00 C ATOM 559 O GLY A 35 36.990 30.580 14.038 1.00 0.00 O ATOM 0 H GLY A 35 34.044 32.626 15.160 1.00 0.00 H new ATOM 0 HA2 GLY A 35 35.939 32.863 13.744 1.00 0.00 H new ATOM 0 HA3 GLY A 35 36.947 33.230 15.129 1.00 0.00 H new ATOM 563 N ILE A 36 36.100 30.537 16.115 1.00 0.00 N ATOM 564 CA ILE A 36 36.247 29.117 16.378 1.00 0.00 C ATOM 565 C ILE A 36 35.719 28.107 15.361 1.00 0.00 C ATOM 566 O ILE A 36 34.523 28.203 15.127 1.00 0.00 O ATOM 567 CB ILE A 36 35.841 28.739 17.800 1.00 0.00 C ATOM 568 CG1 ILE A 36 36.237 29.714 18.920 1.00 0.00 C ATOM 569 CG2 ILE A 36 36.169 27.306 18.204 1.00 0.00 C ATOM 570 CD1 ILE A 36 37.741 29.878 19.072 1.00 0.00 C ATOM 0 H ILE A 36 35.727 31.050 16.914 1.00 0.00 H new ATOM 0 HA ILE A 36 37.324 29.012 16.250 1.00 0.00 H new ATOM 0 HB ILE A 36 34.758 28.824 17.709 1.00 0.00 H new ATOM 0 HG12 ILE A 36 35.791 30.688 18.719 1.00 0.00 H new ATOM 0 HG13 ILE A 36 35.820 29.361 19.863 1.00 0.00 H new ATOM 0 HG21 ILE A 36 35.843 27.133 19.230 1.00 0.00 H new ATOM 0 HG22 ILE A 36 35.654 26.613 17.538 1.00 0.00 H new ATOM 0 HG23 ILE A 36 37.245 27.145 18.134 1.00 0.00 H new ATOM 0 HD11 ILE A 36 37.951 30.579 19.880 1.00 0.00 H new ATOM 0 HD12 ILE A 36 38.191 28.913 19.304 1.00 0.00 H new ATOM 0 HD13 ILE A 36 38.161 30.260 18.142 1.00 0.00 H new ATOM 582 N PRO A 37 36.490 27.245 14.695 1.00 0.00 N ATOM 583 CA PRO A 37 35.920 26.270 13.798 1.00 0.00 C ATOM 584 C PRO A 37 35.044 25.318 14.619 1.00 0.00 C ATOM 585 O PRO A 37 35.464 24.989 15.725 1.00 0.00 O ATOM 586 CB PRO A 37 37.117 25.505 13.214 1.00 0.00 C ATOM 587 CG PRO A 37 38.321 25.916 14.057 1.00 0.00 C ATOM 588 CD PRO A 37 37.934 27.237 14.720 1.00 0.00 C ATOM 0 HA PRO A 37 35.311 26.718 13.013 1.00 0.00 H new ATOM 0 HB2 PRO A 37 36.955 24.428 13.262 1.00 0.00 H new ATOM 0 HB3 PRO A 37 37.269 25.758 12.165 1.00 0.00 H new ATOM 0 HG2 PRO A 37 38.553 25.157 14.804 1.00 0.00 H new ATOM 0 HG3 PRO A 37 39.210 26.035 13.437 1.00 0.00 H new ATOM 0 HD2 PRO A 37 38.314 27.295 15.740 1.00 0.00 H new ATOM 0 HD3 PRO A 37 38.345 28.089 14.178 1.00 0.00 H new ATOM 596 N PRO A 38 34.017 24.725 14.021 1.00 0.00 N ATOM 597 CA PRO A 38 33.111 23.723 14.557 1.00 0.00 C ATOM 598 C PRO A 38 33.764 22.492 15.171 1.00 0.00 C ATOM 599 O PRO A 38 33.401 22.032 16.258 1.00 0.00 O ATOM 600 CB PRO A 38 32.185 23.276 13.429 1.00 0.00 C ATOM 601 CG PRO A 38 32.173 24.491 12.491 1.00 0.00 C ATOM 602 CD PRO A 38 33.576 25.082 12.682 1.00 0.00 C ATOM 0 HA PRO A 38 32.589 24.206 15.383 1.00 0.00 H new ATOM 0 HB2 PRO A 38 32.560 22.383 12.929 1.00 0.00 H new ATOM 0 HB3 PRO A 38 31.186 23.040 13.796 1.00 0.00 H new ATOM 0 HG2 PRO A 38 31.994 24.201 11.456 1.00 0.00 H new ATOM 0 HG3 PRO A 38 31.394 25.203 12.762 1.00 0.00 H new ATOM 0 HD2 PRO A 38 34.264 24.689 11.933 1.00 0.00 H new ATOM 0 HD3 PRO A 38 33.557 26.165 12.560 1.00 0.00 H new ATOM 610 N ASP A 39 34.868 22.022 14.595 1.00 0.00 N ATOM 611 CA ASP A 39 35.701 20.903 15.000 1.00 0.00 C ATOM 612 C ASP A 39 36.628 21.213 16.182 1.00 0.00 C ATOM 613 O ASP A 39 36.992 20.283 16.894 1.00 0.00 O ATOM 614 CB ASP A 39 36.651 20.502 13.874 1.00 0.00 C ATOM 615 CG ASP A 39 36.091 20.530 12.450 1.00 0.00 C ATOM 616 OD1 ASP A 39 35.306 19.686 11.996 1.00 0.00 O ATOM 617 OD2 ASP A 39 36.326 21.540 11.758 1.00 0.00 O ATOM 0 H ASP A 39 35.233 22.462 13.750 1.00 0.00 H new ATOM 0 HA ASP A 39 34.986 20.126 15.269 1.00 0.00 H new ATOM 0 HB2 ASP A 39 37.517 21.162 13.910 1.00 0.00 H new ATOM 0 HB3 ASP A 39 37.010 19.493 14.077 1.00 0.00 H new ATOM 622 N GLN A 40 36.840 22.492 16.459 1.00 0.00 N ATOM 623 CA GLN A 40 37.449 22.978 17.690 1.00 0.00 C ATOM 624 C GLN A 40 36.420 23.294 18.772 1.00 0.00 C ATOM 625 O GLN A 40 36.878 23.630 19.857 1.00 0.00 O ATOM 626 CB GLN A 40 38.497 24.087 17.508 1.00 0.00 C ATOM 627 CG GLN A 40 39.735 23.568 16.777 1.00 0.00 C ATOM 628 CD GLN A 40 40.893 23.219 17.707 1.00 0.00 C ATOM 629 OE1 GLN A 40 41.673 24.028 18.202 1.00 0.00 O ATOM 630 NE2 GLN A 40 41.177 21.929 17.852 1.00 0.00 N ATOM 0 H GLN A 40 36.586 23.242 15.816 1.00 0.00 H new ATOM 0 HA GLN A 40 38.032 22.131 18.052 1.00 0.00 H new ATOM 0 HB2 GLN A 40 38.061 24.914 16.947 1.00 0.00 H new ATOM 0 HB3 GLN A 40 38.786 24.480 18.483 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.463 22.683 16.202 1.00 0.00 H new ATOM 0 HG3 GLN A 40 40.068 24.322 16.063 1.00 0.00 H new ATOM 0 HE21 GLN A 40 40.556 21.223 17.457 1.00 0.00 H new ATOM 0 HE22 GLN A 40 42.016 21.645 18.359 1.00 0.00 H new ATOM 639 N GLN A 41 35.114 23.310 18.506 1.00 0.00 N ATOM 640 CA GLN A 41 34.092 23.849 19.387 1.00 0.00 C ATOM 641 C GLN A 41 33.333 22.634 19.921 1.00 0.00 C ATOM 642 O GLN A 41 32.895 21.761 19.172 1.00 0.00 O ATOM 643 CB GLN A 41 33.257 24.751 18.478 1.00 0.00 C ATOM 644 CG GLN A 41 32.324 25.614 