USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 435 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 Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.134 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.0509 K(o=-0.051,f=-0.91) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -106:sc= -0.0366 (180deg=-0.308) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 164:sc=-0.00602 (180deg=-0.152) USER MOD Single : A 45 SER OG : rot 170:sc= -0.586 USER MOD Single : A 46 SER OG : rot -38:sc= 0.794 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -1.71 X(o=-1.7,f=-1.8!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -2.3 USER MOD Single : A 58 LYS NZ :NH3+ -164:sc= -0.0125 (180deg=-0.191) USER MOD Single : A 60 ASN : amide:sc= -1.3 K(o=-1.3,f=-6.3!) USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 -11.921 4.622 -1.290 1.00 0.00 N ATOM 19 CA LYS A 2 -12.435 3.325 -0.887 1.00 0.00 C ATOM 20 C LYS A 2 -11.428 2.239 -1.273 1.00 0.00 C ATOM 21 O LYS A 2 -11.263 1.931 -2.452 1.00 0.00 O ATOM 22 CB LYS A 2 -13.834 3.099 -1.465 1.00 0.00 C ATOM 23 CG LYS A 2 -14.837 4.092 -0.874 1.00 0.00 C ATOM 24 CD LYS A 2 -16.140 4.097 -1.677 1.00 0.00 C ATOM 25 CE LYS A 2 -16.866 5.436 -1.535 1.00 0.00 C ATOM 26 NZ LYS A 2 -17.944 5.550 -2.542 1.00 0.00 N ATOM 0 HA LYS A 2 -12.552 3.282 0.196 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -13.805 3.207 -2.549 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -14.158 2.080 -1.255 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -15.046 3.830 0.163 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -14.404 5.092 -0.869 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -15.924 3.906 -2.728 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -16.787 3.290 -1.332 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -17.286 5.524 -0.533 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -16.158 6.255 -1.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -18.427 6.465 -2.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -17.536 5.487 -3.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -18.628 4.779 -2.407 1.00 0.00 H new ATOM 39 N CYS A 3 -10.780 1.689 -0.256 1.00 0.00 N ATOM 40 CA CYS A 3 -9.794 0.645 -0.474 1.00 0.00 C ATOM 41 C CYS A 3 -10.080 -0.498 0.502 1.00 0.00 C ATOM 42 O CYS A 3 -11.071 -0.463 1.231 1.00 0.00 O ATOM 43 CB CYS A 3 -8.366 1.176 -0.328 1.00 0.00 C ATOM 44 SG CYS A 3 -7.682 1.961 -1.832 1.00 0.00 S ATOM 0 H CYS A 3 -10.919 1.947 0.721 1.00 0.00 H new ATOM 0 HA CYS A 3 -9.872 0.276 -1.497 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -8.344 1.901 0.485 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -7.715 0.352 -0.037 1.00 0.00 H new ATOM 49 N LYS A 4 -9.196 -1.484 0.484 1.00 0.00 N ATOM 50 CA LYS A 4 -9.342 -2.636 1.358 1.00 0.00 C ATOM 51 C LYS A 4 -8.546 -2.398 2.644 1.00 0.00 C ATOM 52 O LYS A 4 -7.526 -1.712 2.629 1.00 0.00 O ATOM 53 CB LYS A 4 -8.953 -3.920 0.623 1.00 0.00 C ATOM 54 CG LYS A 4 -10.103 -4.419 -0.254 1.00 0.00 C ATOM 55 CD LYS A 4 -9.719 -5.710 -0.979 1.00 0.00 C ATOM 56 CE LYS A 4 -10.885 -6.700 -0.993 1.00 0.00 C ATOM 57 NZ LYS A 4 -10.705 -7.699 -2.070 1.00 0.00 N ATOM 0 H LYS A 4 -8.376 -1.509 -0.122 1.00 0.00 H new ATOM 0 HA LYS A 4 -10.385 -2.766 1.646 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.073 -3.738 0.006 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.682 -4.689 1.346 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.986 -4.592 0.361 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -10.368 -3.653 -0.983 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.419 -5.481 -2.002 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.858 -6.164 -0.489 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.953 -7.204 -0.029 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.823 -6.164 -1.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.505 -8.363 -2.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.663 -7.215 -2.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.820 -8.222 -1.914 1.00 0.00 H new ATOM 70 N LYS A 5 -9.044 -2.979 3.726 1.00 0.00 N ATOM 71 CA LYS A 5 -8.392 -2.840 5.017 1.00 0.00 C ATOM 72 C LYS A 5 -7.275 -3.878 5.134 1.00 0.00 C ATOM 73 O LYS A 5 -6.947 -4.556 4.161 1.00 0.00 O ATOM 74 CB LYS A 5 -9.421 -2.913 6.147 1.00 0.00 C ATOM 75 CG LYS A 5 -10.199 -1.600 6.266 1.00 0.00 C ATOM 76 CD LYS A 5 -9.462 -0.607 7.167 1.00 0.00 C ATOM 77 CE LYS A 5 -9.607 -0.992 8.641 1.00 0.00 C ATOM 78 NZ LYS A 5 -8.277 -1.128 9.274 1.00 0.00 N ATOM 0 H LYS A 5 -9.891 -3.547 3.735 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.925 -1.859 5.105 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -10.113 -3.734 5.961 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.917 -3.128 7.089 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -10.339 -1.165 5.277 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -11.192 -1.797 6.671 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.406 -0.579 6.897 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.858 0.396 7.009 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -10.190 -0.235 9.165 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -10.154 -1.931 8.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.393 -1.390 10.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.733 -1.867 8.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -7.768 -0.223 9.210 1.00 0.00 H new ATOM 91 N LEU A 6 -6.721 -3.971 6.334 1.00 0.00 N ATOM 92 CA LEU A 6 -5.647 -4.916 6.592 1.00 0.00 C ATOM 93 C LEU A 6 -5.980 -6.253 5.927 1.00 0.00 C ATOM 94 O LEU A 6 -5.346 -6.638 4.946 1.00 0.00 O ATOM 95 CB LEU A 6 -5.379 -5.025 8.094 1.00 0.00 C ATOM 96 CG LEU A 6 -4.341 -4.056 8.663 1.00 0.00 C ATOM 97 CD1 LEU A 6 -5.008 -2.780 9.180 1.00 0.00 C ATOM 98 CD2 LEU A 6 -3.489 -4.734 9.738 1.00 0.00 C ATOM 0 H LEU A 6 -6.996 -3.408 7.139 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.715 -4.564 6.151 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -6.320 -4.870 8.623 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.055 -6.043 8.312 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.668 -3.764 7.857 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -4.248 -2.108 9.579 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.534 -2.288 8.362 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -5.718 -3.034 9.968 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.759 -4.023 10.126 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.131 -5.074 10.550 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.969 -5.588 9.305 1.00 0.00 H new ATOM 108 N VAL A 7 -6.975 -6.925 6.488 1.00 0.00 N ATOM 109 CA VAL A 7 -7.400 -8.211 5.962 1.00 0.00 C ATOM 110 C VAL A 7 -8.318 -7.987 4.759 1.00 0.00 C ATOM 111 O VAL A 7 -9.237 -7.172 4.818 1.00 0.00 O ATOM 112 CB VAL A 7 -8.056 -9.038 7.070 1.00 0.00 C ATOM 113 CG1 VAL A 7 -8.585 -10.365 6.522 1.00 0.00 C ATOM 114 CG2 VAL A 7 -7.086 -9.271 8.229 