USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 469 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 37 TYR OH : rot 30:sc= -0.0067 USER MOD Set 1.2: A 39 GLN : amide:sc= -2.22! K(o=-2.2!,f=0.16) USER MOD Single : A 1 ALA N :NH3+ -158:sc= -1.66 (180deg=-2.87!) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -142:sc= 0.629 (180deg=0.0362) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -9.39! K(o=-9.4!,f=-2.3) USER MOD Single : A 29 THR OG1 : rot 48:sc= 0.42! USER MOD Single : A 30 LYS NZ :NH3+ -129:sc= -1.45! (180deg=-5.39!) USER MOD Single : A 31 ASN : amide:sc= -1.32 K(o=-1.3,f=-0.75) USER MOD Single : A 34 LYS NZ :NH3+ -143:sc= -1.9! (180deg=-4.57!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -1.1 K(o=-1.1,f=-3.5!) USER MOD Single : A 56 ASN : amide:sc= -3.4! C(o=-3.4!,f=-3.2!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HE2:sc= -1.48! C(o=-1.5!,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -8.177 8.105 6.526 1.00 0.00 N ATOM 2 CA ALA A 1 -7.004 8.969 6.841 1.00 0.00 C ATOM 3 C ALA A 1 -5.713 8.182 6.603 1.00 0.00 C ATOM 4 O ALA A 1 -4.667 8.749 6.359 1.00 0.00 O ATOM 5 CB ALA A 1 -7.073 9.406 8.305 1.00 0.00 C ATOM 0 H1 ALA A 1 -9.003 8.702 6.322 1.00 0.00 H new ATOM 0 H2 ALA A 1 -7.962 7.517 5.696 1.00 0.00 H new ATOM 0 H3 ALA A 1 -8.385 7.492 7.340 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.016 9.849 6.198 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -6.216 10.038 8.537 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -7.993 9.966 8.475 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -7.060 8.526 8.948 1.00 0.00 H new ATOM 13 N ARG A 2 -5.778 6.881 6.674 1.00 0.00 N ATOM 14 CA ARG A 2 -4.555 6.058 6.454 1.00 0.00 C ATOM 15 C ARG A 2 -4.901 4.860 5.567 1.00 0.00 C ATOM 16 O ARG A 2 -6.050 4.496 5.420 1.00 0.00 O ATOM 17 CB ARG A 2 -4.029 5.558 7.801 1.00 0.00 C ATOM 18 CG ARG A 2 -5.042 4.590 8.417 1.00 0.00 C ATOM 19 CD ARG A 2 -4.642 4.283 9.861 1.00 0.00 C ATOM 20 NE ARG A 2 -5.560 3.251 10.422 1.00 0.00 N ATOM 21 CZ ARG A 2 -6.789 3.568 10.726 1.00 0.00 C ATOM 22 NH1 ARG A 2 -7.213 4.789 10.542 1.00 0.00 N ATOM 23 NH2 ARG A 2 -7.594 2.666 11.216 1.00 0.00 N ATOM 0 H ARG A 2 -6.626 6.351 6.875 1.00 0.00 H new ATOM 0 HA ARG A 2 -3.791 6.664 5.967 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -3.069 5.059 7.666 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -3.860 6.400 8.472 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -6.041 5.026 8.390 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -5.081 3.669 7.836 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -3.612 3.927 9.897 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -4.687 5.191 10.463 1.00 0.00 H new ATOM 0 HE ARG A 2 -5.228 2.298 10.568 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -6.584 5.495 10.161 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -8.174 5.037 10.780 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -7.263 1.712 11.362 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -8.554 2.914 11.453 1.00 0.00 H new ATOM 37 N ASP A 3 -3.915 4.241 4.975 1.00 0.00 N ATOM 38 CA ASP A 3 -4.192 3.067 4.103 1.00 0.00 C ATOM 39 C ASP A 3 -4.027 1.786 4.921 1.00 0.00 C ATOM 40 O ASP A 3 -3.170 1.692 5.778 1.00 0.00 O ATOM 41 CB ASP A 3 -3.214 3.054 2.928 1.00 0.00 C ATOM 42 CG ASP A 3 -3.452 4.285 2.052 1.00 0.00 C ATOM 43 OD1 ASP A 3 -4.486 4.912 2.214 1.00 0.00 O ATOM 44 OD2 ASP A 3 -2.597 4.579 1.233 1.00 0.00 O ATOM 0 H ASP A 3 -2.932 4.498 5.058 1.00 0.00 H new ATOM 0 HA ASP A 3 -5.210 3.130 3.719 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -2.188 3.049 3.295 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -3.347 2.145 2.341 1.00 0.00 H new ATOM 49 N ALA A 4 -4.845 0.800 4.673 1.00 0.00 N ATOM 50 CA ALA A 4 -4.739 -0.464 5.450 1.00 0.00 C ATOM 51 C ALA A 4 -3.981 -1.523 4.647 1.00 0.00 C ATOM 52 O ALA A 4 -2.914 -1.959 5.032 1.00 0.00 O ATOM 53 CB ALA A 4 -6.142 -0.979 5.770 1.00 0.00 C ATOM 0 H ALA A 4 -5.581 0.816 3.967 1.00 0.00 H new ATOM 0 HA ALA A 4 -4.195 -0.266 6.373 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -6.068 -1.905 6.339 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -6.678 -0.234 6.357 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -6.682 -1.166 4.842 1.00 0.00 H new ATOM 59 N TYR A 5 -4.533 -1.954 3.547 1.00 0.00 N ATOM 60 CA TYR A 5 -3.856 -3.004 2.730 1.00 0.00 C ATOM 61 C TYR A 5 -3.325 -2.398 1.430 1.00 0.00 C ATOM 62 O TYR A 5 -2.765 -3.088 0.601 1.00 0.00 O ATOM 63 CB TYR A 5 -4.873 -4.090 2.385 1.00 0.00 C ATOM 64 CG TYR A 5 -5.772 -4.327 3.572 1.00 0.00 C ATOM 65 CD1 TYR A 5 -6.887 -3.504 3.778 1.00 0.00 C ATOM 66 CD2 TYR A 5 -5.496 -5.368 4.465 1.00 0.00 C ATOM 67 CE1 TYR A 5 -7.724 -3.722 4.877 1.00 0.00 C ATOM 68 CE2 TYR A 5 -6.334 -5.587 5.566 1.00 0.00 C ATOM 69 CZ TYR A 5 -7.449 -4.764 5.771 1.00 0.00 C ATOM 70 OH TYR A 5 -8.275 -4.980 6.856 1.00 0.00 O ATOM 0 H TYR A 5 -5.425 -1.625 3.177 1.00 0.00 H new ATOM 0 HA TYR A 5 -3.025 -3.422 3.299 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -5.465 -3.789 1.521 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -4.359 -5.012 2.114 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -7.100 -2.701 3.088 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -4.637 -6.003 4.306 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -8.583 -3.087 5.036 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -6.121 -6.390 6.256 1.00 0.00 H new ATOM 0 HH TYR A 5 -7.942 -5.742 7.374 1.00 0.00 H new ATOM 80 N ILE A 6 -3.510 -1.121 1.237 1.00 0.00 N ATOM 81 CA ILE A 6 -3.037 -0.480 -0.021 1.00 0.00 C ATOM 82 C ILE A 6 -1.800 0.377 0.249 1.00 0.00 C ATOM 83 O ILE A 6 -1.693 1.035 1.265 1.00 0.00 O ATOM 84 CB ILE A 6 -4.150 0.405 -0.581 1.00 0.00 C ATOM 85 CG1 ILE A 6 -5.401 -0.442 -0.822 1.00 0.00 C ATOM 86 CG2 ILE A 6 -3.698 1.028 -1.902 1.00 0.00 C ATOM 87 CD1 ILE A 6 -6.543 0.460 -1.290 1.00 0.00 C ATOM 0 H ILE A 6 -3.969 -0.494 1.897 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.777 -1.258 -0.739 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.375 1.196 0.134 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.197 -1.207 -1.571 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -5.684 -0.960 0.094 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -4.494 1.658 -2.298 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.807 1.632 -1.733 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.470 0.238 -2.618 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -7.435 -0.142 -1.462 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.752 1.208 -0.526 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -6.257 