19.314 1.00 0.00 C ATOM 645 CD GLN A 41 32.897 26.945 19.793 1.00 0.00 C ATOM 646 OE1 GLN A 41 33.557 26.902 20.828 1.00 0.00 O ATOM 647 NE2 GLN A 41 32.738 28.049 19.071 1.00 0.00 N ATOM 0 H GLN A 41 34.731 22.933 17.639 1.00 0.00 H new ATOM 0 HA GLN A 41 34.434 24.429 20.245 1.00 0.00 H new ATOM 0 HB2 GLN A 41 33.912 25.384 17.879 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.678 24.144 17.782 1.00 0.00 H new ATOM 0 HG2 GLN A 41 31.427 25.816 18.729 1.00 0.00 H new ATOM 0 HG3 GLN A 41 32.013 25.039 20.187 1.00 0.00 H new ATOM 0 HE21 GLN A 41 32.178 28.025 18.219 1.00 0.00 H new ATOM 0 HE22 GLN A 41 33.176 28.921 19.369 1.00 0.00 H new ATOM 656 N ARG A 42 33.141 22.538 21.233 1.00 0.00 N ATOM 657 CA ARG A 42 32.045 21.745 21.756 1.00 0.00 C ATOM 658 C ARG A 42 31.092 22.655 22.540 1.00 0.00 C ATOM 659 O ARG A 42 31.396 23.849 22.602 1.00 0.00 O ATOM 660 CB ARG A 42 32.608 20.587 22.577 1.00 0.00 C ATOM 661 CG ARG A 42 32.724 19.410 21.615 1.00 0.00 C ATOM 662 CD ARG A 42 33.406 18.201 22.241 1.00 0.00 C ATOM 663 NE ARG A 42 33.447 16.951 21.479 1.00 0.00 N ATOM 664 CZ ARG A 42 34.016 15.830 21.929 1.00 0.00 C ATOM 665 NH1 ARG A 42 34.706 15.736 23.077 1.00 0.00 N ATOM 666 NH2 ARG A 42 33.968 14.663 21.269 1.00 0.00 N ATOM 0 H ARG A 42 33.721 22.992 21.939 1.00 0.00 H new ATOM 0 HA ARG A 42 31.458 21.299 20.953 1.00 0.00 H new ATOM 0 HB2 ARG A 42 33.580 20.844 22.999 1.00 0.00 H new ATOM 0 HB3 ARG A 42 31.951 20.345 23.413 1.00 0.00 H new ATOM 0 HG2 ARG A 42 31.728 19.124 21.276 1.00 0.00 H new ATOM 0 HG3 ARG A 42 33.284 19.721 20.733 1.00 0.00 H new ATOM 0 HD2 ARG A 42 34.433 18.482 22.472 1.00 0.00 H new ATOM 0 HD3 ARG A 42 32.911 17.995 23.190 1.00 0.00 H new ATOM 0 HE ARG A 42 33.017 16.936 20.554 1.00 0.00 H new ATOM 0 HH11 ARG A 42 34.823 16.557 23.670 1.00 0.00 H new ATOM 0 HH12 ARG A 42 35.113 14.843 23.356 1.00 0.00 H new ATOM 0 HH21 ARG A 42 33.479 14.602 20.376 1.00 0.00 H new ATOM 0 HH22 ARG A 42 34.421 13.837 21.660 1.00 0.00 H new ATOM 680 N LEU A 43 30.053 22.114 23.172 1.00 0.00 N ATOM 681 CA LEU A 43 29.056 22.736 24.010 1.00 0.00 C ATOM 682 C LEU A 43 28.494 21.544 24.778 1.00 0.00 C ATOM 683 O LEU A 43 28.119 20.523 24.195 1.00 0.00 O ATOM 684 CB LEU A 43 27.939 23.441 23.248 1.00 0.00 C ATOM 685 CG LEU A 43 28.003 23.671 21.738 1.00 0.00 C ATOM 686 CD1 LEU A 43 27.782 22.375 20.960 1.00 0.00 C ATOM 687 CD2 LEU A 43 26.954 24.730 21.389 1.00 0.00 C ATOM 0 H LEU A 43 29.879 21.112 23.093 1.00 0.00 H new ATOM 0 HA LEU A 43 29.490 23.529 24.620 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.025 22.879 23.441 1.00 0.00 H new ATOM 0 HB3 LEU A 43 27.815 24.421 23.709 1.00 0.00 H new ATOM 0 HG LEU A 43 28.995 24.021 21.453 1.00 0.00 H new ATOM 0 HD11 LEU A 43 27.835 22.579 19.891 1.00 0.00 H new ATOM 0 HD12 LEU A 43 28.552 21.653 21.230 1.00 0.00 H new ATOM 0 HD13 LEU A 43 26.801 21.967 21.204 1.00 0.00 H new ATOM 0 HD21 LEU A 43 26.972 24.920 20.316 1.00 0.00 H new ATOM 0 HD22 LEU A 43 25.966 24.372 21.678 1.00 0.00 H new ATOM 0 HD23 LEU A 43 27.177 25.653 21.924 1.00 0.00 H new ATOM 699 N ILE A 44 28.523 21.578 26.111 1.00 0.00 N ATOM 700 CA ILE A 44 28.092 20.511 26.991 1.00 0.00 C ATOM 701 C ILE A 44 26.803 21.073 27.592 1.00 0.00 C ATOM 702 O ILE A 44 26.778 22.221 28.016 1.00 0.00 O ATOM 703 CB ILE A 44 29.233 20.222 27.970 1.00 0.00 C ATOM 704 CG1 ILE A 44 30.612 20.099 27.315 1.00 0.00 C ATOM 705 CG2 ILE A 44 28.967 18.887 28.673 1.00 0.00 C ATOM 706 CD1 ILE A 44 30.864 18.844 26.494 1.00 0.00 C ATOM 0 H ILE A 44 28.865 22.392 26.622 1.00 0.00 H new ATOM 0 HA ILE A 44 27.880 19.541 26.541 1.00 0.00 H new ATOM 0 HB ILE A 44 29.254 21.074 28.649 1.00 0.00 H new ATOM 0 HG12 ILE A 44 30.761 20.965 26.670 1.00 0.00 H new ATOM 0 HG13 ILE A 44 31.368 20.151 28.099 1.00 0.00 H new ATOM 0 HG21 ILE A 44 29.777 18.676 29.372 1.00 0.00 H new ATOM 0 HG22 ILE A 44 28.024 18.944 29.217 1.00 0.00 H new ATOM 0 HG23 ILE A 44 28.911 18.090 27.931 1.00 0.00 H new ATOM 0 HD11 ILE A 44 31.873 18.874 26.083 1.00 0.00 H new ATOM 0 HD12 ILE A 44 30.758 17.965 27.130 1.00 0.00 H new ATOM 0 HD13 ILE A 44 30.142 18.791 25.679 1.00 0.00 H new ATOM 718 N PHE A 45 25.659 20.397 27.450 1.00 0.00 N ATOM 719 CA PHE A 45 24.285 20.780 27.689 1.00 0.00 C ATOM 720 C PHE A 45 23.543 19.622 28.361 1.00 0.00 C ATOM 721 O PHE A 45 23.360 18.552 27.793 1.00 0.00 O ATOM 722 CB PHE A 45 23.661 21.261 26.377 1.00 0.00 C ATOM 723 CG PHE A 45 22.404 22.084 26.529 1.00 0.00 C ATOM 724 CD1 PHE A 45 22.419 23.345 27.128 1.00 0.00 C ATOM 725 CD2 PHE A 45 21.222 21.567 25.999 1.00 0.00 C ATOM 726 CE1 PHE A 45 21.219 24.074 27.163 1.00 0.00 C ATOM 727 CE2 PHE A 45 20.023 22.296 26.034 1.00 0.00 C ATOM 728 CZ PHE A 45 20.040 23.574 26.608 1.00 0.00 C ATOM 0 H PHE A 45 25.695 