1.00 0.00 C ATOM 0 H VAL A 7 -7.499 -6.603 7.302 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.541 -8.784 5.612 1.00 0.00 H new ATOM 0 HB VAL A 7 -8.904 -8.471 7.454 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -9.046 -10.934 7.329 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -9.326 -10.169 5.747 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -7.760 -10.939 6.099 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -7.578 -9.861 9.002 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.208 -9.807 7.867 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.779 -8.311 8.645 1.00 0.00 H new ATOM 122 N PRO A 8 -8.029 -8.745 3.667 1.00 0.00 N ATOM 123 CA PRO A 8 -8.818 -8.637 2.452 1.00 0.00 C ATOM 124 C PRO A 8 -10.174 -9.327 2.615 1.00 0.00 C ATOM 125 O PRO A 8 -10.537 -10.188 1.815 1.00 0.00 O ATOM 126 CB PRO A 8 -7.959 -9.266 1.368 1.00 0.00 C ATOM 127 CG PRO A 8 -6.928 -10.115 2.093 1.00 0.00 C ATOM 128 CD PRO A 8 -6.949 -9.720 3.561 1.00 0.00 C ATOM 0 HA PRO A 8 -9.062 -7.605 2.200 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.563 -9.875 0.695 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.477 -8.501 0.759 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.158 -11.174 1.979 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -5.936 -9.956 1.669 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.131 -10.584 4.201 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.996 -9.290 3.869 1.00 0.00 H new ATOM 136 N LEU A 9 -10.886 -8.923 3.657 1.00 0.00 N ATOM 137 CA LEU A 9 -12.194 -9.491 3.936 1.00 0.00 C ATOM 138 C LEU A 9 -13.256 -8.396 3.823 1.00 0.00 C ATOM 139 O LEU A 9 -14.373 -8.653 3.376 1.00 0.00 O ATOM 140 CB LEU A 9 -12.190 -10.207 5.288 1.00 0.00 C ATOM 141 CG LEU A 9 -11.577 -11.609 5.304 1.00 0.00 C ATOM 142 CD1 LEU A 9 -11.458 -12.140 6.734 1.00 0.00 C ATOM 143 CD2 LEU A 9 -12.364 -12.561 4.402 1.00 0.00 C ATOM 0 H LEU A 9 -10.582 -8.209 4.318 1.00 0.00 H new ATOM 0 HA LEU A 9 -12.443 -10.254 3.198 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.649 -9.587 6.003 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -13.218 -10.278 5.642 1.00 0.00 H new ATOM 0 HG LEU A 9 -10.567 -11.545 4.900 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.019 -13.138 6.716 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.822 -11.474 7.318 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.448 -12.187 7.188 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -11.908 -13.550 4.431 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -13.394 -12.626 4.752 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.352 -12.186 3.379 1.00 0.00 H new ATOM 153 N PHE A 10 -12.871 -7.198 4.236 1.00 0.00 N ATOM 154 CA PHE A 10 -13.776 -6.062 4.187 1.00 0.00 C ATOM 155 C PHE A 10 -13.056 -4.808 3.686 1.00 0.00 C ATOM 156 O PHE A 10 -11.831 -4.720 3.759 1.00 0.00 O ATOM 157 CB PHE A 10 -14.265 -5.818 5.616 1.00 0.00 C ATOM 158 CG PHE A 10 -14.664 -7.092 6.363 1.00 0.00 C ATOM 159 CD1 PHE A 10 -15.834 -7.718 6.064 1.00 0.00 C ATOM 160 CD2 PHE A 10 -13.849 -7.599 7.327 1.00 0.00 C ATOM 161 CE1 PHE A 10 -16.204 -8.900 6.758 1.00 0.00 C ATOM 162 CE2 PHE A 10 -14.219 -8.781 8.020 1.00 0.00 C ATOM 163 CZ PHE A 10 -15.389 -9.407 7.721 1.00 0.00 C ATOM 0 H PHE A 10 -11.944 -6.989 4.606 1.00 0.00 H new ATOM 0 HA PHE A 10 -14.600 -6.272 3.505 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -13.479 -5.311 6.176 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -15.121 -5.143 5.586 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -16.481 -7.316 5.299 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -12.920 -7.102 7.565 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -17.133 -9.397 6.521 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -13.571 -9.184 8.785 1.00 0.00 H new ATOM 0 HZ PHE A 10 -15.671 -10.306 8.248 1.00 0.00 H new ATOM 173 N SER A 11 -13.848 -3.870 3.188 1.00 0.00 N ATOM 174 CA SER A 11 -13.301 -2.625 2.674 1.00 0.00 C ATOM 175 C SER A 11 -13.801 -1.448 3.515 1.00 0.00 C ATOM 176 O SER A 11 -14.895 -1.501 4.075 1.00 0.00 O ATOM 177 CB SER A 11 -13.675 -2.424 1.205 1.00 0.00 C ATOM 178 OG SER A 11 -15.056 -2.681 0.965 1.00 0.00 O ATOM 0 H SER A 11 -14.863 -3.947 3.129 1.00 0.00 H new ATOM 0 HA SER A 11 -12.214 -2.676 2.740 1.00 0.00 H new ATOM 0 HB2 SER A 11 -13.440 -1.402 0.908 1.00 0.00 H new ATOM 0 HB3 SER A 11 -13.070 -3.084 0.583 1.00 0.00 H new ATOM 0 HG SER A 11 -15.255 -2.540 0.016 1.00 0.00 H new ATOM 184 N LYS A 12 -12.976 -0.414 3.577 1.00 0.00 N ATOM 185 CA LYS A 12 -13.320 0.774 4.340 1.00 0.00 C ATOM 186 C LYS A 12 -12.823 2.015 3.595 1.00 0.00 C ATOM 187 O LYS A 12 -12.225 1.904 2.526 1.00 0.00 O ATOM 188 CB LYS A 12 -12.792 0.663 5.771 1.00 0.00 C ATOM 189 CG LYS A 12 -13.928 0.368 6.753 1.00 0.00 C ATOM 190 CD LYS A 12 -13.461 -0.573 7.866 1.00 0.00 C ATOM 191 CE LYS A 12 -14.261 -0.343 9.150 1.00 0.00 C ATOM 192 NZ LYS A 12 -14.738 -1.631 9.701 1.00 0.00 N ATOM 0 H LYS A 12 -12.069 -0.374 3.111 1.00 0.00 H new ATOM 0 HA LYS A 12 -14.402 0.868 4.431 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.044 -0.128 5.826 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -12.295 1.592 6.052 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -14.289 1.300 7.188 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -14.766 -0.081 6.220 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.574 -1.608 7.543 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -12.400 -0.414 8.061 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -13.639 0.166 9.886 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -15.110 0.308 8.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -15.279 -1.457 10.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -15.348 -2.103 9.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -13.923 -2.240 9.916 1.00 0.00 H new ATOM 205 N THR A 13 -13.088 3.168 4.190 1.00 0.00 N ATOM 206 CA THR A 13 -12.675 4.429 3.597 1.00 0.00 C ATOM 207 C THR A 13 -11.540 5.055 4.411 1.00 0.00 C ATOM 208 O THR A 13 -11.645 5.186 5.629 1.00 0.00 O ATOM 209 CB THR A 13 -13.909 5.326 3.486 1.00 0.00 C ATOM 210 OG1 THR A 13 -14.617 4.806 2.364 1.00 0.00 O ATOM 211 CG2 THR A 13 -13.558 6.757 3.074 1.00 0.00 C ATOM 0 H THR A 13 -13.584 3.256 5.077 1.00 0.00 H new ATOM 0 HA THR A 13 -12.271 4.281 2.595 1.00 0.00 H new ATOM 0 HB THR A 13 -14.433 5.342 4.442 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.433 5.329 2.221 1.00 0.00 H new ATOM 0 HG21 THR A 13 -14.470 7.351 3.010 1.00 0.00 H new ATOM 0 HG22 THR A 13 -12.890 7.196 3.815 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.064 6.745 2.103 1.00 0.00 H new ATOM 218 N CYS A 14 -10.482 5.424 3.704 1.00 0.00 N ATOM 219 CA CYS A 14 -9.329 6.032 4.345 1.00 0.00 C ATOM 220 C CYS A 14 -9.734 7.422 4.842 1.00 0.00 C ATOM 221 O CYS A 14 -10.462 8.141 4.161 1.00 0.00 O ATOM 222 CB CYS A 14 -8.124 6.091 3.404 1.00 0.00 C ATOM 223 SG CYS A 14 -7.833 4.568 2.433 1.00 0.00 S ATOM 0 