0.958 -2.216 1.00 0.00 H new ATOM 99 N ALA A 7 -0.868 0.373 -0.664 1.00 0.00 N ATOM 100 CA ALA A 7 0.367 1.185 -0.488 1.00 0.00 C ATOM 101 C ALA A 7 0.592 2.026 -1.744 1.00 0.00 C ATOM 102 O ALA A 7 1.259 3.041 -1.715 1.00 0.00 O ATOM 103 CB ALA A 7 1.561 0.255 -0.276 1.00 0.00 C ATOM 0 H ALA A 7 -0.911 -0.163 -1.531 1.00 0.00 H new ATOM 0 HA ALA A 7 0.260 1.838 0.378 1.00 0.00 H new ATOM 0 HB1 ALA A 7 2.466 0.849 -0.147 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.396 -0.352 0.614 1.00 0.00 H new ATOM 0 HB3 ALA A 7 1.674 -0.395 -1.143 1.00 0.00 H new ATOM 109 N LYS A 8 0.037 1.606 -2.847 1.00 0.00 N ATOM 110 CA LYS A 8 0.210 2.369 -4.112 1.00 0.00 C ATOM 111 C LYS A 8 -1.081 3.139 -4.411 1.00 0.00 C ATOM 112 O LYS A 8 -2.141 2.782 -3.939 1.00 0.00 O ATOM 113 CB LYS A 8 0.511 1.387 -5.249 1.00 0.00 C ATOM 114 CG LYS A 8 0.971 0.050 -4.660 1.00 0.00 C ATOM 115 CD LYS A 8 1.689 -0.768 -5.738 1.00 0.00 C ATOM 116 CE LYS A 8 0.697 -1.165 -6.834 1.00 0.00 C ATOM 117 NZ LYS A 8 0.974 -2.564 -7.270 1.00 0.00 N ATOM 0 H LYS A 8 -0.531 0.763 -2.926 1.00 0.00 H new ATOM 0 HA LYS A 8 1.035 3.075 -4.018 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.378 1.240 -5.862 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.284 1.795 -5.901 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.639 0.224 -3.816 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.114 -0.505 -4.279 1.00 0.00 H new ATOM 0 HD2 LYS A 8 2.505 -0.186 -6.167 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.132 -1.660 -5.296 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.324 -1.084 -6.462 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.783 -0.485 -7.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.839 -2.640 -8.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 1.955 -2.815 -7.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.322 -3.214 -6.786 1.00 0.00 H new ATOM 131 N PRO A 9 -0.987 4.192 -5.184 1.00 0.00 N ATOM 132 CA PRO A 9 -2.152 5.044 -5.557 1.00 0.00 C ATOM 133 C PRO A 9 -3.463 4.253 -5.709 1.00 0.00 C ATOM 134 O PRO A 9 -4.022 3.774 -4.742 1.00 0.00 O ATOM 135 CB PRO A 9 -1.702 5.645 -6.886 1.00 0.00 C ATOM 136 CG PRO A 9 -0.225 5.813 -6.738 1.00 0.00 C ATOM 137 CD PRO A 9 0.254 4.698 -5.799 1.00 0.00 C ATOM 0 HA PRO A 9 -2.391 5.781 -4.791 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.945 4.988 -7.721 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -2.193 6.599 -7.077 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.271 5.743 -7.706 1.00 0.00 H new ATOM 0 HG3 PRO A 9 0.014 6.794 -6.327 1.00 0.00 H new ATOM 0 HD2 PRO A 9 0.777 3.913 -6.345 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.946 5.079 -5.047 1.00 0.00 H new ATOM 145 N HIS A 10 -3.969 4.123 -6.905 1.00 0.00 N ATOM 146 CA HIS A 10 -5.243 3.374 -7.095 1.00 0.00 C ATOM 147 C HIS A 10 -4.937 1.882 -7.230 1.00 0.00 C ATOM 148 O HIS A 10 -5.827 1.063 -7.346 1.00 0.00 O ATOM 149 CB HIS A 10 -5.942 3.869 -8.362 1.00 0.00 C ATOM 150 CG HIS A 10 -6.307 5.319 -8.199 1.00 0.00 C ATOM 151 ND1 HIS A 10 -5.468 6.344 -8.614 1.00 0.00 N ATOM 152 CD2 HIS A 10 -7.416 5.933 -7.669 1.00 0.00 C ATOM 153 CE1 HIS A 10 -6.079 7.509 -8.328 1.00 0.00 C ATOM 154 NE2 HIS A 10 -7.267 7.312 -7.753 1.00 0.00 N ATOM 0 H HIS A 10 -3.556 4.502 -7.757 1.00 0.00 H new ATOM 0 HA HIS A 10 -5.894 3.537 -6.236 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -5.288 3.742 -9.224 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -6.837 3.277 -8.551 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -8.271 5.423 -7.252 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -5.660 8.482 -8.538 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -7.927 8.024 -7.441 1.00 0.00 H new ATOM 163 N ASN A 11 -3.684 1.524 -7.218 1.00 0.00 N ATOM 164 CA ASN A 11 -3.314 0.089 -7.348 1.00 0.00 C ATOM 165 C ASN A 11 -2.992 -0.482 -5.965 1.00 0.00 C ATOM 166 O ASN A 11 -2.561 0.226 -5.077 1.00 0.00 O ATOM 167 CB ASN A 11 -2.089 -0.033 -8.254 1.00 0.00 C ATOM 168 CG ASN A 11 -2.397 0.596 -9.613 1.00 0.00 C ATOM 169 OD1 ASN A 11 -3.396 0.283 -10.229 1.00 0.00 O ATOM 170 ND2 ASN A 11 -1.581 1.488 -10.104 1.00 0.00 N ATOM 0 H ASN A 11 -2.898 2.167 -7.123 1.00 0.00 H new ATOM 0 HA ASN A 11 -4.145 -0.468 -7.782 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.234 0.464 -7.796 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -1.819 -1.082 -8.379 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -1.782 1.922 -11.005 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -0.742 1.751 -9.587 1.00 0.00 H new ATOM 177 N CYS A 12 -3.203 -1.756 -5.776 1.00 0.00 N ATOM 178 CA CYS A 12 -2.918 -2.378 -4.452 1.00 0.00 C ATOM 179 C CYS A 12 -1.677 -3.263 -4.560 1.00 0.00 C ATOM 180 O CYS A 12 -1.224 -3.583 -5.641 1.00 0.00 O ATOM 181 CB CYS A 12 -4.109 -3.239 -4.019 1.00 0.00 C ATOM 182 SG CYS A 12 -5.630 -2.254 -4.048 1.00 0.00 S ATOM 0 H CYS A 12 -3.562 -2.395 -6.485 1.00 0.00 H new ATOM 0 HA CYS A 12 -2.748 -1.591 -3.717 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -4.209 -4.097 -4.684 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.939 -3.631 -3.016 1.00 0.00 H new ATOM 187 N VAL A 13 -1.124 -3.663 -3.449 1.00 0.00 N ATOM 188 CA VAL A 13 0.087 -4.530 -3.493 1.00 0.00 C ATOM 189 C VAL A 13 -0.341 -5.979 -3.739 1.00 0.00 C ATOM 190 O VAL A 13 -1.250 -6.483 -3.111 1.00 0.00 O ATOM 191 CB VAL A 13 0.831 -4.437 -2.159 1.00 0.00 C ATOM 192 CG1 VAL A 13 2.141 -5.221 -2.247 1.00 0.00 C ATOM 193 CG2 VAL A 13 1.136 -2.971 -1.848 1.00 0.00 C ATOM 0 H VAL A 13 -1.457 -3.428 -2.514 1.00 0.00 H new ATOM 0 HA VAL A 13 0.745 -4.200 -4.297 1.00 0.00 H new ATOM 0 HB VAL A 13 0.210 -4.857 -1.368 1.00 0.00 H new ATOM 0 HG11 VAL A 13 2.670 -5.154 -1.296 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.925 -6.266 -2.469 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.763 -4.803 -3.038 1.00 0.00 H new ATOM 0 HG21 VAL A 13 1.666 -2.903 -0.898 1.00 0.00 H new ATOM 0 HG22 VAL A 13 1.757 -2.552 -2.640 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.203 -2.411 -1.784 1.00 0.00 H new ATOM 203 N TYR A 14 0.306 -6.653 -4.652 1.00 0.00 N ATOM 204 CA TYR A 14 -0.069 -8.066 -4.939 1.00 0.00 C ATOM 205 C TYR A 14 0.114 -8.911 -3.678 1.00 0.00 C ATOM 206 O TYR A 14 -0.704 -9.750 -3.359 1.00 0.00 O ATOM 207 CB TYR A 14 0.820 -8.610 -6.059 1.00 0.00 C ATOM 208 CG TYR A 14 2.215 -8.845 -5.531 1.00 0.00 C ATOM 209 CD1 TYR A 14 3.124 -7.782 -5.463 1.00 0.00 C ATOM 210 CD2 TYR A 14 2.599 -10.123 -5.109 1.00 0.00 C ATOM 211 CE1 TYR A 14 4.418 -7.998 -4.974 1.00 0.00 C ATOM 212 CE2 TYR A 14 3.893 -10.339 -4.619 1.00 0.00 C ATOM 213 CZ TYR A 14 4.802 -9.276 -4.552 1.00 0.00 C ATOM 