19.434 27.117 1.00 0.00 H new ATOM 0 HA PHE A 45 24.217 21.619 28.381 1.00 0.00 H new ATOM 0 HB2 PHE A 45 24.400 21.852 25.836 1.00 0.00 H new ATOM 0 HB3 PHE A 45 23.435 20.391 25.760 1.00 0.00 H new ATOM 0 HD1 PHE A 45 23.327 23.748 27.552 1.00 0.00 H new ATOM 0 HD2 PHE A 45 21.229 20.584 25.552 1.00 0.00 H new ATOM 0 HE1 PHE A 45 21.208 25.047 27.632 1.00 0.00 H new ATOM 0 HE2 PHE A 45 19.111 21.883 25.629 1.00 0.00 H new ATOM 0 HZ PHE A 45 19.141 24.172 26.621 1.00 0.00 H new ATOM 738 N ALA A 46 23.251 19.831 29.650 1.00 0.00 N ATOM 739 CA ALA A 46 22.537 19.031 30.615 1.00 0.00 C ATOM 740 C ALA A 46 23.223 17.728 31.047 1.00 0.00 C ATOM 741 O ALA A 46 22.561 16.753 31.388 1.00 0.00 O ATOM 742 CB ALA A 46 21.068 18.865 30.212 1.00 0.00 C ATOM 0 H ALA A 46 23.563 20.697 30.089 1.00 0.00 H new ATOM 0 HA ALA A 46 22.561 19.605 31.541 1.00 0.00 H new ATOM 0 HB1 ALA A 46 20.553 18.258 30.956 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.594 19.845 30.152 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.010 18.374 29.241 1.00 0.00 H new ATOM 748 N GLY A 47 24.552 17.737 30.964 1.00 0.00 N ATOM 749 CA GLY A 47 25.318 16.658 31.540 1.00 0.00 C ATOM 750 C GLY A 47 25.741 15.759 30.378 1.00 0.00 C ATOM 751 O GLY A 47 26.157 14.623 30.618 1.00 0.00 O ATOM 0 H GLY A 47 25.102 18.467 30.512 1.00 0.00 H new ATOM 0 HA2 GLY A 47 26.189 17.041 32.071 1.00 0.00 H new ATOM 0 HA3 GLY A 47 24.722 16.102 32.264 1.00 0.00 H new ATOM 755 N LYS A 48 25.679 16.245 29.138 1.00 0.00 N ATOM 756 CA LYS A 48 25.872 15.510 27.905 1.00 0.00 C ATOM 757 C LYS A 48 26.428 16.315 26.736 1.00 0.00 C ATOM 758 O LYS A 48 26.328 17.545 26.805 1.00 0.00 O ATOM 759 CB LYS A 48 24.670 14.616 27.573 1.00 0.00 C ATOM 760 CG LYS A 48 23.394 15.396 27.261 1.00 0.00 C ATOM 761 CD LYS A 48 22.289 14.423 26.826 1.00 0.00 C ATOM 762 CE LYS A 48 20.948 15.110 26.616 1.00 0.00 C ATOM 763 NZ LYS A 48 19.906 14.149 26.203 1.00 0.00 N ATOM 0 H LYS A 48 25.479 17.230 28.966 1.00 0.00 H new ATOM 0 HA LYS A 48 26.701 14.830 28.103 1.00 0.00 H new ATOM 0 HB2 LYS A 48 24.920 13.988 26.718 1.00 0.00 H new ATOM 0 HB3 LYS A 48 24.481 13.949 28.414 1.00 0.00 H new ATOM 0 HG2 LYS A 48 23.074 15.956 28.140 1.00 0.00 H new ATOM 0 HG3 LYS A 48 23.584 16.123 26.471 1.00 0.00 H new ATOM 0 HD2 LYS A 48 22.588 13.930 25.901 1.00 0.00 H new ATOM 0 HD3 LYS A 48 22.179 13.644 27.581 1.00 0.00 H new ATOM 0 HE2 LYS A 48 20.643 15.605 27.538 1.00 0.00 H new ATOM 0 HE3 LYS A 48 21.050 15.886 25.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 19.005 14.651 26.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 20.186 13.695 25.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 19.792 13.423 26.939 1.00 0.00 H new ATOM 777 N GLN A 49 27.026 15.747 25.694 1.00 0.00 N ATOM 778 CA GLN A 49 27.321 16.252 24.364 1.00 0.00 C ATOM 779 C GLN A 49 26.164 16.254 23.354 1.00 0.00 C ATOM 780 O GLN A 49 25.349 15.344 23.414 1.00 0.00 O ATOM 781 CB GLN A 49 28.334 15.267 23.789 1.00 0.00 C ATOM 782 CG GLN A 49 29.726 15.608 24.311 1.00 0.00 C ATOM 783 CD GLN A 49 30.599 14.399 24.011 1.00 0.00 C ATOM 784 OE1 GLN A 49 30.317 13.602 23.116 1.00 0.00 O ATOM 785 NE2 GLN A 49 31.579 14.132 24.865 1.00 0.00 N ATOM 0 H GLN A 49 27.360 14.787 25.780 1.00 0.00 H new ATOM 0 HA GLN A 49 27.627 17.291 24.489 1.00 0.00 H new ATOM 0 HB2 GLN A 49 28.067 14.248 24.071 1.00 0.00 H new ATOM 0 HB3 GLN A 49 28.322 15.310 22.700 1.00 0.00 H new ATOM 0 HG2 GLN A 49 30.117 16.501 23.823 1.00 0.00 H new ATOM 0 HG3 GLN A 49 29.701 15.814 25.381 1.00 0.00 H new ATOM 0 HE21 GLN A 49 31.807 14.797 25.604 1.00 0.00 H new ATOM 0 HE22 GLN A 49 32.104 13.262 24.782 1.00 0.00 H new ATOM 794 N LEU A 50 26.227 17.248 22.474 1.00 0.00 N ATOM 795 CA LEU A 50 25.286 17.333 21.371 1.00 0.00 C ATOM 796 C LEU A 50 26.114 16.774 20.212 1.00 0.00 C ATOM 797 O LEU A 50 27.249 17.204 20.023 1.00 0.00 O ATOM 798 CB LEU A 50 24.836 18.783 21.150 1.00 0.00 C ATOM 799 CG LEU A 50 23.891 19.302 22.226 1.00 0.00 C ATOM 800 CD1 LEU A 50 23.722 20.795 21.938 1.00 0.00 C ATOM 801 CD2 LEU A 50 22.505 18.707 22.479 1.00 0.00 C ATOM 0 H LEU A 50 26.916 18.000 22.505 1.00 0.00 H new ATOM 0 HA LEU A 50 24.353 16.790 21.519 1.00 0.00 H new ATOM 0 HB2 LEU A 50 25.716 19.425 21.111 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.344 18.858 20.180 1.00 0.00 H new ATOM 0 HG LEU A 50 24.390 18.992 23.144 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.052 21.234 22.677 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.693 21.288 21.990 1.00 0.00 H new ATOM 0 HD13 LEU A 50 23.301 20.928 20.941 1.00 0.00 H new ATOM 0 HD21 LEU A 50 22.022 19.244 23.295 1.00 0.00 H new ATOM 0 HD22 LEU A 50 21.900 18.797 21.577 1.00 0.00 H new ATOM 0 HD23 LEU A 50 22.604 17.655 22.746 1.00 0.00 H new