H CYS A 14 -10.399 5.314 2.693 1.00 0.00 H new ATOM 0 HA CYS A 14 -9.016 5.421 5.192 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -8.260 6.924 2.714 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -7.232 6.306 3.992 1.00 0.00 H new ATOM 228 N PRO A 15 -9.230 7.766 6.058 1.00 0.00 N ATOM 229 CA PRO A 15 -9.531 9.056 6.654 1.00 0.00 C ATOM 230 C PRO A 15 -8.741 10.174 5.972 1.00 0.00 C ATOM 231 O PRO A 15 -7.786 9.908 5.243 1.00 0.00 O ATOM 232 CB PRO A 15 -9.187 8.899 8.127 1.00 0.00 C ATOM 233 CG PRO A 15 -8.275 7.687 8.214 1.00 0.00 C ATOM 234 CD PRO A 15 -8.364 6.940 6.894 1.00 0.00 C ATOM 0 HA PRO A 15 -10.575 9.342 6.530 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -8.690 9.790 8.509 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -10.087 8.755 8.725 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -7.248 7.996 8.409 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -8.576 7.041 9.039 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -7.380 6.815 6.443 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -8.781 5.942 7.031 1.00 0.00 H new ATOM 242 N ALA A 16 -9.167 11.401 6.231 1.00 0.00 N ATOM 243 CA ALA A 16 -8.511 12.560 5.651 1.00 0.00 C ATOM 244 C ALA A 16 -6.999 12.438 5.849 1.00 0.00 C ATOM 245 O ALA A 16 -6.543 11.748 6.760 1.00 0.00 O ATOM 246 CB ALA A 16 -9.080 13.836 6.276 1.00 0.00 C ATOM 0 H ALA A 16 -9.959 11.618 6.836 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.700 12.610 4.579 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.587 14.705 5.840 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -10.151 13.890 6.081 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.907 13.822 7.352 1.00 0.00 H new ATOM 251 N GLY A 17 -6.263 13.118 4.982 1.00 0.00 N ATOM 252 CA GLY A 17 -4.812 13.093 5.051 1.00 0.00 C ATOM 253 C GLY A 17 -4.245 11.918 4.253 1.00 0.00 C ATOM 254 O GLY A 17 -3.293 12.081 3.491 1.00 0.00 O ATOM 0 H GLY A 17 -6.644 13.690 4.228 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.410 14.029 4.663 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.495 13.017 6.091 1.00 0.00 H new ATOM 258 N LYS A 18 -4.853 10.758 4.455 1.00 0.00 N ATOM 259 CA LYS A 18 -4.421 9.555 3.764 1.00 0.00 C ATOM 260 C LYS A 18 -5.275 9.358 2.510 1.00 0.00 C ATOM 261 O LYS A 18 -6.321 8.715 2.562 1.00 0.00 O ATOM 262 CB LYS A 18 -4.438 8.356 4.714 1.00 0.00 C ATOM 263 CG LYS A 18 -4.070 8.779 6.138 1.00 0.00 C ATOM 264 CD LYS A 18 -2.603 9.205 6.222 1.00 0.00 C ATOM 265 CE LYS A 18 -1.920 8.582 7.441 1.00 0.00 C ATOM 266 NZ LYS A 18 -1.580 9.625 8.434 1.00 0.00 N ATOM 0 H LYS A 18 -5.642 10.626 5.088 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.387 9.656 3.434 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.428 7.899 4.711 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.736 7.599 4.363 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.710 9.603 6.453 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.252 7.953 6.825 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.080 8.903 5.314 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.539 10.292 6.281 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.578 7.841 7.894 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.016 8.058 7.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.117 9.185 9.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.935 10.318 8.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.449 10.106 8.743 1.00 0.00 H new ATOM 279 N ASN A 19 -4.796 9.925 1.412 1.00 0.00 N ATOM 280 CA ASN A 19 -5.502 9.819 0.146 1.00 0.00 C ATOM 281 C ASN A 19 -4.745 8.863 -0.777 1.00 0.00 C ATOM 282 O ASN A 19 -4.905 8.915 -1.996 1.00 0.00 O ATOM 283 CB ASN A 19 -5.590 11.179 -0.550 1.00 0.00 C ATOM 284 CG ASN A 19 -6.854 11.931 -0.127 1.00 0.00 C ATOM 285 OD1 ASN A 19 -7.490 11.619 0.866 1.00 0.00 O ATOM 286 ND2 ASN A 19 -7.181 12.935 -0.935 1.00 0.00 N ATOM 0 H ASN A 19 -3.928 10.459 1.373 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.508 9.452 0.350 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -4.710 11.774 -0.306 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -5.590 11.039 -1.631 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -8.009 13.498 -0.740 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -6.604 13.142 -1.750 1.00 0.00 H new ATOM 293 N LEU A 20 -3.936 8.013 -0.162 1.00 0.00 N ATOM 294 CA LEU A 20 -3.154 7.046 -0.913 1.00 0.00 C ATOM 295 C LEU A 20 -3.227 5.686 -0.218 1.00 0.00 C ATOM 296 O LEU A 20 -3.034 5.593 0.993 1.00 0.00 O ATOM 297 CB LEU A 20 -1.726 7.556 -1.118 1.00 0.00 C ATOM 298 CG LEU A 20 -1.556 8.680 -2.142 1.00 0.00 C ATOM 299 CD1 LEU A 20 -0.081 9.053 -2.307 1.00 0.00 C ATOM 300 CD2 LEU A 20 -2.206 8.309 -3.477 1.00 0.00 C ATOM 0 H LEU A 20 -3.805 7.974 0.849 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.568 6.915 -1.913 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.345 7.905 -0.158 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.102 6.716 -1.423 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.072 9.564 -1.767 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.012 9.854 -3.040 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.319 9.389 -1.350 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.479 8.182 -2.648 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.071 9.125 -4.187 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.740 7.405 -3.870 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.271 8.132 -3.326 1.00 0.00 H new ATOM 310 N CYS A 21 -3.506 4.664 -1.014 1.00 0.00 N ATOM 311 CA CYS A 21 -3.608 3.313 -0.490 1.00 0.00 C ATOM 312 C CYS A 21 -2.272 2.605 -0.726 1.00 0.00 C ATOM 313 O CYS A 21 -1.736 2.636 -1.833 1.00 0.00 O ATOM 314 CB CYS A 21 -4.777 2.549 -1.115 1.00 0.00 C ATOM 315 SG CYS A 21 -6.407 3.362 -0.937 1.00 0.00 S ATOM 0 H CYS A 21 -3.665 4.745 -2.018 1.00 0.00 H new ATOM 0 HA CYS A 21 -3.816 3.350 0.579 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -4.573 2.404 -2.176 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -4.829 1.559 -0.663 1.00 0.00 H new ATOM 320 N TYR A 22 -1.773 1.983 0.332 1.00 0.00 N ATOM 321 CA TYR A 22 -0.510 1.268 0.254 1.00 0.00 C ATOM 322 C TYR A 22 -0.679 -0.192 0.678 1.00 0.00 C ATOM 323 O TYR A 22 -1.619 -0.529 1.397 1.00 0.00 O ATOM 324 CB TYR A 22 0.431 1.966 1.237 1.00 0.00 C ATOM 325 CG TYR A 22 0.265 1.511 2.688 1.00 0.00 C ATOM 326 CD1 TYR A 22 0.975 0.424 3.155 1.00 0.00 C ATOM 327 CD2 TYR A 22 -0.595 2.187 3.529 1.00 0.00 C ATOM 328 CE1 TYR A 22 0.819 -0.005 4.521 1.00 0.00 C ATOM 329 CE2 TYR A 22 -0.751 1.758 4.895 1.00 0.00 C ATOM 330 CZ TYR A 22 -0.037 0.683 5.323 1.00 0.00 C ATOM 331 OH TYR A 22 -0.184 0.278 6.613 1.00 0.00 O ATOM 0 H TYR A 22 -2.220 1.959 1.248 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.128 1.274 -0.767 1.00 0.00 H new ATOM 0 HB2 TYR A 22 1.461 1.788 0.927 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.263 3.042 1.183 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.648 -0.105 2.496 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -1.151 3.038 3.163 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.369 -0.854 4.900 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.420 2.278 5.564 1.00 0.00 H new ATOM 0 HH TYR A 22 -0.826 0.862 7.068 1.00 0.00 H new ATOM 341 N LYS A 23 0.245 -1.020 0.214 1.00 0.00 N ATOM 342 CA LYS A 23 0.210 -2.437 0.536 1.00 0.00 C ATOM 343 C LYS A 23 1.640 -2.952 0.706 1.00 0.00 C ATOM 344 O LYS A 23 2.462 -2.822 -0.199 1.00 0.00 O ATOM 345 CB LYS A 23 -0.600 -3.205 -0.510 1.00 0.00 C ATOM 346 CG LYS A 23 0.054 -3.107 -1.890 1.00 0.00 C ATOM 347 CD LYS A 23 -0.704 -3.950 -2.917 1.00 0.00 C ATOM 348 CE LYS A 23 -0.466 -3.430 -4.336 1.00 0.00 C ATOM 349 NZ LYS A 23 -0.226 -4.556 -5.267 1.00 0.00 N ATOM 0 H LYS A 23 1.023 -0.737 -0.382 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.303 -2.599 1.484 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.682 -4.251 -0.216 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.614 -2.807 -0.555 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.075 -2.066 -2.213 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.089 -3.444 -1.831 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.383 -4.989 -2.848 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.771 -3.931 -2.693 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.329 -2.853 -4.668 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.390 -2.755 -4.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.066 -4.186 -6.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.611 -5.090 -4.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.054 -5.185 -5.272 1.00 0.00 H new ATOM 362 N MET A 24 1.894 -3.527 1.873 1.00 0.00 N ATOM 363 CA MET A 24 3.211 -4.063 2.173 1.00 0.00 C ATOM 364 C MET A 24 3.252 -5.575 1.947 1.00 0.00 C ATOM 365 O MET A 24 2.376 -6.301 2.417 1.00 0.00 O ATOM 366 CB MET A 24 3.568 -3.753 3.628 1.00 0.00 C ATOM 367 CG MET A 24 3.691 -2.245 3.854 1.00 0.00 C ATOM 368 SD MET A 24 4.307 -1.922 5.498 1.00 0.00 S ATOM 369 CE MET A 24 5.122 -0.359 5.222 1.00 0.00 C ATOM 0 H MET A 24 1.210 -3.633 2.622 1.00 0.00 H new ATOM 0 HA MET A 24 3.934 -3.596 1.505 1.00 0.00 H new ATOM 0 HB2 MET A 24 2.804 -4.162 4.289 1.00 0.00 H new ATOM 0 HB3 MET A 24 4.508 -4.241 3.887 1.00 0.00 H new ATOM 0 HG2 MET A 24 4.363 -1.812 3.113 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.720 -1.769 3.721 1.00 0.00 H new ATOM 0 HE1 MET A 24 6.202 -0.507 5.218 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.808 0.050 4.262 1.00 0.00 H new ATOM 0 HE3 MET A 24 4.854 0.336 6.018 1.00 0.00 H new ATOM 378 N PHE A 25 4.277 -6.007 1.228 1.00 0.00 N ATOM 379 CA PHE A 25 4.444 -7.420 0.934 1.00 0.00 C ATOM 380 C PHE A 25 5.922 -7.812 0.950 1.00 0.00 C ATOM 381 O PHE A 25 6.797 -6.959 0.805 1.00 0.00 O ATOM 382 CB PHE A 25 3.881 -7.654 -0.469 1.00 0.00 C ATOM 383 CG PHE A 25 4.709 -7.017 -1.586 1.00 0.00 C ATOM 384 CD1 PHE A 25 5.837 -7.632 -2.032 1.00 0.00 C ATOM 385 CD2 PHE A 25 4.318 -5.835 -2.134 1.00 0.00 C ATOM 386 CE1 PHE A 25 6.606 -7.041 -3.069 1.00 0.00 C ATOM 387 CE2 PHE A 25 5.086 -5.244 -3.171 1.00 0.00 C ATOM 388 CZ PHE A 25 6.214 -5.859 -3.617 1.00 0.00 C ATOM 0 H PHE A 25 5.001 -5.403 0.840 1.00 0.00 H new ATOM 0 HA PHE A 25 3.929 -8.020 1.684 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.813 -8.727 -0.648 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.866 -7.259 -0.513 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.148 -8.570 -1.597 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.423 -5.346 -1.780 1.00 0.00 H new ATOM 0 HE1 PHE A 25 7.502 -7.530 -3.423 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.775 -4.306 -3.606 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.798 -5.409 -4.406 1.00 0.00 H new ATOM 398 N MET A 26 6.157 -9.104 1.128 1.00 0.00 N ATOM 399 CA MET A 26 7.515 -9.620 1.164 1.00 0.00 C ATOM 400 C MET A 26 7.971 -10.062 -0.228 1.00 0.00 C ATOM 401 O MET A 26 7.160 -10.501 -1.041 1.00 0.00 O ATOM 402 CB MET A 26 7.583 -10.809 2.125 1.00 0.00 C ATOM 403 CG MET A 26 7.412 -10.353 3.575 1.00 0.00 C ATOM 404 SD MET A 26 8.098 -11.572 4.684 1.00 0.00 S ATOM 405 CE MET A 26 7.357 -11.046 6.220 1.00 0.00 C ATOM 0 H MET A 26 5.430 -9.809 1.249 1.00 0.00 H new ATOM 0 HA MET A 26 8.177 -8.825 1.507 1.00 0.00 H new ATOM 0 HB2 MET A 26 6.805 -11.530 1.873 1.00 0.00 H new ATOM 0 HB3 MET A 26 8.540 -11.319 2.011 1.00 0.00 H new ATOM 0 HG2 MET A 26 7.908 -9.394 3.724 1.00 0.00 H new ATOM 0 HG3 MET A 26 6.355 -10.203 3.795 1.00 0.00 H new ATOM 0 HE1 MET A 26 7.682 -11.705 7.025 1.00 0.00 H new ATOM 0 HE2 MET A 26 7.664 -10.024 6.441 1.00 0.00 H new ATOM 0 HE3 MET A 26 6.271 -11.088 6.133 1.00 0.00 H new ATOM 414 N VAL A 27 9.269 -9.929 -0.459 1.00 0.00 N ATOM 415 CA VAL A 27 9.843 -10.309 -1.739 1.00 0.00 C ATOM 416 C VAL A 27 9.554 -11.787 -2.005 1.00 0.00 C ATOM 417 O VAL A 27 9.692 -12.257 -3.133 1.00 0.00 O ATOM 418 CB VAL A 27 11.337 -9.979 -1.760 1.00 0.00 C ATOM 419 CG1 VAL A 27 12.111 -10.880 -0.796 1.00 0.00 C ATOM 420 CG2 VAL A 27 11.901 -10.082 -3.179 1.00 0.00 C ATOM 0 H VAL A 27 9.939 -9.564 0.218 1.00 0.00 H new ATOM 0 HA VAL A 27 9.385 -9.738 -2.547 1.00 0.00 H new ATOM 0 HB VAL A 27 11.457 -8.949 -1.425 1.00 0.00 H new ATOM 0 HG11 VAL A 27 13.170 -10.625 -0.830 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.736 -10.736 0.217 1.00 0.00 H new ATOM 0 HG13 VAL A 27 11.979 -11.922 -1.087 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.964 -9.843 -3.166 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.762 -11.096 -3.553 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.379 -9.380 -3.830 1.00 0.00 H new ATOM 428 N ALA A 28 9.157 -12.479 -0.947 1.00 0.00 N ATOM 429 CA ALA A 28 8.846 -13.895 -1.052 1.00 0.00 C ATOM 430 C ALA A 28 8.174 -14.166 -2.399 1.00 0.00 C ATOM 431 O ALA A 28 8.512 -15.132 -3.082 1.00 0.00 O ATOM 432 CB ALA A 28 7.972 -14.315 0.131 1.00 0.00 C ATOM 0 H ALA A 28 9.044 -12.086 -0.013 1.00 0.00 H new ATOM 0 HA ALA A 28 9.757 -14.492 -1.012 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.739 -15.377 0.052 1.00 0.00 H new ATOM 0 HB2 ALA A 28 8.507 -14.129 1.062 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.047 -13.739 0.122 1.00 0.00 H new ATOM 437 N ALA A 29 7.233 -13.297 -2.741 1.00 0.00 N ATOM 438 CA ALA A 29 6.510 -13.431 -3.994 1.00 0.00 C ATOM 439 C ALA A 29 6.184 -12.040 -4.541 1.00 0.00 C ATOM 440 O ALA A 29 6.044 -11.086 -3.778 1.00 0.00 O ATOM 441 CB ALA A 29 5.256 -14.279 -3.772 1.00 0.00 C ATOM 0 H ALA A 29 6.955 -12.498 -2.172 1.00 0.00 H new ATOM 0 HA ALA A 29 7.122 -13.942 -4.737 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.714 -14.379 -4.712 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.544 -15.267 -3.412 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.616 -13.796 -3.034 1.00 0.00 H new ATOM 446 N PRO A 30 6.071 -11.967 -5.894 1.00 0.00 N ATOM 447 CA PRO A 30 5.764 -10.708 -6.553 1.00 0.00 