214 OH TYR A 14 6.077 -9.489 -4.069 1.00 0.00 O ATOM 0 H TYR A 14 1.077 -6.286 -5.210 1.00 0.00 H new ATOM 0 HA TYR A 14 -1.112 -8.110 -5.252 1.00 0.00 H new ATOM 0 HB2 TYR A 14 0.405 -9.541 -6.446 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.849 -7.904 -6.889 1.00 0.00 H new ATOM 0 HD1 TYR A 14 2.827 -6.796 -5.788 1.00 0.00 H new ATOM 0 HD2 TYR A 14 1.897 -10.942 -5.161 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.120 -7.179 -4.922 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.190 -11.325 -4.293 1.00 0.00 H new ATOM 0 HH TYR A 14 6.179 -10.431 -3.818 1.00 0.00 H new ATOM 224 N GLU A 15 1.178 -8.691 -2.954 1.00 0.00 N ATOM 225 CA GLU A 15 1.410 -9.476 -1.708 1.00 0.00 C ATOM 226 C GLU A 15 2.652 -8.941 -0.999 1.00 0.00 C ATOM 227 O GLU A 15 3.760 -9.359 -1.276 1.00 0.00 O ATOM 228 CB GLU A 15 1.634 -10.951 -2.056 1.00 0.00 C ATOM 229 CG GLU A 15 1.656 -11.780 -0.771 1.00 0.00 C ATOM 230 CD GLU A 15 1.981 -13.237 -1.108 1.00 0.00 C ATOM 231 OE1 GLU A 15 2.192 -13.521 -2.275 1.00 0.00 O ATOM 232 OE2 GLU A 15 2.014 -14.043 -0.193 1.00 0.00 O ATOM 0 H GLU A 15 1.897 -8.001 -3.172 1.00 0.00 H new ATOM 0 HA GLU A 15 0.539 -9.383 -1.059 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.842 -11.304 -2.716 1.00 0.00 H new ATOM 0 HB3 GLU A 15 2.574 -11.070 -2.594 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.399 -11.381 -0.081 1.00 0.00 H new ATOM 0 HG3 GLU A 15 0.690 -11.718 -0.270 1.00 0.00 H new ATOM 239 N CYS A 16 2.487 -8.030 -0.082 1.00 0.00 N ATOM 240 CA CYS A 16 3.674 -7.495 0.636 1.00 0.00 C ATOM 241 C CYS A 16 4.246 -8.600 1.521 1.00 0.00 C ATOM 242 O CYS A 16 3.522 -9.298 2.202 1.00 0.00 O ATOM 243 CB CYS A 16 3.267 -6.292 1.490 1.00 0.00 C ATOM 244 SG CYS A 16 2.260 -6.846 2.889 1.00 0.00 S ATOM 0 H CYS A 16 1.589 -7.636 0.199 1.00 0.00 H new ATOM 0 HA CYS A 16 4.428 -7.170 -0.080 1.00 0.00 H new ATOM 0 HB2 CYS A 16 4.155 -5.774 1.852 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.706 -5.579 0.886 1.00 0.00 H new ATOM 249 N PHE A 17 5.539 -8.774 1.504 1.00 0.00 N ATOM 250 CA PHE A 17 6.159 -9.848 2.329 1.00 0.00 C ATOM 251 C PHE A 17 6.940 -9.213 3.482 1.00 0.00 C ATOM 252 O PHE A 17 6.620 -8.131 3.933 1.00 0.00 O ATOM 253 CB PHE A 17 7.094 -10.677 1.441 1.00 0.00 C ATOM 254 CG PHE A 17 8.474 -10.065 1.432 1.00 0.00 C ATOM 255 CD1 PHE A 17 8.697 -8.846 0.782 1.00 0.00 C ATOM 256 CD2 PHE A 17 9.532 -10.718 2.076 1.00 0.00 C ATOM 257 CE1 PHE A 17 9.978 -8.280 0.777 1.00 0.00 C ATOM 258 CE2 PHE A 17 10.811 -10.153 2.070 1.00 0.00 C ATOM 259 CZ PHE A 17 11.035 -8.934 1.422 1.00 0.00 C ATOM 0 H PHE A 17 6.193 -8.218 0.954 1.00 0.00 H new ATOM 0 HA PHE A 17 5.389 -10.499 2.744 1.00 0.00 H new ATOM 0 HB2 PHE A 17 7.144 -11.702 1.809 1.00 0.00 H new ATOM 0 HB3 PHE A 17 6.700 -10.721 0.426 1.00 0.00 H new ATOM 0 HD1 PHE A 17 7.882 -8.342 0.284 1.00 0.00 H new ATOM 0 HD2 PHE A 17 9.360 -11.659 2.578 1.00 0.00 H new ATOM 0 HE1 PHE A 17 10.151 -7.339 0.276 1.00 0.00 H new ATOM 0 HE2 PHE A 17 11.626 -10.658 2.566 1.00 0.00 H new ATOM 0 HZ PHE A 17 12.023 -8.497 1.419 1.00 0.00 H new ATOM 269 N ASP A 18 7.955 -9.871 3.969 1.00 0.00 N ATOM 270 CA ASP A 18 8.736 -9.289 5.096 1.00 0.00 C ATOM 271 C ASP A 18 9.277 -7.921 4.679 1.00 0.00 C ATOM 272 O ASP A 18 9.717 -7.727 3.564 1.00 0.00 O ATOM 273 CB ASP A 18 9.899 -10.218 5.453 1.00 0.00 C ATOM 274 CG ASP A 18 9.350 -11.533 6.010 1.00 0.00 C ATOM 275 OD1 ASP A 18 8.171 -11.574 6.322 1.00 0.00 O ATOM 276 OD2 ASP A 18 10.116 -12.476 6.113 1.00 0.00 O ATOM 0 H ASP A 18 8.276 -10.781 3.638 1.00 0.00 H new ATOM 0 HA ASP A 18 8.091 -9.176 5.967 1.00 0.00 H new ATOM 0 HB2 ASP A 18 10.508 -10.411 4.570 1.00 0.00 H new ATOM 0 HB3 ASP A 18 10.546 -9.741 6.189 1.00 0.00 H new ATOM 281 N ALA A 19 9.239 -6.969 5.569 1.00 0.00 N ATOM 282 CA ALA A 19 9.740 -5.609 5.232 1.00 0.00 C ATOM 283 C ALA A 19 11.269 -5.596 5.267 1.00 0.00 C ATOM 284 O ALA A 19 11.890 -4.554 5.184 1.00 0.00 O ATOM 285 CB ALA A 19 9.193 -4.600 6.242 1.00 0.00 C ATOM 0 H ALA A 19 8.881 -7.075 6.518 1.00 0.00 H new ATOM 0 HA ALA A 19 9.404 -5.339 4.231 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.560 -3.603 5.996 1.00 0.00 H new ATOM 0 HB2 ALA A 19 8.104 -4.605 6.207 1.00 0.00 H new ATOM 0 HB3 ALA A 19 9.525 -4.872 7.244 1.00 0.00 H new ATOM 291 N PHE A 20 11.885 -6.740 5.389 1.00 0.00 N ATOM 292 CA PHE A 20 13.373 -6.776 5.426 1.00 0.00 C ATOM 293 C PHE A 20 13.917 -6.008 4.221 1.00 0.00 C ATOM 294 O PHE A 20 14.850 -5.237 4.333 1.00 0.00 O ATOM 295 CB PHE A 20 13.851 -8.228 5.366 1.00 0.00 C ATOM 296 CG PHE A 20 15.352 -8.272 5.533 1.00 0.00 C ATOM 297 CD1 PHE A 20 15.913 -8.288 6.816 1.00 0.00 C ATOM 298 CD2 PHE A 20 16.181 -8.295 4.406 1.00 0.00 C ATOM 299 CE1 PHE A 20 17.304 -8.328 6.971 1.00 0.00 C ATOM 300 CE2 PHE A 20 17.573 -8.335 4.562 1.00 0.00 C ATOM 301 CZ PHE A 20 18.134 -8.352 5.844 1.00 0.00 C ATOM 0 H PHE A 20 11.424 -7.647 5.464 1.00 0.00 H new ATOM 0 HA PHE A 20 13.731 -6.319 6.348 1.00 0.00 H new ATOM 0 HB2 PHE A 20 13.370 -8.813 6.150 1.00 0.00 H new ATOM 0 HB3 PHE A 20 13.567 -8.676 4.414 1.00 0.00 H new ATOM 0 HD1 PHE A 20 15.273 -8.269 7.686 1.00 0.00 H new ATOM 0 HD2 PHE A 20 15.748 -8.282 3.417 1.00 0.00 H new ATOM 0 HE1 PHE A 20 17.737 -8.340 7.960 1.00 0.00 H new ATOM 0 HE2 PHE A 20 18.213 -8.353 3.692 1.00 0.00 H new ATOM 0 HZ PHE A 20 19.207 -8.384 5.964 1.00 0.00 H new ATOM 311 N SER A 21 13.332 -6.203 3.071 1.00 0.00 N ATOM 312 CA SER A 21 13.804 -5.475 1.862 1.00 0.00 C ATOM 313 C SER A 21 13.136 -4.101 1.819 1.00 0.00 C ATOM 314 O SER A 21 13.256 -3.369 0.857 1.00 0.00 O ATOM 315 CB SER A 21 13.429 -6.262 0.606 1.00 0.00 C ATOM 316 OG SER A 21 14.075 -7.528 0.635 1.00 0.00 O ATOM 0 H SER A 21 12.547 -6.836 2.918 1.00 0.00 H new ATOM 0 HA SER A 21 14.887 -5.361 1.902 1.00 0.00 H new ATOM 0 HB2 SER A 21 12.348 -6.393 0.554 1.00 0.00 H new ATOM 0 HB3 SER A 21 13.726 -5.710 -0.286 1.00 0.00 H new ATOM 0 HG SER A 21 13.835 -8.036 -0.168 1.00 0.00 H new ATOM 322 N SER A 22 12.425 -3.749 2.856 1.00 0.00 N ATOM 323 CA SER A 22 11.741 -2.426 2.881 1.00 0.00 C ATOM 324 C SER A 22 10.862 -2.285 1.638 1.00 0.00 C ATOM 325 O SER A 22 10.604 -1.193 1.172 1.00 0.00 O ATOM 326 CB SER A 22 12.786 -1.311 2.897 1.00 0.00 C ATOM 327 OG SER A 22 13.565 -1.415 4.082 1.00 0.00 O ATOM 0 H SER A 22 12.289 -4.323 3.688 1.00 0.00 H new ATOM 0 HA SER A 22 11.121 -2.354 3.775 1.00 0.00 H new ATOM 0 HB2 SER A 22 13.427 -1.385 2.019 1.00 0.00 H new ATOM 0 HB3 SER A 22 12.297 -0.338 2.854 1.00 0.00 H new ATOM 0 HG SER A 22 14.238 -0.702 4.095 1.00 0.00 H new ATOM 333 N TYR A 23 10.402 -3.378 1.094 1.00 0.00 N ATOM 334 CA TYR A 23 9.541 -3.299 -0.121 1.00 0.00 C ATOM 