ATOM 813 N GLU A 51 25.683 15.667 19.603 1.00 0.00 N ATOM 814 CA GLU A 51 26.447 15.020 18.565 1.00 0.00 C ATOM 815 C GLU A 51 26.091 15.653 17.212 1.00 0.00 C ATOM 816 O GLU A 51 24.988 16.144 17.007 1.00 0.00 O ATOM 817 CB GLU A 51 25.909 13.591 18.562 1.00 0.00 C ATOM 818 CG GLU A 51 26.746 12.527 17.857 1.00 0.00 C ATOM 819 CD GLU A 51 28.139 12.595 18.487 1.00 0.00 C ATOM 820 OE1 GLU A 51 28.389 12.008 19.559 1.00 0.00 O ATOM 821 OE2 GLU A 51 28.960 13.327 17.901 1.00 0.00 O ATOM 0 H GLU A 51 24.800 15.206 19.822 1.00 0.00 H new ATOM 0 HA GLU A 51 27.523 15.092 18.723 1.00 0.00 H new ATOM 0 HB2 GLU A 51 25.772 13.280 19.598 1.00 0.00 H new ATOM 0 HB3 GLU A 51 24.922 13.604 18.100 1.00 0.00 H new ATOM 0 HG2 GLU A 51 26.308 11.537 17.987 1.00 0.00 H new ATOM 0 HG3 GLU A 51 26.794 12.716 16.785 1.00 0.00 H new ATOM 828 N ASP A 52 26.963 15.556 16.215 1.00 0.00 N ATOM 829 CA ASP A 52 26.836 16.122 14.889 1.00 0.00 C ATOM 830 C ASP A 52 25.799 15.349 14.068 1.00 0.00 C ATOM 831 O ASP A 52 25.496 14.181 14.320 1.00 0.00 O ATOM 832 CB ASP A 52 28.184 16.357 14.211 1.00 0.00 C ATOM 833 CG ASP A 52 28.559 15.260 13.226 1.00 0.00 C ATOM 834 OD1 ASP A 52 27.986 15.249 12.124 1.00 0.00 O ATOM 835 OD2 ASP A 52 29.521 14.514 13.517 1.00 0.00 O ATOM 0 H ASP A 52 27.837 15.042 16.326 1.00 0.00 H new ATOM 0 HA ASP A 52 26.436 17.132 14.976 1.00 0.00 H new ATOM 0 HB2 ASP A 52 28.158 17.313 13.688 1.00 0.00 H new ATOM 0 HB3 ASP A 52 28.959 16.432 14.974 1.00 0.00 H new ATOM 840 N GLY A 53 25.244 16.050 13.089 1.00 0.00 N ATOM 841 CA GLY A 53 24.319 15.492 12.133 1.00 0.00 C ATOM 842 C GLY A 53 22.862 15.517 12.591 1.00 0.00 C ATOM 843 O GLY A 53 21.982 15.110 11.831 1.00 0.00 O ATOM 0 H GLY A 53 25.433 17.041 12.941 1.00 0.00 H new ATOM 0 HA2 GLY A 53 24.404 16.043 11.196 1.00 0.00 H new ATOM 0 HA3 GLY A 53 24.606 14.461 11.924 1.00 0.00 H new ATOM 847 N ARG A 54 22.592 15.752 13.871 1.00 0.00 N ATOM 848 CA ARG A 54 21.284 15.739 14.491 1.00 0.00 C ATOM 849 C ARG A 54 20.771 17.173 14.383 1.00 0.00 C ATOM 850 O ARG A 54 21.484 18.165 14.539 1.00 0.00 O ATOM 851 CB ARG A 54 21.371 15.286 15.948 1.00 0.00 C ATOM 852 CG ARG A 54 22.247 14.077 16.278 1.00 0.00 C ATOM 853 CD ARG A 54 22.105 12.892 15.320 1.00 0.00 C ATOM 854 NE ARG A 54 23.349 12.542 14.630 1.00 0.00 N ATOM 855 CZ ARG A 54 23.631 11.831 13.538 1.00 0.00 C ATOM 856 NH1 ARG A 54 22.638 11.193 12.886 1.00 0.00 N ATOM 857 NH2 ARG A 54 24.885 11.861 13.064 1.00 0.00 N ATOM 0 H ARG A 54 23.331 15.970 14.539 1.00 0.00 H new ATOM 0 HA ARG A 54 20.610 15.036 14.001 1.00 0.00 H new ATOM 0 HB2 ARG A 54 21.731 16.129 16.538 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.359 15.067 16.290 1.00 0.00 H new ATOM 0 HG2 ARG A 54 23.290 14.395 16.286 1.00 0.00 H new ATOM 0 HG3 ARG A 54 22.009 13.740 17.287 1.00 0.00 H new ATOM 0 HD2 ARG A 54 21.753 12.025 15.878 1.00 0.00 H new ATOM 0 HD3 ARG A 54 21.341 13.125 14.578 1.00 0.00 H new ATOM 0 HE ARG A 54 24.179 12.925 15.083 1.00 0.00 H new ATOM 0 HH11 ARG A 54 21.679 11.256 13.229 1.00 0.00 H new ATOM 0 HH12 ARG A 54 22.845 10.647 12.050 1.00 0.00 H new ATOM 0 HH21 ARG A 54 25.596 12.419 13.537 1.00 0.00 H new ATOM 0 HH22 ARG A 54 25.128 11.326 12.230 1.00 0.00 H new ATOM 871 N THR A 55 19.464 17.373 14.278 1.00 0.00 N ATOM 872 CA THR A 55 18.792 18.649 14.430 1.00 0.00 C ATOM 873 C THR A 55 18.649 18.966 15.917 1.00 0.00 C ATOM 874 O THR A 55 18.911 18.205 16.854 1.00 0.00 O ATOM 875 CB THR A 55 17.461 18.554 13.687 1.00 0.00 C ATOM 876 OG1 THR A 55 16.628 17.553 14.226 1.00 0.00 O ATOM 877 CG2 THR A 55 17.607 18.341 12.186 1.00 0.00 C ATOM 0 H THR A 55 18.816 16.612 14.075 1.00 0.00 H new ATOM 0 HA THR A 55 19.357 19.476 13.999 1.00 0.00 H new ATOM 0 HB THR A 55 16.995 19.529 13.831 1.00 0.00 H new ATOM 0 HG1 THR A 55 15.786 17.524 13.726 1.00 0.00 H new ATOM 0 HG21 THR A 55 16.619 18.284 11.729 1.00 0.00 H new ATOM 0 HG22 THR A 55 18.160 19.174 11.752 1.00 0.00 H new ATOM 0 HG23 THR A 55 18.147 17.412 12.001 1.00 0.00 H new ATOM 885 N LEU A 56 18.157 20.159 16.228 1.00 0.00 N ATOM 886 CA LEU A 56 17.823 20.641 17.556 1.00 0.00 C ATOM 887 C LEU A 56 16.506 20.061 18.078 1.00 0.00 C ATOM 888 O LEU A 56 16.372 19.972 19.301 1.00 0.00 O ATOM 889 CB LEU A 56 17.612 22.158 17.576 1.00 0.00 C ATOM 890 CG LEU A 56 18.680 23.056 18.198 1.00 0.00 C ATOM 891 CD1 LEU A 56 19.892 23.017 17.269 1.00 0.00 C ATOM 892 CD2 LEU A 56 18.249 24.484 18.539 1.00 0.00 C ATOM 0 H LEU A 56 17.970 20.859 15.510 1.00 0.00 H new ATOM 0 HA LEU A 56 18.668 20.334 18.173 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.472 22.482 16.545 1.00 0.00 H new ATOM 0 HB3 LEU A 56 16.676 22.351 18.101 1.00 0.00 H new ATOM 0 HG LEU A 56 18.913 22.657 19.185 1.00 0.00 H new ATOM 0 HD11 LEU A 56 20.683 23.647 