C ATOM 448 C PRO A 30 4.290 -10.342 -6.374 1.00 0.00 C ATOM 449 O PRO A 30 3.917 -9.176 -6.497 1.00 0.00 O ATOM 450 CB PRO A 30 6.152 -10.920 -8.007 1.00 0.00 C ATOM 451 CG PRO A 30 6.224 -12.426 -8.204 1.00 0.00 C ATOM 452 CD PRO A 30 6.231 -13.076 -6.830 1.00 0.00 C ATOM 0 HA PRO A 30 6.311 -9.866 -6.128 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.417 -10.473 -8.676 1.00 0.00 H new ATOM 0 HB3 PRO A 30 7.111 -10.451 -8.228 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.372 -12.776 -8.787 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.123 -12.696 -8.759 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.421 -13.799 -6.730 1.00 0.00 H new ATOM 0 HD3 PRO A 30 7.162 -13.614 -6.651 1.00 0.00 H new ATOM 460 N HIS A 31 3.490 -11.359 -6.088 1.00 0.00 N ATOM 461 CA HIS A 31 2.065 -11.158 -5.892 1.00 0.00 C ATOM 462 C HIS A 31 1.605 -11.923 -4.650 1.00 0.00 C ATOM 463 O HIS A 31 0.764 -12.816 -4.742 1.00 0.00 O ATOM 464 CB HIS A 31 1.283 -11.545 -7.149 1.00 0.00 C ATOM 465 CG HIS A 31 -0.051 -10.852 -7.281 1.00 0.00 C ATOM 466 ND1 HIS A 31 -0.299 -9.875 -8.230 1.00 0.00 N ATOM 467 CD2 HIS A 31 -1.209 -11.005 -6.575 1.00 0.00 C ATOM 468 CE1 HIS A 31 -1.551 -9.465 -8.091 1.00 0.00 C ATOM 469 NE2 HIS A 31 -2.113 -10.166 -7.065 1.00 0.00 N ATOM 0 H HIS A 31 3.802 -12.325 -5.987 1.00 0.00 H new ATOM 0 HA HIS A 31 1.864 -10.100 -5.721 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.888 -11.315 -8.026 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.122 -12.623 -7.146 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -1.363 -11.692 -5.756 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -2.041 -8.708 -8.686 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -3.071 -10.062 -6.729 1.00 0.00 H new ATOM 477 N VAL A 32 2.177 -11.545 -3.516 1.00 0.00 N ATOM 478 CA VAL A 32 1.836 -12.184 -2.256 1.00 0.00 C ATOM 479 C VAL A 32 2.051 -11.192 -1.111 1.00 0.00 C ATOM 480 O VAL A 32 3.112 -11.178 -0.489 1.00 0.00 O ATOM 481 CB VAL A 32 2.643 -13.474 -2.089 1.00 0.00 C ATOM 482 CG1 VAL A 32 2.489 -14.037 -0.675 1.00 0.00 C ATOM 483 CG2 VAL A 32 2.241 -14.511 -3.139 1.00 0.00 C ATOM 0 H VAL A 32 2.874 -10.804 -3.443 1.00 0.00 H new ATOM 0 HA VAL A 32 0.784 -12.470 -2.245 1.00 0.00 H new ATOM 0 HB VAL A 32 3.695 -13.234 -2.241 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.072 -14.953 -0.583 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.847 -13.305 0.049 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.438 -14.255 -0.482 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.829 -15.418 -2.998 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.182 -14.745 -3.032 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.425 -14.110 -4.136 1.00 0.00 H new ATOM 491 N PRO A 33 1.001 -10.365 -0.863 1.00 0.00 N ATOM 492 CA PRO A 33 1.064 -9.372 0.196 1.00 0.00 C ATOM 493 C PRO A 33 0.919 -10.027 1.572 1.00 0.00 C ATOM 494 O PRO A 33 0.504 -11.180 1.673 1.00 0.00 O ATOM 495 CB PRO A 33 -0.055 -8.392 -0.116 1.00 0.00 C ATOM 496 CG PRO A 33 -0.993 -9.119 -1.065 1.00 0.00 C ATOM 497 CD PRO A 33 -0.271 -10.354 -1.580 1.00 0.00 C ATOM 0 HA PRO A 33 2.025 -8.859 0.235 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.575 -8.091 0.793 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.337 -7.484 -0.574 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.912 -9.401 -0.552 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.277 -8.470 -1.893 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -0.845 -11.259 -1.383 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.118 -10.303 -2.658 1.00 0.00 H new ATOM 505 N VAL A 34 1.269 -9.263 2.595 1.00 0.00 N ATOM 506 CA VAL A 34 1.183 -9.754 3.960 1.00 0.00 C ATOM 507 C VAL A 34 0.152 -8.928 4.731 1.00 0.00 C ATOM 508 O VAL A 34 -0.616 -9.471 5.525 1.00 0.00 O ATOM 509 CB VAL A 34 2.568 -9.738 4.610 1.00 0.00 C ATOM 510 CG1 VAL A 34 2.990 -8.311 4.967 1.00 0.00 C ATOM 511 CG2 VAL A 34 2.606 -10.646 5.841 1.00 0.00 C ATOM 0 H VAL A 34 1.613 -8.307 2.507 1.00 0.00 H new ATOM 0 HA VAL A 34 0.844 -10.790 3.972 1.00 0.00 H new ATOM 0 HB VAL A 34 3.283 -10.127 3.885 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.978 -8.328 5.427 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.022 -7.704 4.062 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.271 -7.883 5.666 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.601 -10.617 6.284 1.00 0.00 H new ATOM 0 HG22 VAL A 34 1.874 -10.301 6.571 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.370 -11.669 5.546 1.00 0.00 H new ATOM 519 N LYS A 35 0.166 -7.629 4.470 1.00 0.00 N ATOM 520 CA LYS A 35 -0.759 -6.723 5.130 1.00 0.00 C ATOM 521 C LYS A 35 -0.959 -5.482 4.258 1.00 0.00 C ATOM 522 O LYS A 35 -0.228 -5.274 3.290 1.00 0.00 O ATOM 523 CB LYS A 35 -0.280 -6.407 6.548 1.00 0.00 C ATOM 524 CG LYS A 35 -0.991 -7.289 7.576 1.00 0.00 C ATOM 525 CD LYS A 35 0.009 -7.906 8.555 1.00 0.00 C ATOM 526 CE LYS A 35 -0.030 -7.188 9.906 1.00 0.00 C ATOM 527 NZ LYS A 35 0.722 -5.915 9.838 1.00 0.00 N ATOM 0 H LYS A 35 0.803 -7.182 3.811 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.735 -7.193 5.246 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.797 -6.561 6.615 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.467 -5.357 6.773 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.723 -6.696 8.124 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.540 -8.080 7.064 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.218 -8.963 8.694 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.014 -7.849 8.138 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.064 -6.992 10.191 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.397 -7.829 10.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.686 -5.440 10.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.712 -6.110 9.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 0.297 -5.299 9.116 1.00 0.00 H new ATOM 540 N ARG A 36 -1.951 -4.661 4.606 1.00 0.00 N ATOM 541 CA ARG A 36 -2.243 -3.453 3.860 1.00 0.00 C ATOM 542 C ARG A 36 -2.873 -2.418 4.781 1.00 0.00 C ATOM 543 O ARG A 36 -3.310 -2.747 5.881 1.00 0.00 O ATOM 544 CB ARG A 36 -3.178 -3.786 2.701 1.00 0.00 C ATOM 545 CG ARG A 36 -2.521 -4.826 1.799 1.00 0.00 C ATOM 546 CD ARG A 36 -3.198 -4.816 0.432 1.00 0.00 C ATOM 547 NE ARG A 36 -4.540 -5.394 0.507 1.00 0.00 N ATOM 548 CZ ARG A 36 -5.143 -5.969 -0.543 1.00 0.00 C ATOM 549 NH1 ARG A 36 -4.514 -6.032 -1.725 1.00 0.00 N ATOM 550 NH2 ARG A 36 -6.375 -6.479 -0.412 1.00 0.00 N ATOM 0 H ARG A 36 -2.564 -4.819 5.406 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.320 -3.037 3.457 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.126 -4.167 3.082 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.403 -2.885 2.131 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.458 -4.610 1.692 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.601 -5.816 2.249 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.259 -3.793 