335 C TYR A 23 8.281 -2.490 0.194 1.00 0.00 C ATOM 336 O TYR A 23 7.951 -1.539 -0.489 1.00 0.00 O ATOM 337 CB TYR A 23 9.140 -4.711 -0.549 1.00 0.00 C ATOM 338 CG TYR A 23 8.296 -4.636 -1.797 1.00 0.00 C ATOM 339 CD1 TYR A 23 8.905 -4.666 -3.057 1.00 0.00 C ATOM 340 CD2 TYR A 23 6.905 -4.535 -1.693 1.00 0.00 C ATOM 341 CE1 TYR A 23 8.120 -4.595 -4.215 1.00 0.00 C ATOM 342 CE2 TYR A 23 6.120 -4.464 -2.851 1.00 0.00 C ATOM 343 CZ TYR A 23 6.728 -4.494 -4.112 1.00 0.00 C ATOM 344 OH TYR A 23 5.955 -4.424 -5.253 1.00 0.00 O ATOM 0 H TYR A 23 10.584 -4.321 1.437 1.00 0.00 H new ATOM 0 HA TYR A 23 10.093 -2.813 -0.925 1.00 0.00 H new ATOM 0 HB2 TYR A 23 10.030 -5.313 -0.734 1.00 0.00 H new ATOM 0 HB3 TYR A 23 8.584 -5.201 0.250 1.00 0.00 H new ATOM 0 HD1 TYR A 23 9.979 -4.744 -3.136 1.00 0.00 H new ATOM 0 HD2 TYR A 23 6.436 -4.512 -0.720 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.589 -4.618 -5.188 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.046 -4.386 -2.771 1.00 0.00 H new ATOM 0 HH TYR A 23 5.009 -4.359 -5.004 1.00 0.00 H new ATOM 354 N CYS A 24 7.580 -2.855 1.230 1.00 0.00 N ATOM 355 CA CYS A 24 6.347 -2.104 1.593 1.00 0.00 C ATOM 356 C CYS A 24 6.739 -0.696 2.032 1.00 0.00 C ATOM 357 O CYS A 24 6.223 0.290 1.540 1.00 0.00 O ATOM 358 CB CYS A 24 5.633 -2.821 2.741 1.00 0.00 C ATOM 359 SG CYS A 24 3.957 -2.157 2.919 1.00 0.00 S ATOM 0 H CYS A 24 7.807 -3.640 1.841 1.00 0.00 H new ATOM 0 HA CYS A 24 5.678 -2.050 0.734 1.00 0.00 H new ATOM 0 HB2 CYS A 24 5.592 -3.892 2.545 1.00 0.00 H new ATOM 0 HB3 CYS A 24 6.189 -2.687 3.669 1.00 0.00 H new ATOM 364 N ASN A 25 7.658 -0.597 2.949 1.00 0.00 N ATOM 365 CA ASN A 25 8.098 0.742 3.418 1.00 0.00 C ATOM 366 C ASN A 25 8.629 1.528 2.223 1.00 0.00 C ATOM 367 O ASN A 25 8.447 2.724 2.121 1.00 0.00 O ATOM 368 CB ASN A 25 9.213 0.581 4.454 1.00 0.00 C ATOM 369 CG ASN A 25 8.706 -0.272 5.619 1.00 0.00 C ATOM 370 OD1 ASN A 25 9.350 -0.363 6.645 1.00 0.00 O ATOM 371 ND2 ASN A 25 7.578 -0.916 5.496 1.00 0.00 N ATOM 0 H ASN A 25 8.124 -1.388 3.394 1.00 0.00 H new ATOM 0 HA ASN A 25 7.259 1.270 3.872 1.00 0.00 H new ATOM 0 HB2 ASN A 25 10.084 0.111 3.997 1.00 0.00 H new ATOM 0 HB3 ASN A 25 9.532 1.558 4.816 1.00 0.00 H new ATOM 0 HD21 ASN A 25 7.236 -1.497 6.262 1.00 0.00 H new ATOM 0 HD22 ASN A 25 7.038 -0.839 4.634 1.00 0.00 H new ATOM 378 N GLY A 26 9.283 0.858 1.314 1.00 0.00 N ATOM 379 CA GLY A 26 9.828 1.557 0.120 1.00 0.00 C ATOM 380 C GLY A 26 8.692 2.267 -0.612 1.00 0.00 C ATOM 381 O GLY A 26 8.825 3.399 -1.029 1.00 0.00 O ATOM 0 H GLY A 26 9.463 -0.145 1.348 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.588 2.278 0.422 1.00 0.00 H new ATOM 0 HA3 GLY A 26 10.313 0.842 -0.544 1.00 0.00 H new ATOM 385 N VAL A 27 7.570 1.617 -0.768 1.00 0.00 N ATOM 386 CA VAL A 27 6.434 2.276 -1.471 1.00 0.00 C ATOM 387 C VAL A 27 5.990 3.499 -0.667 1.00 0.00 C ATOM 388 O VAL A 27 5.809 4.575 -1.201 1.00 0.00 O ATOM 389 CB VAL A 27 5.267 1.295 -1.596 1.00 0.00 C ATOM 390 CG1 VAL A 27 4.055 2.020 -2.182 1.00 0.00 C ATOM 391 CG2 VAL A 27 5.668 0.144 -2.522 1.00 0.00 C ATOM 0 H VAL A 27 7.392 0.667 -0.442 1.00 0.00 H new ATOM 0 HA VAL A 27 6.750 2.585 -2.467 1.00 0.00 H new ATOM 0 HB VAL A 27 5.015 0.900 -0.612 1.00 0.00 H new ATOM 0 HG11 VAL A 27 3.222 1.323 -2.272 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.770 2.842 -1.525 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.307 2.413 -3.167 1.00 0.00 H new ATOM 0 HG21 VAL A 27 4.838 -0.556 -2.612 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.918 0.539 -3.506 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.534 -0.372 -2.107 1.00 0.00 H new ATOM 401 N CYS A 28 5.826 3.342 0.616 1.00 0.00 N ATOM 402 CA CYS A 28 5.408 4.495 1.465 1.00 0.00 C ATOM 403 C CYS A 28 6.563 5.500 1.575 1.00 0.00 C ATOM 404 O CYS A 28 6.360 6.671 1.824 1.00 0.00 O ATOM 405 CB CYS A 28 5.031 3.989 2.864 1.00 0.00 C ATOM 406 SG CYS A 28 3.446 3.105 2.797 1.00 0.00 S ATOM 0 H CYS A 28 5.963 2.464 1.116 1.00 0.00 H new ATOM 0 HA CYS A 28 4.546 4.985 1.012 1.00 0.00 H new ATOM 0 HB2 CYS A 28 5.810 3.328 3.243 1.00 0.00 H new ATOM 0 HB3 CYS A 28 4.960 4.828 3.557 1.00 0.00 H new ATOM 411 N THR A 29 7.776 5.044 1.403 1.00 0.00 N ATOM 412 CA THR A 29 8.957 5.956 1.511 1.00 0.00 C ATOM 413 C THR A 29 8.917 7.042 0.429 1.00 0.00 C ATOM 414 O THR A 29 9.416 8.133 0.621 1.00 0.00 O ATOM 415 CB THR A 29 10.244 5.142 1.359 1.00 0.00 C ATOM 416 OG1 THR A 29 10.270 4.111 2.336 1.00 0.00 O ATOM 417 CG2 THR A 29 11.455 6.056 1.548 1.00 0.00 C ATOM 0 H THR A 29 8.002 4.072 1.191 1.00 0.00 H new ATOM 0 HA THR A 29 8.929 6.439 2.488 1.00 0.00 H new ATOM 0 HB THR A 29 10.277 4.700 0.363 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.408 3.645 2.342 1.00 0.00 H new ATOM 0 HG21 THR A 29 12.370 5.474 1.439 1.00 0.00 H new ATOM 0 HG22 THR A 29 11.436 6.846 0.797 1.00 0.00 H new ATOM 0 HG23 THR A 29 11.424 6.501 2.543 1.00 0.00 H new ATOM 425 N LYS A 30 8.352 6.755 -0.710 1.00 0.00 N ATOM 426 CA LYS A 30 8.314 7.776 -1.800 1.00 0.00 C ATOM 427 C LYS A 30 7.742 9.091 -1.269 1.00 0.00 C ATOM 428 O LYS A 30 8.133 10.162 -1.691 1.00 0.00 O ATOM 429 CB LYS A 30 7.441 7.267 -2.949 1.00 0.00 C ATOM 430 CG LYS A 30 8.249 6.304 -3.819 1.00 0.00 C ATOM 431 CD LYS A 30 8.565 5.039 -3.020 1.00 0.00 C ATOM 432 CE LYS A 30 9.115 3.968 -3.962 1.00 0.00 C ATOM 433 NZ LYS A 30 9.803 2.912 -3.166 1.00 0.00 N ATOM 0 H LYS A 30 7.915 5.861 -0.935 1.00 0.00 H new ATOM 0 HA LYS A 30 9.328 7.948 -2.160 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.559 6.763 -2.553 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.087 8.105 -3.549 1.00 0.00 H new ATOM 0 HG2 LYS A 30 7.686 6.049 -4.717 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.173 6.781 -4.146 1.00 0.00 H new ATOM 0 HD2 LYS A 30 9.293 5.261 -2.239 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.666 4.675 -2.523 1.00 0.00 H new ATOM 0 HE2 LYS A 30 8.304 3.530 -4.544 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.811 4.415 -4.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.753 2.747 -3.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.883 3.221 -2.