17.676 1.00 0.00 H new ATOM 0 HD12 LEU A 56 20.253 21.992 17.184 1.00 0.00 H new ATOM 0 HD13 LEU A 56 19.607 23.384 16.283 1.00 0.00 H new ATOM 0 HD21 LEU A 56 19.090 25.024 18.974 1.00 0.00 H new ATOM 0 HD22 LEU A 56 17.922 24.992 17.632 1.00 0.00 H new ATOM 0 HD23 LEU A 56 17.428 24.455 19.255 1.00 0.00 H new ATOM 904 N SER A 57 15.627 19.617 17.193 1.00 0.00 N ATOM 905 CA SER A 57 14.413 18.882 17.453 1.00 0.00 C ATOM 906 C SER A 57 14.680 17.449 17.935 1.00 0.00 C ATOM 907 O SER A 57 14.134 16.945 18.916 1.00 0.00 O ATOM 908 CB SER A 57 13.440 18.963 16.272 1.00 0.00 C ATOM 909 OG SER A 57 12.092 18.651 16.555 1.00 0.00 O ATOM 0 H SER A 57 15.762 19.778 16.195 1.00 0.00 H new ATOM 0 HA SER A 57 13.913 19.370 18.290 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.480 19.973 15.863 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.792 18.289 15.491 1.00 0.00 H new ATOM 0 HG SER A 57 11.558 18.735 15.737 1.00 0.00 H new ATOM 915 N ASP A 58 15.788 16.856 17.524 1.00 0.00 N ATOM 916 CA ASP A 58 16.294 15.568 17.969 1.00 0.00 C ATOM 917 C ASP A 58 16.693 15.590 19.446 1.00 0.00 C ATOM 918 O ASP A 58 16.701 14.577 20.149 1.00 0.00 O ATOM 919 CB ASP A 58 17.425 15.022 17.110 1.00 0.00 C ATOM 920 CG ASP A 58 17.140 14.754 15.630 1.00 0.00 C ATOM 921 OD1 ASP A 58 16.060 14.159 15.431 1.00 0.00 O ATOM 922 OD2 ASP A 58 17.955 15.081 14.752 1.00 0.00 O ATOM 0 H ASP A 58 16.396 17.288 16.828 1.00 0.00 H new ATOM 0 HA ASP A 58 15.459 14.878 17.849 1.00 0.00 H new ATOM 0 HB2 ASP A 58 18.257 15.724 17.168 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.764 14.088 17.559 1.00 0.00 H new ATOM 927 N TYR A 59 17.167 16.734 19.929 1.00 0.00 N ATOM 928 CA TYR A 59 17.791 16.909 21.224 1.00 0.00 C ATOM 929 C TYR A 59 16.826 17.743 22.069 1.00 0.00 C ATOM 930 O TYR A 59 17.151 18.163 23.177 1.00 0.00 O ATOM 931 CB TYR A 59 19.086 17.713 21.125 1.00 0.00 C ATOM 932 CG TYR A 59 20.289 16.828 20.859 1.00 0.00 C ATOM 933 CD1 TYR A 59 20.606 15.881 21.848 1.00 0.00 C ATOM 934 CD2 TYR A 59 21.077 16.886 19.707 1.00 0.00 C ATOM 935 CE1 TYR A 59 21.704 15.022 21.688 1.00 0.00 C ATOM 936 CE2 TYR A 59 22.178 16.022 19.622 1.00 0.00 C ATOM 937 CZ TYR A 59 22.487 15.011 20.523 1.00 0.00 C ATOM 938 OH TYR A 59 23.536 14.143 20.433 1.00 0.00 O ATOM 0 H TYR A 59 17.121 17.603 19.397 1.00 0.00 H new ATOM 0 HA TYR A 59 18.012 15.928 21.644 1.00 0.00 H new ATOM 0 HB2 TYR A 59 18.995 18.449 20.327 1.00 0.00 H new ATOM 0 HB3 TYR A 59 19.241 18.265 22.052 1.00 0.00 H new ATOM 0 HD1 TYR A 59 19.999 15.814 22.739 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.846 17.574 18.908 1.00 0.00 H new ATOM 0 HE1 TYR A 59 21.956 14.345 22.491 1.00 0.00 H new ATOM 0 HE2 TYR A 59 22.844 16.154 18.782 1.00 0.00 H new ATOM 0 HH TYR A 59 23.400 13.543 19.670 1.00 0.00 H new ATOM 948 N ASN A 60 15.635 18.012 21.545 1.00 0.00 N ATOM 949 CA ASN A 60 14.490 18.562 22.249 1.00 0.00 C ATOM 950 C ASN A 60 14.767 19.906 22.928 1.00 0.00 C ATOM 951 O ASN A 60 14.409 20.202 24.066 1.00 0.00 O ATOM 952 CB ASN A 60 13.719 17.522 23.061 1.00 0.00 C ATOM 953 CG ASN A 60 14.451 17.025 24.304 1.00 0.00 C ATOM 954 OD1 ASN A 60 15.077 15.968 24.340 1.00 0.00 O ATOM 955 ND2 ASN A 60 14.248 17.692 25.431 1.00 0.00 N ATOM 0 H ASN A 60 15.435 17.841 20.560 1.00 0.00 H new ATOM 0 HA ASN A 60 13.766 18.845 21.485 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.763 17.950 23.364 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.497 16.669 22.419 1.00 0.00 H new ATOM 0 HD21 ASN A 60 14.609 17.327 26.312 1.00 0.00 H new ATOM 0 HD22 ASN A 60 13.730 18.571 25.417 1.00 0.00 H new ATOM 962 N ILE A 61 15.497 20.739 22.191 1.00 0.00 N ATOM 963 CA ILE A 61 16.017 22.062 22.511 1.00 0.00 C ATOM 964 C ILE A 61 14.947 23.062 22.065 1.00 0.00 C ATOM 965 O ILE A 61 14.708 23.114 20.865 1.00 0.00 O ATOM 966 CB ILE A 61 17.424 22.253 21.942 1.00 0.00 C ATOM 967 CG1 ILE A 61 18.346 21.383 22.784 1.00 0.00 C ATOM 968 CG2 ILE A 61 18.070 23.638 21.895 1.00 0.00 C ATOM 969 CD1 ILE A 61 19.853 21.464 22.553 1.00 0.00 C ATOM 0 H ILE A 61 15.769 20.469 21.246 1.00 0.00 H new ATOM 0 HA ILE A 61 16.181 22.219 23.577 1.00 0.00 H new ATOM 0 HB ILE A 61 17.296 22.006 20.888 1.00 0.00 H new ATOM 0 HG12 ILE A 61 18.160 21.623 23.831 1.00 0.00 H new ATOM 0 HG13 ILE A 61 18.045 20.346 22.636 1.00 0.00 H new ATOM 0 HG21 ILE A 61 19.065 23.561 21.457 1.00 0.00 H new ATOM 0 HG22 ILE A 61 17.458 24.305 21.288 1.00 0.00 H new ATOM 0 HG23 ILE A 61 18.148 24.037 22.906 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.363 20.782 23.234 1.00 0.00 H new ATOM 0 HD12 ILE A 61 20.079 21.186 21.524 1.00 0.00 H new ATOM 0 HD13 ILE A 61 20.195 22.483 22.737 1.00 0.00 H new ATOM 981 N GLN A 62 14.466 23.883 22.993 1.00 0.00 N ATOM 982 CA GLN A 62 13.519 