0.060 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.595 -5.379 -0.280 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.038 -5.358 1.396 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.577 -5.642 -1.825 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.973 -6.470 -2.524 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.854 -6.430 0.487 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.834 -6.916 -1.211 1.00 0.00 H new ATOM 564 N GLY A 37 -2.903 -1.183 4.299 1.00 0.00 N ATOM 565 CA GLY A 37 -3.476 -0.094 5.071 1.00 0.00 C ATOM 566 C GLY A 37 -3.520 1.196 4.249 1.00 0.00 C ATOM 567 O GLY A 37 -3.130 1.207 3.082 1.00 0.00 O ATOM 0 H GLY A 37 -2.540 -0.914 3.385 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.483 -0.361 5.390 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.887 0.066 5.974 1.00 0.00 H new ATOM 571 N CYS A 38 -3.998 2.253 4.890 1.00 0.00 N ATOM 572 CA CYS A 38 -4.098 3.545 4.233 1.00 0.00 C ATOM 573 C CYS A 38 -2.988 4.447 4.775 1.00 0.00 C ATOM 574 O CYS A 38 -2.679 4.410 5.965 1.00 0.00 O ATOM 575 CB CYS A 38 -5.483 4.169 4.420 1.00 0.00 C ATOM 576 SG CYS A 38 -6.842 3.293 3.563 1.00 0.00 S ATOM 0 H CYS A 38 -4.320 2.241 5.858 1.00 0.00 H new ATOM 0 HA CYS A 38 -3.970 3.420 3.158 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -5.708 4.206 5.486 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -5.453 5.199 4.065 1.00 0.00 H new ATOM 581 N ILE A 39 -2.418 5.235 3.876 1.00 0.00 N ATOM 582 CA ILE A 39 -1.348 6.145 4.249 1.00 0.00 C ATOM 583 C ILE A 39 -1.427 7.402 3.380 1.00 0.00 C ATOM 584 O ILE A 39 -2.296 7.510 2.517 1.00 0.00 O ATOM 585 CB ILE A 39 0.006 5.436 4.183 1.00 0.00 C ATOM 586 CG1 ILE A 39 0.917 5.886 5.327 1.00 0.00 C ATOM 587 CG2 ILE A 39 0.663 5.635 2.815 1.00 0.00 C ATOM 588 CD1 ILE A 39 0.879 4.886 6.484 1.00 0.00 C ATOM 0 H ILE A 39 -2.677 5.262 2.890 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.464 6.465 5.284 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.162 4.366 4.307 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.940 5.988 4.964 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.604 6.869 5.680 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.624 5.121 2.795 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.017 5.227 2.038 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.817 6.699 2.637 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.535 5.230 7.284 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.140 4.804 6.861 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.215 3.910 6.133 1.00 0.00 H new ATOM 598 N ASP A 40 -0.516 8.349 3.614 1.00 0.00 N ATOM 599 CA ASP A 40 -0.487 9.585 2.859 1.00 0.00 C ATOM 600 C ASP A 40 0.745 9.614 1.965 1.00 0.00 C ATOM 601 O ASP A 40 0.670 10.041 0.815 1.00 0.00 O ATOM 602 CB ASP A 40 -0.484 10.769 3.822 1.00 0.00 C ATOM 603 CG ASP A 40 0.628 10.629 4.852 1.00 0.00 C ATOM 604 OD1 ASP A 40 1.299 11.653 5.105 1.00 0.00 O ATOM 605 OD2 ASP A 40 0.787 9.501 5.366 1.00 0.00 O ATOM 0 H ASP A 40 0.211 8.274 4.326 1.00 0.00 H new ATOM 0 HA ASP A 40 -1.372 9.650 2.227 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -0.354 11.696 3.264 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.447 10.834 4.328 1.00 0.00 H new ATOM 611 N VAL A 41 1.855 9.154 2.525 1.00 0.00 N ATOM 612 CA VAL A 41 3.107 9.123 1.788 1.00 0.00 C ATOM 613 C VAL A 41 3.592 7.676 1.677 1.00 0.00 C ATOM 614 O VAL A 41 3.270 6.843 2.522 1.00 0.00 O ATOM 615 CB VAL A 41 4.129 10.047 2.453 1.00 0.00 C ATOM 616 CG1 VAL A 41 3.668 11.505 2.398 1.00 0.00 C ATOM 617 CG2 VAL A 41 4.404 9.613 3.894 1.00 0.00 C ATOM 0 H VAL A 41 1.913 8.800 3.480 1.00 0.00 H new ATOM 0 HA VAL A 41 2.963 9.497 0.774 1.00 0.00 H new ATOM 0 HB VAL A 41 5.063 9.970 1.896 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.413 12.140 2.878 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.547 11.809 1.358 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.716 11.605 2.919 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.134 10.286 4.344 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.478 9.647 4.467 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.797 8.596 3.899 1.00 0.00 H new ATOM 625 N CYS A 42 4.360 7.422 0.627 1.00 0.00 N ATOM 626 CA CYS A 42 4.893 6.091 0.394 1.00 0.00 C ATOM 627 C CYS A 42 6.257 5.993 1.079 1.00 0.00 C ATOM 628 O CYS A 42 7.120 6.846 0.878 1.00 0.00 O ATOM 629 CB CYS A 42 4.980 5.769 -1.099 1.00 0.00 C ATOM 630 SG CYS A 42 4.520 4.055 -1.544 1.00 0.00 S ATOM 0 H CYS A 42 4.626 8.116 -0.072 1.00 0.00 H new ATOM 0 HA CYS A 42 4.219 5.348 0.820 1.00 0.00 H new ATOM 0 HB2 CYS A 42 4.332 6.457 -1.643 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.999 5.956 -1.438 1.00 0.00 H new ATOM 635 N PRO A 43 6.414 4.917 1.896 1.00 0.00 N ATOM 636 CA PRO A 43 7.659 4.696 2.612 1.00 0.00 C ATOM 637 C PRO A 43 8.750 4.184 1.670 1.00 0.00 C ATOM 638 O PRO A 43 8.456 3.706 0.575 1.00 0.00 O ATOM 639 CB PRO A 43 7.310 3.706 3.712 1.00 0.00 C ATOM 640 CG PRO A 43 6.003 3.056 3.288 1.00 0.00 C ATOM 641 CD PRO A 43 5.414 3.886 2.159 1.00 0.00 C ATOM 0 HA PRO A 43 8.069 5.613 3.035 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.096 2.961 3.831 1.00 0.00 H new ATOM 0 HB3 PRO A 43 7.202 4.211 4.672 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.176 2.031 2.959 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.310 3.008 4.128 1.00 0.00 H new ATOM 0 HD2 PRO A 43 5.231 3.277 1.274 1.00 0.00 H new ATOM 0 HD3 PRO A 43 4.459 4.325 2.447 1.00 0.00 H new ATOM 649 N LYS A 44 9.987 4.300 2.130 1.00 0.00 N ATOM 650 CA LYS A 44 11.124 3.854 1.342 1.00 0.00 C ATOM 651 C LYS A 44 10.995 2.353 1.073 1.00 0.00 C ATOM 652 O LYS A 44 10.568 1.597 1.944 1.00 0.00 O ATOM 653 CB LYS A 44 12.436 4.245 2.025 1.00 0.00 C ATOM 654 CG LYS A 44 13.639 3.693 1.259 1.00 0.00 C ATOM 655 CD LYS A 44 14.853 4.612 1.406 1.00 0.00 C ATOM 656 CE LYS A 44 15.889 4.331 0.317 1.00 0.00 C ATOM 657 NZ LYS A 44 15.433 4.868 -0.984 1.00 0.00 N ATOM 0 H LYS A 44 10.227 4.696 3.039 1.00 0.00 H new ATOM 0 HA LYS A 44 11.135 4.353 0.373 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.508 5.331 2.088 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.445 3.865 3.047 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.885 2.698 1.630 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.385 3.586 0.204 1.00 0.00 H new ATOM 0 HD2 LYS A 44 14.534 5.653 1.350 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.305 4.469 2.388 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.843 4.783 0.589 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.057 3.257 0.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.238 4.916 -1.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.700 4.245 -1.