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.253 2.030 -3.210 1.00 0.00 H new ATOM 447 N ASN A 31 6.825 9.027 -0.346 1.00 0.00 N ATOM 448 CA ASN A 31 6.241 10.282 0.206 1.00 0.00 C ATOM 449 C ASN A 31 7.363 11.162 0.761 1.00 0.00 C ATOM 450 O ASN A 31 7.296 12.374 0.719 1.00 0.00 O ATOM 451 CB ASN A 31 5.275 9.941 1.336 1.00 0.00 C ATOM 452 CG ASN A 31 4.393 11.154 1.639 1.00 0.00 C ATOM 453 OD1 ASN A 31 3.630 11.590 0.800 1.00 0.00 O ATOM 454 ND2 ASN A 31 4.466 11.721 2.812 1.00 0.00 N ATOM 0 H ASN A 31 6.455 8.163 0.050 1.00 0.00 H new ATOM 0 HA ASN A 31 5.710 10.811 -0.585 1.00 0.00 H new ATOM 0 HB2 ASN A 31 4.656 9.089 1.054 1.00 0.00 H new ATOM 0 HB3 ASN A 31 5.830 9.650 2.228 1.00 0.00 H new ATOM 0 HD21 ASN A 31 3.883 12.530 3.025 1.00 0.00 H new ATOM 0 HD22 ASN A 31 5.107 11.355 3.516 1.00 0.00 H new ATOM 461 N GLY A 32 8.389 10.556 1.297 1.00 0.00 N ATOM 462 CA GLY A 32 9.510 11.351 1.871 1.00 0.00 C ATOM 463 C GLY A 32 9.370 11.391 3.394 1.00 0.00 C ATOM 464 O GLY A 32 10.147 12.018 4.085 1.00 0.00 O ATOM 0 H GLY A 32 8.498 9.544 1.361 1.00 0.00 H new ATOM 0 HA2 GLY A 32 10.466 10.907 1.593 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.499 12.363 1.466 1.00 0.00 H new ATOM 468 N ALA A 33 8.383 10.717 3.921 1.00 0.00 N ATOM 469 CA ALA A 33 8.187 10.704 5.399 1.00 0.00 C ATOM 470 C ALA A 33 7.066 9.730 5.746 1.00 0.00 C ATOM 471 O ALA A 33 7.022 9.174 6.827 1.00 0.00 O ATOM 472 CB ALA A 33 7.804 12.100 5.883 1.00 0.00 C ATOM 0 H ALA A 33 7.703 10.174 3.390 1.00 0.00 H new ATOM 0 HA ALA A 33 9.113 10.395 5.883 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.662 12.084 6.964 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.598 12.803 5.632 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.878 12.411 5.400 1.00 0.00 H new ATOM 478 N LYS A 34 6.160 9.514 4.835 1.00 0.00 N ATOM 479 CA LYS A 34 5.043 8.572 5.106 1.00 0.00 C ATOM 480 C LYS A 34 5.631 7.245 5.575 1.00 0.00 C ATOM 481 O LYS A 34 6.621 6.783 5.045 1.00 0.00 O ATOM 482 CB LYS A 34 4.247 8.365 3.818 1.00 0.00 C ATOM 483 CG LYS A 34 3.005 7.533 4.102 1.00 0.00 C ATOM 484 CD LYS A 34 2.168 7.442 2.825 1.00 0.00 C ATOM 485 CE LYS A 34 0.740 7.009 3.168 1.00 0.00 C ATOM 486 NZ LYS A 34 -0.163 8.192 3.114 1.00 0.00 N ATOM 0 H LYS A 34 6.146 9.950 3.913 1.00 0.00 H new ATOM 0 HA LYS A 34 4.382 8.970 5.876 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.961 9.330 3.399 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.867 7.865 3.074 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.288 6.536 4.439 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.422 7.987 4.903 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.153 8.408 2.320 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.618 6.728 2.135 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.401 6.247 2.466 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.713 6.562 4.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.875 8.120 3.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.394 9.060 3.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.639 8.223 2.190 1.00 0.00 H new ATOM 500 N SER A 35 5.045 6.637 6.575 1.00 0.00 N ATOM 501 CA SER A 35 5.600 5.347 7.076 1.00 0.00 C ATOM 502 C SER A 35 4.571 4.230 6.906 1.00 0.00 C ATOM 503 O SER A 35 3.407 4.391 7.216 1.00 0.00 O ATOM 504 CB SER A 35 5.947 5.492 8.558 1.00 0.00 C ATOM 505 OG SER A 35 6.891 6.543 8.719 1.00 0.00 O ATOM 0 H SER A 35 4.214 6.975 7.061 1.00 0.00 H new ATOM 0 HA SER A 35 6.494 5.097 6.506 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.047 5.705 9.135 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.357 4.557 8.940 1.00 0.00 H new ATOM 0 HG SER A 35 7.114 6.640 9.668 1.00 0.00 H new ATOM 511 N GLY A 36 4.994 3.092 6.422 1.00 0.00 N ATOM 512 CA GLY A 36 4.042 1.962 6.243 1.00 0.00 C ATOM 513 C GLY A 36 4.738 0.631 6.535 1.00 0.00 C ATOM 514 O GLY A 36 5.949 0.535 6.531 1.00 0.00 O ATOM 0 H GLY A 36 5.956 2.898 6.144 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.188 2.088 6.909 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.654 1.962 5.224 1.00 0.00 H new ATOM 518 N TYR A 37 3.975 -0.402 6.772 1.00 0.00 N ATOM 519 CA TYR A 37 4.578 -1.737 7.044 1.00 0.00 C ATOM 520 C TYR A 37 3.738 -2.815 6.354 1.00 0.00 C ATOM 521 O TYR A 37 2.673 -2.545 5.836 1.00 0.00 O ATOM 522 CB TYR A 37 4.657 -1.982 8.552 1.00 0.00 C ATOM 523 CG TYR A 37 3.288 -2.260 9.109 1.00 0.00 C ATOM 524 CD1 TYR A 37 2.455 -1.201 9.476 1.00 0.00 C ATOM 525 CD2 TYR A 37 2.862 -3.579 9.274 1.00 0.00 C ATOM 526 CE1 TYR A 37 1.186 -1.461 10.006 1.00 0.00 C ATOM 527 CE2 TYR A 37 1.595 -3.842 9.807 1.00 0.00 C ATOM 528 CZ TYR A 37 0.756 -2.783 10.173 1.00 0.00 C ATOM 529 OH TYR A 37 -0.493 -3.041 10.699 1.00 0.00 O ATOM 0 H TYR A 37 2.955 -0.378 6.789 1.00 0.00 H new ATOM 0 HA TYR A 37 5.593 -1.773 6.647 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.318 -2.824 8.756 1.00 0.00 H new ATOM 0 HB3 TYR A 37 5.088 -1.112 9.046 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.790 -0.182 9.351 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.509 -4.396 8.991 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.539 -0.643 10.286 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.265 -4.862 9.936 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.104 -2.311 10.465 1.00 0.00 H new ATOM 539 N CYS A 38 4.219 -4.029 6.308 1.00 0.00 N ATOM 540 CA CYS A 38 3.454 -5.105 5.611 1.00 0.00 C ATOM 541 C CYS A 38 2.672 -5.955 6.611 1.00 0.00 C ATOM 542 O CYS A 38 3.224 -6.521 7.534 1.00 0.00 O ATOM 543 CB CYS A 38 4.433 -5.993 4.842 1.00 0.00 C ATOM 544 SG CYS A 38 3.593 -7.491 4.264 1.00 0.00 S ATOM 0 H CYS A 38 5.105 -4.322 6.721 1.00 0.00 H new ATOM 0 HA CYS A 38 2.744 -4.643 4.925 1.00 0.00 H new ATOM 0 HB2 CYS A 38 4.843 -5.446 3.993 1.00 0.00 H new ATOM 0 HB3 CYS A 38 5.273 -6.262 5.483 1.00 0.00 H new ATOM 549 N GLN A 39 1.384 -6.058 6.413 1.00 0.00 N ATOM 550 CA GLN A 39 0.539 -6.881 7.324 1.00 0.00 C ATOM 551 C GLN A 39 -0.131 -7.988 6.504 1.00 0.00 C ATOM 552 O GLN A 39 0.473 -8.571 5.624 1.00 0.00 O ATOM 553 CB GLN A 39 -0.535 -6.003 7.972 1.00 0.00 C ATOM 554 CG GLN A 39 -0.975 -6.629 9.300 1.00 0.00 C ATOM 555 CD GLN A 39 -2.124 -5.812 9.892 1.00 0.00 C ATOM 556 OE1 GLN A 39 -2.706 -6.195 10.887 1.00 0.00 O ATOM 557 NE2 GLN A 39 -2.477 -4.695 9.319 1.00 0.00 N ATOM 0 H GLN A 39 0.879 -5.603 5.653 1.00 0.00 H new ATOM 0 HA GLN A 39 1.158 -7.318 8.107 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -0.145 -4.999 8.142 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -1.390 -5.903 7.304 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -1.292 -7.660 9.141 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -0.137 -6.656 9.997 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -1.988 -4.374 8.483 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -3.242 -4.143 9.706 1.00 0.00 H new ATOM 566 N ILE A 40 -1.376 -8.278 6.777 1.00 0.00 N ATOM 567 CA ILE A 40 -2.078 -9.345 6.009 1.00 0.00 C ATOM 568 C ILE A 40 -3.156 -8.719 5.125 1.00 0.00 C ATOM 569 O ILE A 40 -3.813 -7.770 5.506 1.00 0.00 O ATOM 570 CB ILE A 40 -2.721 -10.332 6.989 1.00 0.00 C ATOM 571 CG1 ILE A 40 -3.805 -9.624 7.811 1.00 