24.971 22.886 1.00 0.00 C ATOM 983 C GLN A 62 14.059 26.372 23.196 1.00 0.00 C ATOM 984 O GLN A 62 15.251 26.485 23.472 1.00 0.00 O ATOM 985 CB GLN A 62 12.214 24.568 23.570 1.00 0.00 C ATOM 986 CG GLN A 62 11.635 23.339 22.881 1.00 0.00 C ATOM 987 CD GLN A 62 10.698 23.669 21.728 1.00 0.00 C ATOM 988 OE1 GLN A 62 10.700 24.703 21.061 1.00 0.00 O ATOM 989 NE2 GLN A 62 9.716 22.812 21.470 1.00 0.00 N ATOM 0 H GLN A 62 14.776 23.781 23.959 1.00 0.00 H new ATOM 0 HA GLN A 62 13.296 25.120 21.829 1.00 0.00 H new ATOM 0 HB2 GLN A 62 12.394 24.356 24.624 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.500 25.391 23.528 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.453 22.723 22.508 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.096 22.741 23.616 1.00 0.00 H new ATOM 0 HE21 GLN A 62 9.656 21.935 21.987 1.00 0.00 H new ATOM 0 HE22 GLN A 62 9.023 23.031 20.755 1.00 0.00 H new ATOM 998 N LYS A 63 13.296 27.464 23.205 1.00 0.00 N ATOM 999 CA LYS A 63 13.604 28.715 23.862 1.00 0.00 C ATOM 1000 C LYS A 63 14.001 28.620 25.337 1.00 0.00 C ATOM 1001 O LYS A 63 13.796 27.620 26.036 1.00 0.00 O ATOM 1002 CB LYS A 63 12.506 29.758 23.645 1.00 0.00 C ATOM 1003 CG LYS A 63 11.178 29.563 24.384 1.00 0.00 C ATOM 1004 CD LYS A 63 10.228 30.674 23.951 1.00 0.00 C ATOM 1005 CE LYS A 63 8.873 30.686 24.651 1.00 0.00 C ATOM 1006 NZ LYS A 63 8.150 31.945 24.450 1.00 0.00 N ATOM 0 H LYS A 63 12.397 27.492 22.724 1.00 0.00 H new ATOM 0 HA LYS A 63 14.514 29.048 23.363 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.907 30.731 23.929 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.292 29.801 22.577 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.753 28.587 24.152 1.00 0.00 H new ATOM 0 HG3 LYS A 63 11.334 29.594 25.462 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.716 31.633 24.124 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.062 30.589 22.877 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.268 29.859 24.279 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.017 30.520 25.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.236 31.903 24.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.713 32.733 24.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.987 32.093 23.434 1.00 0.00 H new ATOM 1020 N GLU A 64 14.633 29.659 25.862 1.00 0.00 N ATOM 1021 CA GLU A 64 15.014 30.012 27.219 1.00 0.00 C ATOM 1022 C GLU A 64 16.359 29.374 27.603 1.00 0.00 C ATOM 1023 O GLU A 64 16.849 29.554 28.712 1.00 0.00 O ATOM 1024 CB GLU A 64 13.857 29.721 28.172 1.00 0.00 C ATOM 1025 CG GLU A 64 13.864 30.500 29.489 1.00 0.00 C ATOM 1026 CD GLU A 64 13.681 31.986 29.235 1.00 0.00 C ATOM 1027 OE1 GLU A 64 12.509 32.427 29.183 1.00 0.00 O ATOM 1028 OE2 GLU A 64 14.615 32.776 29.007 1.00 0.00 O ATOM 0 H GLU A 64 14.941 30.399 25.231 1.00 0.00 H new ATOM 0 HA GLU A 64 15.197 31.084 27.295 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.922 29.932 27.653 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.861 28.656 28.402 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.067 30.136 30.137 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.804 30.329 30.014 1.00 0.00 H new ATOM 1035 N SER A 65 16.946 28.652 26.650 1.00 0.00 N ATOM 1036 CA SER A 65 18.182 27.898 26.742 1.00 0.00 C ATOM 1037 C SER A 65 19.284 28.941 26.530 1.00 0.00 C ATOM 1038 O SER A 65 19.558 29.371 25.417 1.00 0.00 O ATOM 1039 CB SER A 65 18.169 26.853 25.625 1.00 0.00 C ATOM 1040 OG SER A 65 17.174 25.867 25.814 1.00 0.00 O ATOM 0 H SER A 65 16.531 28.577 25.721 1.00 0.00 H new ATOM 0 HA SER A 65 18.325 27.374 27.687 1.00 0.00 H new ATOM 0 HB2 SER A 65 18.005 27.351 24.669 1.00 0.00 H new ATOM 0 HB3 SER A 65 19.146 26.372 25.571 1.00 0.00 H new ATOM 0 HG SER A 65 16.488 25.958 25.120 1.00 0.00 H new ATOM 1046 N THR A 66 20.005 29.295 27.597 1.00 0.00 N ATOM 1047 CA THR A 66 21.334 29.869 27.613 1.00 0.00 C ATOM 1048 C THR A 66 22.406 28.786 27.532 1.00 0.00 C ATOM 1049 O THR A 66 22.525 27.955 28.438 1.00 0.00 O ATOM 1050 CB THR A 66 21.520 30.809 28.802 1.00 0.00 C ATOM 1051 OG1 THR A 66 20.373 31.623 28.915 1.00 0.00 O ATOM 1052 CG2 THR A 66 22.760 31.688 28.679 1.00 0.00 C ATOM 0 H THR A 66 19.637 29.174 28.541 1.00 0.00 H new ATOM 0 HA THR A 66 21.451 30.482 26.720 1.00 0.00 H new ATOM 0 HB THR A 66 21.659 30.195 29.692 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.477 32.231 29.676 1.00 0.00 H new ATOM 0 HG21 THR A 66 22.837 32.333 29.554 1.00 0.00 H new ATOM 0 HG22 THR A 66 23.647 31.058 28.613 1.00 0.00 H new ATOM 0 HG23 THR A 66 22.683 32.302 27.781 1.00 0.00 H new ATOM 1060 N LEU A 67 23.139 28.678 26.426 1.00 0.00 N ATOM 1061 CA LEU A 67 24.312 27.838 26.307 1.00 0.00 C ATOM 1062 C LEU A 67 25.579 28.388 26.976 1.00 0.00 C ATOM 1063 O LEU A 67 