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.040 5.821 -0.848 1.00 0.00 H new ATOM 670 N SER A 45 11.371 1.967 -0.137 1.00 0.00 N ATOM 671 CA SER A 45 11.303 0.571 -0.533 1.00 0.00 C ATOM 672 C SER A 45 12.693 -0.064 -0.453 1.00 0.00 C ATOM 673 O SER A 45 13.676 0.529 -0.894 1.00 0.00 O ATOM 674 CB SER A 45 10.733 0.425 -1.945 1.00 0.00 C ATOM 675 OG SER A 45 9.317 0.265 -1.935 1.00 0.00 O ATOM 0 H SER A 45 11.724 2.597 -0.857 1.00 0.00 H new ATOM 0 HA SER A 45 10.634 0.053 0.154 1.00 0.00 H new ATOM 0 HB2 SER A 45 10.994 1.304 -2.534 1.00 0.00 H new ATOM 0 HB3 SER A 45 11.192 -0.434 -2.434 1.00 0.00 H new ATOM 0 HG SER A 45 8.973 0.337 -2.850 1.00 0.00 H new ATOM 681 N SER A 46 12.730 -1.262 0.112 1.00 0.00 N ATOM 682 CA SER A 46 13.983 -1.984 0.254 1.00 0.00 C ATOM 683 C SER A 46 13.956 -3.253 -0.599 1.00 0.00 C ATOM 684 O SER A 46 12.969 -3.526 -1.280 1.00 0.00 O ATOM 685 CB SER A 46 14.252 -2.335 1.719 1.00 0.00 C ATOM 686 OG SER A 46 13.575 -3.524 2.116 1.00 0.00 O ATOM 0 H SER A 46 11.912 -1.751 0.477 1.00 0.00 H new ATOM 0 HA SER A 46 14.791 -1.339 -0.092 1.00 0.00 H new ATOM 0 HB2 SER A 46 15.324 -2.460 1.871 1.00 0.00 H new ATOM 0 HB3 SER A 46 13.935 -1.508 2.354 1.00 0.00 H new ATOM 0 HG SER A 46 12.690 -3.553 1.696 1.00 0.00 H new ATOM 692 N LEU A 47 15.052 -3.994 -0.535 1.00 0.00 N ATOM 693 CA LEU A 47 15.167 -5.228 -1.294 1.00 0.00 C ATOM 694 C LEU A 47 14.381 -6.333 -0.585 1.00 0.00 C ATOM 695 O LEU A 47 13.603 -7.049 -1.214 1.00 0.00 O ATOM 696 CB LEU A 47 16.637 -5.576 -1.532 1.00 0.00 C ATOM 697 CG LEU A 47 17.505 -4.459 -2.116 1.00 0.00 C ATOM 698 CD1 LEU A 47 18.946 -4.566 -1.615 1.00 0.00 C ATOM 699 CD2 LEU A 47 17.428 -4.447 -3.644 1.00 0.00 C ATOM 0 H LEU A 47 15.869 -3.764 0.031 1.00 0.00 H new ATOM 0 HA LEU A 47 14.727 -5.108 -2.284 1.00 0.00 H new ATOM 0 HB2 LEU A 47 17.073 -5.890 -0.584 1.00 0.00 H new ATOM 0 HB3 LEU A 47 16.683 -6.433 -2.204 1.00 0.00 H new ATOM 0 HG LEU A 47 17.113 -3.504 -1.767 1.00 0.00 H new ATOM 0 HD11 LEU A 47 19.541 -3.761 -2.045 1.00 0.00 H new ATOM 0 HD12 LEU A 47 18.960 -4.487 -0.528 1.00 0.00 H new ATOM 0 HD13 LEU A 47 19.365 -5.527 -1.915 1.00 0.00 H new ATOM 0 HD21 LEU A 47 18.054 -3.644 -4.034 1.00 0.00 H new ATOM 0 HD22 LEU A 47 17.780 -5.402 -4.034 1.00 0.00 H new ATOM 0 HD23 LEU A 47 16.396 -4.286 -3.955 1.00 0.00 H new ATOM 709 N LEU A 48 14.610 -6.436 0.716 1.00 0.00 N ATOM 710 CA LEU A 48 13.933 -7.442 1.518 1.00 0.00 C ATOM 711 C LEU A 48 12.422 -7.324 1.306 1.00 0.00 C ATOM 712 O LEU A 48 11.779 -8.272 0.858 1.00 0.00 O ATOM 713 CB LEU A 48 14.359 -7.334 2.984 1.00 0.00 C ATOM 714 CG LEU A 48 13.855 -8.442 3.911 1.00 0.00 C ATOM 715 CD1 LEU A 48 14.976 -9.427 4.248 1.00 0.00 C ATOM 716 CD2 LEU A 48 13.212 -7.853 5.169 1.00 0.00 C ATOM 0 H LEU A 48 15.255 -5.840 1.235 1.00 0.00 H new ATOM 0 HA LEU A 48 14.223 -8.443 1.199 1.00 0.00 H new ATOM 0 HB2 LEU A 48 15.448 -7.320 3.025 1.00 0.00 H new ATOM 0 HB3 LEU A 48 14.013 -6.376 3.373 1.00 0.00 H new ATOM 0 HG LEU A 48 13.082 -9.002 3.386 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.591 -10.204 4.908 1.00 0.00 H new ATOM 0 HD12 LEU A 48 15.349 -9.882 3.330 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.788 -8.897 4.746 1.00 0.00 H new ATOM 0 HD21 LEU A 48 12.862 -8.661 5.811 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.947 -7.254 5.707 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.368 -7.223 4.886 1.00 0.00 H new ATOM 726 N VAL A 49 11.900 -6.153 1.638 1.00 0.00 N ATOM 727 CA VAL A 49 10.477 -5.899 1.489 1.00 0.00 C ATOM 728 C VAL A 49 10.272 -4.663 0.612 1.00 0.00 C ATOM 729 O VAL A 49 11.105 -3.758 0.605 1.00 0.00 O ATOM 730 CB VAL A 49 9.822 -5.770 2.866 1.00 0.00 C ATOM 731 CG1 VAL A 49 9.968 -7.066 3.667 1.00 0.00 C ATOM 732 CG2 VAL A 49 10.397 -4.581 3.638 1.00 0.00 C ATOM 0 H VAL A 49 12.437 -5.369 2.010 1.00 0.00 H new ATOM 0 HA VAL A 49 9.990 -6.736 0.989 1.00 0.00 H new ATOM 0 HB VAL A 49 8.758 -5.588 2.714 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.494 -6.947 4.641 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.489 -7.883 3.128 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.025 -7.292 3.803 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.914 -4.512 4.613 1.00 0.00 H new ATOM 0 HG22 VAL A 49 11.470 -4.719 3.773 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.217 -3.663 3.079 1.00 0.00 H new ATOM 740 N LYS A 50 9.159 -4.664 -0.106 1.00 0.00 N ATOM 741 CA LYS A 50 8.834 -3.553 -0.985 1.00 0.00 C ATOM 742 C LYS A 50 7.397 -3.102 -0.721 1.00 0.00 C ATOM 743 O LYS A 50 6.597 -3.857 -0.169 1.00 0.00 O ATOM 744 CB LYS A 50 9.103 -3.929 -2.444 1.00 0.00 C ATOM 745 CG LYS A 50 9.840 -2.804 -3.173 1.00 0.00 C ATOM 746 CD LYS A 50 9.491 -2.794 -4.663 1.00 0.00 C ATOM 747 CE LYS A 50 9.633 -1.388 -5.250 1.00 0.00 C ATOM 748 NZ LYS A 50 9.905 -1.458 -6.703 1.00 0.00 N ATOM 0 H LYS A 50 8.470 -5.416 -0.097 1.00 0.00 H new ATOM 0 HA LYS A 50 9.479 -2.700 -0.775 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.696 -4.843 -2.484 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.160 -4.138 -2.949 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.577 -1.844 -2.728 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.916 -2.929 -3.049 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.145 -3.483 -5.198 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.470 -3.149 -4.803 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.720 -0.819 -5.072 1.00 0.00 H new ATOM 0 HE3 LYS A 50 10.442 -0.858 -4.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.999 -0.495 -7.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.788 -1.983 -6.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.120 -1.945 -7.180 1.00 0.00 H new ATOM 761 N TYR A 51 7.111 -1.874 -1.127 1.00 0.00 N ATOM 762 CA TYR A 51 5.784 -1.313 -0.940 1.00 0.00 C ATOM 763 C TYR A 51 5.279 -0.659 -2.228 1.00 0.00 C ATOM 764 O TYR A 51 6.060 -0.082 -2.983 1.00 0.00 O ATOM 765 CB TYR A 51 5.927 -0.240 0.140 1.00 0.00 C ATOM 766 CG TYR A 51 6.783 -0.669 1.334 1.00 0.00 C ATOM 767 CD1 TYR A 51 6.612 -1.919 1.892 1.00 0.00 C ATOM 768 CD2 TYR A 51 7.727 0.195 1.851 1.00 0.00 C ATOM 769 CE1 TYR A 51 7.418 -2.323 3.015 1.00 0.00 C ATOM 770 CE2 TYR A 51 8.533 -0.209 2.975 1.00 0.00 C ATOM 771 CZ TYR A 51 8.338 -1.448 3.501 1.00 0.00 C ATOM 772 OH TYR A 51 9.099 -1.829 4.562 1.00 0.00 O ATOM 0 H TYR A 51 7.776 -1.251 -1.585 1.00 0.00 H new ATOM 0 HA TYR A 51 5.074 -2.092 -0.663 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.365 0.653 -0.306 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.935 0.036 0.498 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.874 -2.595 1.487 1.00 0.00 H new ATOM 0 HD2 TYR A 51 7.861 1.173 1.413 1.00 0.00 H new ATOM 0 HE1 TYR A 51 7.294 -3.299 3.461 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.275 0.457 3.390 1.00 0.00 H new ATOM 0 HH TYR A 51 9.714 -1.104 4.801 1.00 0.00 H new ATOM 782 N VAL A 52 3.976 -0.771 -2.440 1.00 0.00 N ATOM 783 CA VAL A 52 3.358 -0.198 -3.623 1.00 0.00 C ATOM 784 C VAL A 52 2.213 0.725 -3.199 1.00 0.00 C ATOM 785 O VAL A 52 1.408 0.367 -2.340 1.00 0.00 O ATOM 786 CB VAL A 52 2.908 -1.312 -4.570 1.00 0.00 C ATOM 787 