0.00 C ATOM 572 CG2 ILE A 40 -1.650 -10.882 7.934 1.00 0.00 C ATOM 573 CD1 ILE A 40 -4.453 -10.627 8.768 1.00 0.00 C ATOM 0 H ILE A 40 -1.935 -7.822 7.498 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.362 -9.872 5.378 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.173 -11.149 6.426 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.369 -8.798 8.373 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.558 -9.197 7.149 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.106 -11.584 8.632 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.882 -11.394 7.355 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.198 -10.060 8.490 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.224 -10.126 9.353 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.902 -11.438 8.195 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.695 -11.033 9.438 1.00 0.00 H new ATOM 585 N LEU A 41 -3.343 -9.244 3.945 1.00 0.00 N ATOM 586 CA LEU A 41 -4.378 -8.684 3.032 1.00 0.00 C ATOM 587 C LEU A 41 -5.744 -8.754 3.717 1.00 0.00 C ATOM 588 O LEU A 41 -6.568 -7.871 3.579 1.00 0.00 O ATOM 589 CB LEU A 41 -4.407 -9.505 1.740 1.00 0.00 C ATOM 590 CG LEU A 41 -5.358 -8.851 0.737 1.00 0.00 C ATOM 591 CD1 LEU A 41 -4.772 -7.520 0.255 1.00 0.00 C ATOM 592 CD2 LEU A 41 -5.551 -9.783 -0.461 1.00 0.00 C ATOM 0 H LEU A 41 -2.822 -10.038 3.574 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.143 -7.646 2.797 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.405 -9.571 1.316 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.731 -10.524 1.952 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.318 -8.667 1.220 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.454 -7.059 -0.459 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.634 -6.854 1.106 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.810 -7.699 -0.226 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.229 -9.319 -1.178 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.588 -9.966 -0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.974 -10.729 -0.122 1.00 0.00 H new ATOM 604 N GLY A 42 -5.988 -9.802 4.453 1.00 0.00 N ATOM 605 CA GLY A 42 -7.294 -9.946 5.152 1.00 0.00 C ATOM 606 C GLY A 42 -7.764 -11.392 5.012 1.00 0.00 C ATOM 607 O GLY A 42 -7.952 -12.096 5.984 1.00 0.00 O ATOM 0 H GLY A 42 -5.333 -10.570 4.601 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.191 -9.682 6.204 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.030 -9.266 4.723 1.00 0.00 H new ATOM 611 N THR A 43 -7.937 -11.843 3.802 1.00 0.00 N ATOM 612 CA THR A 43 -8.375 -13.245 3.580 1.00 0.00 C ATOM 613 C THR A 43 -7.171 -14.072 3.131 1.00 0.00 C ATOM 614 O THR A 43 -6.662 -14.901 3.860 1.00 0.00 O ATOM 615 CB THR A 43 -9.456 -13.282 2.498 1.00 0.00 C ATOM 616 OG1 THR A 43 -10.035 -11.991 2.367 1.00 0.00 O ATOM 617 CG2 THR A 43 -10.537 -14.291 2.887 1.00 0.00 C ATOM 0 H THR A 43 -7.793 -11.296 2.953 1.00 0.00 H new ATOM 0 HA THR A 43 -8.783 -13.655 4.504 1.00 0.00 H new ATOM 0 HB THR A 43 -9.011 -13.580 1.549 1.00 0.00 H new ATOM 0 HG1 THR A 43 -10.727 -12.012 1.673 1.00 0.00 H new ATOM 0 HG21 THR A 43 -11.306 -14.316 2.115 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.092 -15.281 2.988 1.00 0.00 H new ATOM 0 HG23 THR A 43 -10.985 -13.997 3.836 1.00 0.00 H new ATOM 625 N TYR A 44 -6.710 -13.841 1.933 1.00 0.00 N ATOM 626 CA TYR A 44 -5.532 -14.594 1.417 1.00 0.00 C ATOM 627 C TYR A 44 -4.492 -13.602 0.887 1.00 0.00 C ATOM 628 O TYR A 44 -4.827 -12.541 0.400 1.00 0.00 O ATOM 629 CB TYR A 44 -5.977 -15.521 0.283 1.00 0.00 C ATOM 630 CG TYR A 44 -7.028 -16.476 0.797 1.00 0.00 C ATOM 631 CD1 TYR A 44 -6.646 -17.627 1.495 1.00 0.00 C ATOM 632 CD2 TYR A 44 -8.384 -16.208 0.576 1.00 0.00 C ATOM 633 CE1 TYR A 44 -7.621 -18.512 1.973 1.00 0.00 C ATOM 634 CE2 TYR A 44 -9.358 -17.092 1.053 1.00 0.00 C ATOM 635 CZ TYR A 44 -8.977 -18.244 1.751 1.00 0.00 C ATOM 636 OH TYR A 44 -9.938 -19.116 2.222 1.00 0.00 O ATOM 0 H TYR A 44 -7.102 -13.158 1.285 1.00 0.00 H new ATOM 0 HA TYR A 44 -5.096 -15.188 2.220 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.376 -14.935 -0.545 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.123 -16.077 -0.103 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -5.600 -17.833 1.665 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.678 -15.319 0.038 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.327 -19.400 2.512 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -10.404 -16.885 0.883 1.00 0.00 H new ATOM 0 HH TYR A 44 -10.828 -18.782 1.984 1.00 0.00 H new ATOM 646 N GLY A 45 -3.236 -13.939 0.974 1.00 0.00 N ATOM 647 CA GLY A 45 -2.180 -13.014 0.469 1.00 0.00 C ATOM 648 C GLY A 45 -1.747 -12.056 1.583 1.00 0.00 C ATOM 649 O GLY A 45 -2.072 -12.244 2.739 1.00 0.00 O ATOM 0 H GLY A 45 -2.894 -14.813 1.372 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -1.322 -13.586 0.116 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -2.558 -12.448 -0.383 1.00 0.00 H new ATOM 653 N ASN A 46 -1.005 -11.036 1.240 1.00 0.00 N ATOM 654 CA ASN A 46 -0.533 -10.064 2.257 1.00 0.00 C ATOM 655 C ASN A 46 -1.038 -8.663 1.902 1.00 0.00 C ATOM 656 O ASN A 46 -1.484 -8.419 0.799 1.00 0.00 O ATOM 657 CB ASN A 46 0.993 -10.066 2.268 1.00 0.00 C ATOM 658 CG ASN A 46 1.501 -11.431 2.738 1.00 0.00 C ATOM 659 OD1 ASN A 46 2.408 -11.988 2.154 1.00 0.00 O ATOM 660 ND2 ASN A 46 0.947 -11.997 3.776 1.00 0.00 N ATOM 0 H ASN A 46 -0.705 -10.837 0.286 1.00 0.00 H new ATOM 0 HA ASN A 46 -0.913 -10.343 3.240 1.00 0.00 H new ATOM 0 HB2 ASN A 46 1.374 -9.849 1.270 1.00 0.00 H new ATOM 0 HB3 ASN A 46 1.363 -9.282 2.928 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.276 -12.908 4.097 1.00 0.00 H new ATOM 0 HD22 ASN A 46 0.185 -11.529 4.266 1.00 0.00 H new ATOM 667 N GLY A 47 -0.973 -7.739 2.827 1.00 0.00 N ATOM 668 CA GLY A 47 -1.454 -6.356 2.530 1.00 0.00 C ATOM 669 C GLY A 47 -0.444 -5.331 3.049 1.00 0.00 C ATOM 670 O GLY A 47 0.263 -5.572 4.008 1.00 0.00 O ATOM 0 H GLY A 47 -0.610 -7.881 3.770 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.592 -6.232 1.456 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.425 -6.191 2.997 1.00 0.00 H new ATOM 674 N CYS A 48 -0.374 -4.185 2.428 1.00 0.00 N ATOM 675 CA CYS A 48 0.587 -3.145 2.887 1.00 0.00 C ATOM 676 C CYS A 48 -0.142 -2.109 3.740 1.00 0.00 C ATOM 677 O CYS A 48 -1.257 -1.724 3.449 1.00 0.00 O ATOM 678 CB CYS A 48 1.215 -2.450 1.680 1.00 0.00 C ATOM 679 SG CYS A 48 2.905 -3.052 1.444 1.00 0.00 S ATOM 0 H CYS A 48 -0.942 -3.925 1.622 1.00 0.00 H new ATOM 0 HA CYS A 48 1.368 -3.622 3.479 1.00 0.00 H new ATOM 0 HB2 CYS A 48 0.621 -2.644 0.787 1.00 0.00 H new ATOM 0 HB3 CYS A 48 1.221 -1.371 