25.777 29.589 27.107 1.00 0.00 O ATOM 1064 CB LEU A 67 24.611 27.610 24.826 1.00 0.00 C ATOM 1065 CG LEU A 67 23.565 26.943 23.918 1.00 0.00 C ATOM 1066 CD1 LEU A 67 23.887 27.212 22.447 1.00 0.00 C ATOM 1067 CD2 LEU A 67 23.370 25.495 24.353 1.00 0.00 C ATOM 0 H LEU A 67 22.922 29.188 25.570 1.00 0.00 H new ATOM 0 HA LEU A 67 24.066 26.916 26.834 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.844 28.582 24.390 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.519 27.009 24.769 1.00 0.00 H new ATOM 0 HG LEU A 67 22.575 27.384 24.029 1.00 0.00 H new ATOM 0 HD11 LEU A 67 23.137 26.733 21.817 1.00 0.00 H new ATOM 0 HD12 LEU A 67 23.882 28.287 22.264 1.00 0.00 H new ATOM 0 HD13 LEU A 67 24.871 26.808 22.210 1.00 0.00 H new ATOM 0 HD21 LEU A 67 22.629 25.019 23.711 1.00 0.00 H new ATOM 0 HD22 LEU A 67 24.316 24.960 24.273 1.00 0.00 H new ATOM 0 HD23 LEU A 67 23.025 25.469 25.387 1.00 0.00 H new ATOM 1079 N HIS A 68 26.555 27.503 27.196 1.00 0.00 N ATOM 1080 CA HIS A 68 27.975 27.768 27.238 1.00 0.00 C ATOM 1081 C HIS A 68 28.702 26.953 26.162 1.00 0.00 C ATOM 1082 O HIS A 68 28.258 25.859 25.819 1.00 0.00 O ATOM 1083 CB HIS A 68 28.490 27.591 28.671 1.00 0.00 C ATOM 1084 CG HIS A 68 28.469 26.203 29.251 1.00 0.00 C ATOM 1085 ND1 HIS A 68 27.390 25.715 29.977 1.00 0.00 N ATOM 1086 CD2 HIS A 68 29.428 25.245 29.108 1.00 0.00 C ATOM 1087 CE1 HIS A 68 27.730 24.449 30.256 1.00 0.00 C ATOM 1088 NE2 HIS A 68 28.885 24.097 29.667 1.00 0.00 N ATOM 0 H HIS A 68 26.348 26.518 27.359 1.00 0.00 H new ATOM 0 HA HIS A 68 28.191 28.806 26.983 1.00 0.00 H new ATOM 0 HB2 HIS A 68 29.517 27.955 28.706 1.00 0.00 H new ATOM 0 HB3 HIS A 68 27.901 28.236 29.322 1.00 0.00 H new ATOM 0 HD2 HIS A 68 30.403 25.356 28.656 1.00 0.00 H new ATOM 0 HE1 HIS A 68 27.145 23.790 30.880 1.00 0.00 H new ATOM 0 HE2 HIS A 68 29.288 23.160 29.636 1.00 0.00 H new ATOM 1096 N LEU A 69 29.784 27.503 25.617 1.00 0.00 N ATOM 1097 CA LEU A 69 30.753 26.914 24.721 1.00 0.00 C ATOM 1098 C LEU A 69 31.985 26.408 25.466 1.00 0.00 C ATOM 1099 O LEU A 69 32.431 26.918 26.489 1.00 0.00 O ATOM 1100 CB LEU A 69 31.170 28.021 23.750 1.00 0.00 C ATOM 1101 CG LEU A 69 30.072 28.563 22.850 1.00 0.00 C ATOM 1102 CD1 LEU A 69 30.753 29.674 22.039 1.00 0.00 C ATOM 1103 CD2 LEU A 69 29.576 27.496 21.875 1.00 0.00 C ATOM 0 H LEU A 69 30.020 28.474 25.819 1.00 0.00 H new ATOM 0 HA LEU A 69 30.314 26.056 24.212 1.00 0.00 H new ATOM 0 HB2 LEU A 69 31.581 28.849 24.328 1.00 0.00 H new ATOM 0 HB3 LEU A 69 31.975 27.641 23.120 1.00 0.00 H new ATOM 0 HG LEU A 69 29.216 28.900 23.434 1.00 0.00 H new ATOM 0 HD11 LEU A 69 30.030 30.123 21.359 1.00 0.00 H new ATOM 0 HD12 LEU A 69 31.136 30.437 22.717 1.00 0.00 H new ATOM 0 HD13 LEU A 69 31.578 29.252 21.465 1.00 0.00 H new ATOM 0 HD21 LEU A 69 28.791 27.915 21.245 1.00 0.00 H new ATOM 0 HD22 LEU A 69 30.404 27.162 21.249 1.00 0.00 H new ATOM 0 HD23 LEU A 69 29.179 26.649 22.434 1.00 0.00 H new ATOM 1115 N VAL A 70 32.631 25.355 24.962 1.00 0.00 N ATOM 1116 CA VAL A 70 33.925 24.842 25.351 1.00 0.00 C ATOM 1117 C VAL A 70 34.874 24.509 24.198 1.00 0.00 C ATOM 1118 O VAL A 70 34.353 24.152 23.145 1.00 0.00 O ATOM 1119 CB VAL A 70 33.722 23.635 26.265 1.00 0.00 C ATOM 1120 CG1 VAL A 70 33.176 23.923 27.661 1.00 0.00 C ATOM 1121 CG2 VAL A 70 33.042 22.443 25.587 1.00 0.00 C ATOM 0 H VAL A 70 32.220 24.801 24.210 1.00 0.00 H new ATOM 0 HA VAL A 70 34.431 25.652 25.877 1.00 0.00 H new ATOM 0 HB VAL A 70 34.750 23.328 26.460 1.00 0.00 H new ATOM 0 HG11 VAL A 70 33.076 22.988 28.213 1.00 0.00 H new ATOM 0 HG12 VAL A 70 33.861 24.585 28.190 1.00 0.00 H new ATOM 0 HG13 VAL A 70 32.200 24.401 27.578 1.00 0.00 H new ATOM 0 HG21 VAL A 70 32.936 21.629 26.304 1.00 0.00 H new ATOM 0 HG22 VAL A 70 32.057 22.742 25.228 1.00 0.00 H new ATOM 0 HG23 VAL A 70 33.649 22.108 24.745 1.00 0.00 H new ATOM 1131 N LEU A 71 36.195 24.482 24.342 1.00 0.00 N ATOM 1132 CA LEU A 71 37.155 24.359 23.260 1.00 0.00 C ATOM 1133 C LEU A 71 37.562 22.885 23.233 1.00 0.00 C ATOM 1134 O LEU A 71 37.848 22.362 24.306 1.00 0.00 O ATOM 1135 CB LEU A 71 38.355 25.236 23.617 1.00 0.00 C ATOM 1136 CG LEU A 71 38.210 26.738 23.438 1.00 0.00 C ATOM 1137 CD1 LEU A 71 39.348 27.582 24.015 1.00 0.00 C ATOM 1138 CD2 LEU A 71 38.148 26.974 21.928 1.00 0.00 C ATOM 0 H LEU A 71 36.641 24.548 25.257 1.00 0.00 H new ATOM 0 HA LEU A 71 36.762 24.667 22.291 1.00 0.00 H new ATOM 0 HB2 LEU A 71 38.611 25.046 24.659 1.00 0.00 H new ATOM 0 HB3 LEU A 71 39.202 24.907 23.015 1.00 0.00 H new ATOM 0 HG LEU A 71 37.321 27.052 23.986 1.00 0.00 H new ATOM 0 HD11 LEU A 71 39.146 28.638 23.834 1.00 0.00 H new ATOM 0 HD12 LEU A 71 39.423 27.406 25.088 1.00 0.00 H new ATOM 0 HD13 LEU A 71 40.286 27.304 23.535 1.00 0.00 H new ATOM 0 HD21 LEU A 71 38.043 