CG1 VAL A 52 1.965 -0.770 -5.646 1.00 0.00 C ATOM 788 CG2 VAL A 52 4.112 -2.016 -5.200 1.00 0.00 C ATOM 0 H VAL A 52 3.331 -1.250 -1.812 1.00 0.00 H new ATOM 0 HA VAL A 52 4.077 0.408 -4.174 1.00 0.00 H new ATOM 0 HB VAL A 52 2.359 -2.048 -3.983 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.660 -1.583 -6.306 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.084 -0.337 -5.173 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.478 -0.004 -6.227 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.764 -2.803 -5.869 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.701 -1.294 -5.765 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.730 -2.453 -4.415 1.00 0.00 H new ATOM 796 N CYS A 53 2.177 1.894 -3.821 1.00 0.00 N ATOM 797 CA CYS A 53 1.145 2.871 -3.519 1.00 0.00 C ATOM 798 C CYS A 53 0.375 3.170 -4.807 1.00 0.00 C ATOM 799 O CYS A 53 0.872 2.920 -5.904 1.00 0.00 O ATOM 800 CB CYS A 53 1.731 4.139 -2.896 1.00 0.00 C ATOM 801 SG CYS A 53 2.547 3.893 -1.277 1.00 0.00 S ATOM 0 H CYS A 53 2.846 2.187 -4.533 1.00 0.00 H new ATOM 0 HA CYS A 53 0.461 2.463 -2.775 1.00 0.00 H new ATOM 0 HB2 CYS A 53 2.454 4.567 -3.590 1.00 0.00 H new ATOM 0 HB3 CYS A 53 0.932 4.871 -2.777 1.00 0.00 H new ATOM 806 N CYS A 54 -0.825 3.703 -4.631 1.00 0.00 N ATOM 807 CA CYS A 54 -1.668 4.039 -5.765 1.00 0.00 C ATOM 808 C CYS A 54 -2.864 4.845 -5.253 1.00 0.00 C ATOM 809 O CYS A 54 -3.178 4.809 -4.065 1.00 0.00 O ATOM 810 CB CYS A 54 -2.108 2.791 -6.534 1.00 0.00 C ATOM 811 SG CYS A 54 -2.121 1.249 -5.549 1.00 0.00 S ATOM 0 H CYS A 54 -1.233 3.910 -3.720 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.102 4.642 -6.475 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -3.109 2.960 -6.932 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.445 2.655 -7.388 1.00 0.00 H new ATOM 816 N ASN A 55 -3.499 5.553 -6.176 1.00 0.00 N ATOM 817 CA ASN A 55 -4.653 6.366 -5.833 1.00 0.00 C ATOM 818 C ASN A 55 -5.862 5.896 -6.645 1.00 0.00 C ATOM 819 O ASN A 55 -6.401 6.649 -7.454 1.00 0.00 O ATOM 820 CB ASN A 55 -4.406 7.839 -6.162 1.00 0.00 C ATOM 821 CG ASN A 55 -4.119 8.028 -7.653 1.00 0.00 C ATOM 822 OD1 ASN A 55 -4.997 8.321 -8.448 1.00 0.00 O ATOM 823 ND2 ASN A 55 -2.845 7.844 -7.986 1.00 0.00 N ATOM 0 H ASN A 55 -3.236 5.580 -7.161 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.834 6.261 -4.763 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -5.277 8.430 -5.878 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.565 8.210 -5.576 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.552 7.947 -8.958 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.161 7.600 -7.270 1.00 0.00 H new ATOM 830 N THR A 56 -6.252 4.654 -6.400 1.00 0.00 N ATOM 831 CA THR A 56 -7.387 4.075 -7.099 1.00 0.00 C ATOM 832 C THR A 56 -8.200 3.189 -6.152 1.00 0.00 C ATOM 833 O THR A 56 -7.662 2.646 -5.189 1.00 0.00 O ATOM 834 CB THR A 56 -6.857 3.328 -8.324 1.00 0.00 C ATOM 835 OG1 THR A 56 -5.797 2.526 -7.811 1.00 0.00 O ATOM 836 CG2 THR A 56 -6.169 4.258 -9.325 1.00 0.00 C ATOM 0 H THR A 56 -5.803 4.033 -5.728 1.00 0.00 H new ATOM 0 HA THR A 56 -8.075 4.847 -7.444 1.00 0.00 H new ATOM 0 HB THR A 56 -7.680 2.810 -8.816 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.398 2.006 -8.540 1.00 0.00 H new ATOM 0 HG21 THR A 56 -5.812 3.677 -10.175 1.00 0.00 H new ATOM 0 HG22 THR A 56 -6.879 5.009 -9.671 1.00 0.00 H new ATOM 0 HG23 THR A 56 -5.325 4.752 -8.843 1.00 0.00 H new ATOM 843 N ASP A 57 -9.497 3.048 -6.433 1.00 0.00 N ATOM 844 CA ASP A 57 -10.373 2.237 -5.612 1.00 0.00 C ATOM 845 C ASP A 57 -9.957 0.775 -5.703 1.00 0.00 C ATOM 846 O ASP A 57 -9.942 0.200 -6.789 1.00 0.00 O ATOM 847 CB ASP A 57 -11.816 2.419 -6.075 1.00 0.00 C ATOM 848 CG ASP A 57 -12.549 3.416 -5.190 1.00 0.00 C ATOM 849 OD1 ASP A 57 -12.011 3.712 -4.101 1.00 0.00 O ATOM 850 OD2 ASP A 57 -13.635 3.864 -5.619 1.00 0.00 O ATOM 0 H ASP A 57 -9.957 3.491 -7.228 1.00 0.00 H new ATOM 0 HA ASP A 57 -10.297 2.552 -4.571 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.830 2.766 -7.108 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.333 1.459 -6.054 1.00 0.00 H new ATOM 856 N LYS A 58 -9.629 0.212 -4.549 1.00 0.00 N ATOM 857 CA LYS A 58 -9.212 -1.178 -4.487 1.00 0.00 C ATOM 858 C LYS A 58 -7.900 -1.347 -5.256 1.00 0.00 C ATOM 859 O LYS A 58 -7.802 -2.191 -6.146 1.00 0.00 O ATOM 860 CB LYS A 58 -10.334 -2.096 -4.977 1.00 0.00 C ATOM 861 CG LYS A 58 -11.009 -2.811 -3.804 1.00 0.00 C ATOM 862 CD LYS A 58 -12.260 -2.056 -3.349 1.00 0.00 C ATOM 863 CE LYS A 58 -13.036 -2.861 -2.304 1.00 0.00 C ATOM 864 NZ LYS A 58 -13.680 -4.037 -2.930 1.00 0.00 N ATOM 0 H LYS A 58 -9.644 0.694 -3.650 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.018 -1.472 -3.455 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -11.073 -1.512 -5.526 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.929 -2.832 -5.672 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -11.279 -3.825 -4.098 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -10.309 -2.896 -2.973 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -11.975 -1.090 -2.931 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -12.900 -1.855 -4.208 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -12.361 -3.187 -1.512 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -13.793 -2.230 -1.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -14.409 -4.415 -2.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -14.120 -3.754 -3.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -12.964 -4.770 -3.110 1.00 0.00 H new ATOM 877 N CYS A 59 -6.924 -0.532 -4.884 1.00 0.00 N ATOM 878 CA CYS A 59 -5.622 -0.580 -5.527 1.00 0.00 C ATOM 879 C CYS A 59 -4.681 -1.404 -4.646 1.00 0.00 C ATOM 880 O CYS A 59 -3.962 -2.270 -5.140 1.00 0.00 O ATOM 881 CB CYS A 59 -5.072 0.821 -5.797 1.00 0.00 C ATOM 882 SG CYS A 59 -3.880 1.431 -4.548 1.00 0.00 S ATOM 0 H CYS A 59 -7.009 0.166 -4.145 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.713 -1.056 -6.503 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.587 0.824 -6.773 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -5.907 1.519 -5.854 1.00 0.00 H new ATOM 887 N ASN A 60 -4.717 -1.104 -3.356 1.00 0.00 N ATOM 888 CA ASN A 60 -3.876 -1.805 -2.401 1.00 0.00 C ATOM 889 C ASN A 60 -4.561 -3.109 -1.987 1.00 0.00 C ATOM 890 O ASN A 60 -5.318 -3.691 -2.762 1.00 0.00 O ATOM 891 CB ASN A 60 -3.656 -0.966 -1.140 1.00 0.00 C ATOM 892 CG ASN A 60 -4.894 -0.990 -0.242 1.00 0.00 C ATOM 893 OD1 ASN A 60 -6.018 -1.134 -0.695 1.00 0.00 O ATOM 894 ND2 ASN A 60 -4.627 -0.839 1.052 1.00 0.00 N ATOM 0 H ASN A 60 -5.316 -0.385 -2.950 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.915 -1.999 -2.877 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.796 -1.348 -0.590 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.425 0.062 -1.419 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.386 -0.839 1.733 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.663 -0.723 1.364 1.00 0.00 H new