1.831 1.00 0.00 H new ATOM 684 N TRP A 49 0.485 -1.657 4.790 1.00 0.00 N ATOM 685 CA TRP A 49 -0.155 -0.646 5.671 1.00 0.00 C ATOM 686 C TRP A 49 0.622 0.668 5.572 1.00 0.00 C ATOM 687 O TRP A 49 1.825 0.697 5.738 1.00 0.00 O ATOM 688 CB TRP A 49 -0.116 -1.151 7.114 1.00 0.00 C ATOM 689 CG TRP A 49 -1.249 -0.562 7.888 1.00 0.00 C ATOM 690 CD1 TRP A 49 -1.216 0.625 8.534 1.00 0.00 C ATOM 691 CD2 TRP A 49 -2.575 -1.117 8.116 1.00 0.00 C ATOM 692 NE1 TRP A 49 -2.442 0.838 9.140 1.00 0.00 N ATOM 693 CE2 TRP A 49 -3.313 -0.209 8.913 1.00 0.00 C ATOM 694 CE3 TRP A 49 -3.205 -2.308 7.712 1.00 0.00 C ATOM 695 CZ2 TRP A 49 -4.629 -0.474 9.294 1.00 0.00 C ATOM 696 CZ3 TRP A 49 -4.529 -2.578 8.095 1.00 0.00 C ATOM 697 CH2 TRP A 49 -5.239 -1.662 8.883 1.00 0.00 C ATOM 0 H TRP A 49 1.420 -1.948 5.076 1.00 0.00 H new ATOM 0 HA TRP A 49 -1.188 -0.483 5.365 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -0.180 -2.239 7.130 1.00 0.00 H new ATOM 0 HB3 TRP A 49 0.833 -0.881 7.578 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -0.371 1.297 8.571 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -2.674 1.667 9.687 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -2.667 -3.020 7.103 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -5.172 0.234 9.902 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -5.002 -3.496 7.781 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -6.258 -1.874 9.173 1.00 0.00 H new ATOM 708 N CYS A 50 -0.053 1.755 5.309 1.00 0.00 N ATOM 709 CA CYS A 50 0.649 3.068 5.206 1.00 0.00 C ATOM 710 C CYS A 50 -0.021 4.068 6.152 1.00 0.00 C ATOM 711 O CYS A 50 -1.231 4.133 6.241 1.00 0.00 O ATOM 712 CB CYS A 50 0.582 3.573 3.763 1.00 0.00 C ATOM 713 SG CYS A 50 2.095 4.492 3.377 1.00 0.00 S ATOM 0 H CYS A 50 -1.062 1.791 5.161 1.00 0.00 H new ATOM 0 HA CYS A 50 1.696 2.954 5.488 1.00 0.00 H new ATOM 0 HB2 CYS A 50 0.468 2.734 3.077 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -0.290 4.214 3.630 1.00 0.00 H new ATOM 718 N ILE A 51 0.759 4.829 6.882 1.00 0.00 N ATOM 719 CA ILE A 51 0.172 5.803 7.847 1.00 0.00 C ATOM 720 C ILE A 51 0.537 7.242 7.469 1.00 0.00 C ATOM 721 O ILE A 51 1.668 7.546 7.128 1.00 0.00 O ATOM 722 CB ILE A 51 0.699 5.495 9.248 1.00 0.00 C ATOM 723 CG1 ILE A 51 0.312 4.064 9.624 1.00 0.00 C ATOM 724 CG2 ILE A 51 0.088 6.472 10.253 1.00 0.00 C ATOM 725 CD1 ILE A 51 1.530 3.332 10.191 1.00 0.00 C ATOM 0 H ILE A 51 1.778 4.815 6.849 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.914 5.709 7.821 1.00 0.00 H new ATOM 0 HB ILE A 51 1.784 5.599 9.263 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -0.492 4.076 10.360 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.066 3.537 8.748 1.00 0.00 H new ATOM 0 HG21 ILE A 51 0.465 6.250 11.251 1.00 0.00 H new ATOM 0 HG22 ILE A 51 0.360 7.492 9.980 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.997 6.371 10.245 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.250 2.313 10.458 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.321 3.307 9.441 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.888 3.854 11.078 1.00 0.00 H new ATOM 737 N ALA A 52 -0.430 8.125 7.543 1.00 0.00 N ATOM 738 CA ALA A 52 -0.200 9.562 7.212 1.00 0.00 C ATOM 739 C ALA A 52 -1.552 10.228 6.959 1.00 0.00 C ATOM 740 O ALA A 52 -2.562 9.563 6.836 1.00 0.00 O ATOM 741 CB ALA A 52 0.656 9.683 5.953 1.00 0.00 C ATOM 0 H ALA A 52 -1.385 7.903 7.824 1.00 0.00 H new ATOM 0 HA ALA A 52 0.316 10.045 8.041 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.817 10.736 5.722 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.618 9.197 6.119 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.146 9.202 5.118 1.00 0.00 H new ATOM 747 N LEU A 53 -1.585 11.531 6.875 1.00 0.00 N ATOM 748 CA LEU A 53 -2.878 12.230 6.624 1.00 0.00 C ATOM 749 C LEU A 53 -2.717 13.208 5.459 1.00 0.00 C ATOM 750 O LEU A 53 -2.675 14.407 5.647 1.00 0.00 O ATOM 751 CB LEU A 53 -3.302 12.999 7.877 1.00 0.00 C ATOM 752 CG LEU A 53 -4.718 13.547 7.685 1.00 0.00 C ATOM 753 CD1 LEU A 53 -5.726 12.593 8.329 1.00 0.00 C ATOM 754 CD2 LEU A 53 -4.826 14.923 8.348 1.00 0.00 C ATOM 0 H LEU A 53 -0.773 12.141 6.969 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.641 11.492 6.377 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.269 12.344 8.747 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.607 13.817 8.067 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.931 13.637 6.620 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.735 12.983 8.192 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.650 11.612 7.860 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.513 12.503 9.394 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.834 15.314 8.212 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.613 14.831 9.413 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.108 15.604 7.892 1.00 0.00 H new ATOM 766 N PRO A 54 -2.643 12.695 4.262 1.00 0.00 N ATOM 767 CA PRO A 54 -2.500 13.530 3.038 1.00 0.00 C ATOM 768 C PRO A 54 -3.534 14.657 3.009 1.00 0.00 C ATOM 769 O PRO A 54 -4.270 14.855 3.957 1.00 0.00 O ATOM 770 CB PRO A 54 -2.746 12.547 1.892 1.00 0.00 C ATOM 771 CG PRO A 54 -2.411 11.201 2.443 1.00 0.00 C ATOM 772 CD PRO A 54 -2.686 11.259 3.947 1.00 0.00 C ATOM 0 HA PRO A 54 -1.527 14.017 2.981 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -3.782 12.587 1.556 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -2.122 12.785 1.030 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -3.015 10.428 1.969 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -1.367 10.953 2.250 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.656 10.826 4.192 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -1.937 10.704 4.511 1.00 0.00 H new ATOM 780 N ASP A 55 -3.605 15.397 1.939 1.00 0.00 N ATOM 781 CA ASP A 55 -4.603 16.499 1.880 1.00 0.00 C ATOM 782 C ASP A 55 -5.980 15.936 2.232 1.00 0.00 C ATOM 783 O ASP A 55 -6.758 16.563 2.924 1.00 0.00 O ATOM 784 CB ASP A 55 -4.636 17.084 0.466 1.00 0.00 C ATOM 785 CG ASP A 55 -3.321 17.813 0.184 1.00 0.00 C ATOM 786 OD1 ASP A 55 -2.566 18.016 1.121 1.00 0.00 O ATOM 787 OD2 ASP A 55 -3.090 18.154 -0.965 1.00 0.00 O ATOM 0 H ASP A 55 -3.021 15.288 1.110 1.00 0.00 H new ATOM 0 HA ASP A 55 -4.331 17.284 2.586 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -4.787 16.289 -0.264 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.475 17.773 0.366 1.00 0.00 H new ATOM 792 N ASN A 56 -6.277 14.749 1.771 1.00 0.00 N ATOM 793 CA ASN A 56 -7.596 14.118 2.077 1.00 0.00 C ATOM 794 C ASN A 56 -7.878 13.018 1.050 1.00 0.00 C ATOM 795 O ASN A 56 -7.053 12.710 0.213 1.00 0.00 O ATOM 796 CB ASN A 56 -8.712 15.165 