28.041 21.730 1.00 0.00 H new ATOM 0 HD22 LEU A 71 39.064 26.607 21.465 1.00 0.00 H new ATOM 0 HD23 LEU A 71 37.293 26.442 21.511 1.00 0.00 H new ATOM 1150 N ARG A 72 37.783 22.167 22.138 1.00 0.00 N ATOM 1151 CA ARG A 72 38.693 21.047 21.956 1.00 0.00 C ATOM 1152 C ARG A 72 40.109 21.517 21.628 1.00 0.00 C ATOM 1153 O ARG A 72 40.293 22.524 20.941 1.00 0.00 O ATOM 1154 CB ARG A 72 38.231 20.155 20.812 1.00 0.00 C ATOM 1155 CG ARG A 72 36.877 19.450 20.954 1.00 0.00 C ATOM 1156 CD ARG A 72 36.603 18.316 19.965 1.00 0.00 C ATOM 1157 NE ARG A 72 37.075 17.011 20.428 1.00 0.00 N ATOM 1158 CZ ARG A 72 36.839 15.858 19.792 1.00 0.00 C ATOM 1159 NH1 ARG A 72 36.046 15.862 18.706 1.00 0.00 N ATOM 1160 NH2 ARG A 72 37.317 14.674 20.214 1.00 0.00 N ATOM 0 H ARG A 72 37.281 22.376 21.275 1.00 0.00 H new ATOM 0 HA ARG A 72 38.695 20.497 22.897 1.00 0.00 H new ATOM 0 HB2 ARG A 72 38.199 20.762 19.907 1.00 0.00 H new ATOM 0 HB3 ARG A 72 38.992 19.390 20.656 1.00 0.00 H new ATOM 0 HG2 ARG A 72 36.803 19.049 21.965 1.00 0.00 H new ATOM 0 HG3 ARG A 72 36.089 20.196 20.848 1.00 0.00 H new ATOM 0 HD2 ARG A 72 35.531 18.260 19.777 1.00 0.00 H new ATOM 0 HD3 ARG A 72 37.082 18.550 19.014 1.00 0.00 H new ATOM 0 HE ARG A 72 37.619 16.978 21.290 1.00 0.00 H new ATOM 0 HH11 ARG A 72 35.634 16.736 18.378 1.00 0.00 H new ATOM 0 HH12 ARG A 72 35.856 14.991 18.210 1.00 0.00 H new ATOM 0 HH21 ARG A 72 37.890 14.626 21.057 1.00 0.00 H new ATOM 0 HH22 ARG A 72 37.107 13.824 19.691 1.00 0.00 H new ATOM 1174 N LEU A 73 41.160 20.755 21.925 1.00 0.00 N ATOM 1175 CA LEU A 73 42.504 20.984 21.415 1.00 0.00 C ATOM 1176 C LEU A 73 42.756 20.380 20.030 1.00 0.00 C ATOM 1177 O LEU A 73 43.436 20.913 19.155 1.00 0.00 O ATOM 1178 CB LEU A 73 43.456 20.200 22.326 1.00 0.00 C ATOM 1179 CG LEU A 73 44.962 20.447 22.220 1.00 0.00 C ATOM 1180 CD1 LEU A 73 45.367 21.805 22.800 1.00 0.00 C ATOM 1181 CD2 LEU A 73 45.814 19.302 22.773 1.00 0.00 C ATOM 0 H LEU A 73 41.096 19.944 22.541 1.00 0.00 H new ATOM 0 HA LEU A 73 42.644 22.064 21.374 1.00 0.00 H new ATOM 0 HB2 LEU A 73 43.162 20.399 23.357 1.00 0.00 H new ATOM 0 HB3 LEU A 73 43.284 19.139 22.145 1.00 0.00 H new ATOM 0 HG LEU A 73 45.177 20.477 21.152 1.00 0.00 H new ATOM 0 HD11 LEU A 73 46.445 21.936 22.702 1.00 0.00 H new ATOM 0 HD12 LEU A 73 44.855 22.600 22.258 1.00 0.00 H new ATOM 0 HD13 LEU A 73 45.090 21.848 23.853 1.00 0.00 H new ATOM 0 HD21 LEU A 73 46.870 19.549 22.664 1.00 0.00 H new ATOM 0 HD22 LEU A 73 45.583 19.154 23.828 1.00 0.00 H new ATOM 0 HD23 LEU A 73 45.596 18.387 22.222 1.00 0.00 H new ATOM 1193 N ARG A 74 42.302 19.142 19.869 1.00 0.00 N ATOM 1194 CA ARG A 74 42.489 18.275 18.721 1.00 0.00 C ATOM 1195 C ARG A 74 41.521 18.728 17.634 1.00 0.00 C ATOM 1196 O ARG A 74 40.345 19.030 17.875 1.00 0.00 O ATOM 1197 CB ARG A 74 42.136 16.828 19.077 1.00 0.00 C ATOM 1198 CG ARG A 74 43.167 16.201 20.014 1.00 0.00 C ATOM 1199 CD ARG A 74 43.991 15.017 19.505 1.00 0.00 C ATOM 1200 NE ARG A 74 43.092 13.913 19.176 1.00 0.00 N ATOM 1201 CZ ARG A 74 43.534 12.725 18.755 1.00 0.00 C ATOM 1202 NH1 ARG A 74 44.833 12.374 18.763 1.00 0.00 N ATOM 1203 NH2 ARG A 74 42.614 11.800 18.446 1.00 0.00 N ATOM 0 H ARG A 74 41.751 18.687 20.597 1.00 0.00 H new ATOM 0 HA ARG A 74 43.528 18.327 18.396 1.00 0.00 H new ATOM 0 HB2 ARG A 74 41.154 16.800 19.548 1.00 0.00 H new ATOM 0 HB3 ARG A 74 42.069 16.236 18.164 1.00 0.00 H new ATOM 0 HG2 ARG A 74 43.863 16.985 20.313 1.00 0.00 H new ATOM 0 HG3 ARG A 74 42.644 15.878 20.914 1.00 0.00 H new ATOM 0 HD2 ARG A 74 44.565 15.309 18.626 1.00 0.00 H new ATOM 0 HD3 ARG A 74 44.708 14.704 20.264 1.00 0.00 H new ATOM 0 HE ARG A 74 42.087 14.055 19.272 1.00 0.00 H new ATOM 0 HH11 ARG A 74 45.536 13.030 19.103 1.00 0.00 H new ATOM 0 HH12 ARG A 74 45.114 11.452 18.429 1.00 0.00 H new ATOM 0 HH21 ARG A 74 41.622 12.018 18.537 1.00 0.00 H new ATOM 0 HH22 ARG A 74 42.906 10.879 18.120 1.00 0.00 H new ATOM 1217 N GLY A 75 41.930 18.653 16.374 1.00 0.00 N ATOM 1218 CA GLY A 75 41.089 18.926 15.217 1.00 0.00 C ATOM 1219 C GLY A 75 40.965 17.613 14.433 1.00 0.00 C ATOM 1220 O GLY A 75 40.634 16.563 14.969 1.00 0.00 O ATOM 0 H GLY A 75 42.884 18.393 16.122 1.00 0.00 H new ATOM 0 HA2 GLY A 75 40.108 19.283 15.529 1.00 0.00 H new ATOM 0 HA3 GLY A 75 41.529 19.706 14.596 1.00 0.00 H new ATOM 1224 N GLY A 76 41.265 17.703 13.143 1.00 0.00 N ATOM 1225 CA GLY A 76 40.991 16.668 12.171 1.00 0.00 C ATOM 1226 C GLY A 76 42.224 16.293 11.375 1.00 0.00 C ATOM 1227 O GLY A 76 43.364 16.764 11.558 1.00 0.00 O ATOM 1228 OXT GLY A 76 42.006 15.475 10.448 1.00 0.00 O ATOM 0 H GLY A 76 41.718 18.523 12.740 1.00 0.00 H new ATOM 0 HA2 GLY A 76 40.607 15.785 12.681 1.00 0.00 H new ATOM 0 HA3 GLY A 76 40.210 17.008 11.491 1.00 0.00 H new TER 1232 GLY A 76