2.011 1.00 0.00 C ATOM 797 CG ASN A 56 -9.063 15.632 3.425 1.00 0.00 C ATOM 798 OD1 ASN A 56 -9.212 16.814 3.668 1.00 0.00 O ATOM 799 ND2 ASN A 56 -9.204 14.749 4.375 1.00 0.00 N ATOM 0 H ASN A 56 -5.657 14.185 1.190 1.00 0.00 H new ATOM 0 HA ASN A 56 -7.563 13.695 3.081 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -8.393 16.014 1.406 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -9.593 14.742 1.528 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -9.439 15.050 5.321 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -9.079 13.757 4.172 1.00 0.00 H new ATOM 806 N VAL A 57 -9.040 12.428 1.103 1.00 0.00 N ATOM 807 CA VAL A 57 -9.377 11.355 0.124 1.00 0.00 C ATOM 808 C VAL A 57 -8.335 10.234 0.204 1.00 0.00 C ATOM 809 O VAL A 57 -7.562 10.033 -0.712 1.00 0.00 O ATOM 810 CB VAL A 57 -9.384 11.942 -1.287 1.00 0.00 C ATOM 811 CG1 VAL A 57 -10.037 10.950 -2.249 1.00 0.00 C ATOM 812 CG2 VAL A 57 -10.176 13.252 -1.291 1.00 0.00 C ATOM 0 H VAL A 57 -9.771 12.642 1.781 1.00 0.00 H new ATOM 0 HA VAL A 57 -10.361 10.949 0.358 1.00 0.00 H new ATOM 0 HB VAL A 57 -8.359 12.135 -1.604 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -10.042 11.369 -3.255 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -9.474 10.017 -2.247 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.062 10.756 -1.932 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.181 13.671 -2.297 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -11.201 13.059 -0.973 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -9.711 13.960 -0.605 1.00 0.00 H new ATOM 822 N PRO A 58 -8.318 9.510 1.291 1.00 0.00 N ATOM 823 CA PRO A 58 -7.358 8.388 1.496 1.00 0.00 C ATOM 824 C PRO A 58 -7.749 7.142 0.692 1.00 0.00 C ATOM 825 O PRO A 58 -7.049 6.733 -0.212 1.00 0.00 O ATOM 826 CB PRO A 58 -7.445 8.107 2.995 1.00 0.00 C ATOM 827 CG PRO A 58 -8.807 8.563 3.407 1.00 0.00 C ATOM 828 CD PRO A 58 -9.213 9.683 2.446 1.00 0.00 C ATOM 0 HA PRO A 58 -6.353 8.644 1.160 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.306 7.046 3.204 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.669 8.644 3.541 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -9.519 7.739 3.362 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -8.799 8.922 4.436 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.260 9.598 2.155 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.088 10.665 2.903 1.00 0.00 H new ATOM 836 N ILE A 59 -8.867 6.546 1.014 1.00 0.00 N ATOM 837 CA ILE A 59 -9.315 5.335 0.269 1.00 0.00 C ATOM 838 C ILE A 59 -10.643 5.639 -0.429 1.00 0.00 C ATOM 839 O ILE A 59 -11.596 6.061 0.196 1.00 0.00 O ATOM 840 CB ILE A 59 -9.510 4.172 1.245 1.00 0.00 C ATOM 841 CG1 ILE A 59 -8.197 3.892 1.982 1.00 0.00 C ATOM 842 CG2 ILE A 59 -9.936 2.923 0.472 1.00 0.00 C ATOM 843 CD1 ILE A 59 -8.443 2.868 3.091 1.00 0.00 C ATOM 0 H ILE A 59 -9.490 6.847 1.763 1.00 0.00 H new ATOM 0 HA ILE A 59 -8.562 5.063 -0.470 1.00 0.00 H new ATOM 0 HB ILE A 59 -10.282 4.434 1.968 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.449 3.516 1.284 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -7.802 4.815 2.406 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -10.075 2.095 1.167 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -10.873 3.120 -0.050 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -9.165 2.663 -0.253 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -7.509 2.668 3.616 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -9.177 3.262 3.794 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -8.819 1.943 2.655 1.00 0.00 H new ATOM 855 N ARG A 60 -10.712 5.424 -1.715 1.00 0.00 N ATOM 856 CA ARG A 60 -11.976 5.695 -2.455 1.00 0.00 C ATOM 857 C ARG A 60 -12.548 4.376 -2.972 1.00 0.00 C ATOM 858 O ARG A 60 -13.564 4.347 -3.640 1.00 0.00 O ATOM 859 CB ARG A 60 -11.691 6.623 -3.639 1.00 0.00 C ATOM 860 CG ARG A 60 -10.684 7.695 -3.219 1.00 0.00 C ATOM 861 CD ARG A 60 -9.272 7.246 -3.605 1.00 0.00 C ATOM 862 NE ARG A 60 -8.284 8.263 -3.150 1.00 0.00 N ATOM 863 CZ ARG A 60 -7.009 8.065 -3.342 1.00 0.00 C ATOM 864 NH1 ARG A 60 -6.601 6.977 -3.935 1.00 0.00 N ATOM 865 NH2 ARG A 60 -6.142 8.956 -2.944 1.00 0.00 N ATOM 0 H ARG A 60 -9.944 5.071 -2.286 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.693 6.172 -1.787 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -11.298 6.049 -4.478 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -12.615 7.091 -3.978 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -10.921 8.642 -3.703 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -10.743 7.863 -2.144 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.050 6.280 -3.152 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -9.203 7.115 -4.685 1.00 0.00 H new ATOM 0 HE ARG A 60 -8.604 9.114 -2.688 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -7.279 6.282 -4.248 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -5.604 6.821 -4.086 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -6.461 9.808 -2.483 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -5.145 8.800 -3.094 1.00 0.00 H new ATOM 879 N ILE A 61 -11.900 3.283 -2.673 1.00 0.00 N ATOM 880 CA ILE A 61 -12.396 1.962 -3.151 1.00 0.00 C ATOM 881 C ILE A 61 -12.406 0.969 -1.984 1.00 0.00 C ATOM 882 O ILE A 61 -11.662 1.113 -1.035 1.00 0.00 O ATOM 883 CB ILE A 61 -11.463 1.443 -4.249 1.00 0.00 C ATOM 884 CG1 ILE A 61 -10.026 1.887 -3.952 1.00 0.00 C ATOM 885 CG2 ILE A 61 -11.904 2.001 -5.604 1.00 0.00 C ATOM 886 CD1 ILE A 61 -9.740 3.217 -4.650 1.00 0.00 C ATOM 0 H ILE A 61 -11.046 3.249 -2.117 1.00 0.00 H new ATOM 0 HA ILE A 61 -13.406 2.070 -3.546 1.00 0.00 H new ATOM 0 HB ILE A 61 -11.507 0.354 -4.277 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -9.883 1.992 -2.877 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -9.323 1.128 -4.294 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -11.239 1.631 -6.384 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -12.924 1.681 -5.815 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -11.863 3.090 -5.580 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.718 3.528 -4.436 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -9.865 3.097 -5.726 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -10.434 3.975 -4.286 1.00 0.00 H new ATOM 898 N PRO A 62 -13.237 -0.039 -2.060 1.00 0.00 N ATOM 899 CA PRO A 62 -13.334 -1.082 -0.998 1.00 0.00 C ATOM 900 C PRO A 62 -11.987 -1.768 -0.754 1.00 0.00 C ATOM 901 O PRO A 62 -11.865 -2.646 0.077 1.00 0.00 O ATOM 902 CB PRO A 62 -14.359 -2.089 -1.539 1.00 0.00 C ATOM 903 CG PRO A 62 -14.523 -1.773 -2.990 1.00 0.00 C ATOM 904 CD PRO A 62 -14.175 -0.298 -3.159 1.00 0.00 C ATOM 0 HA PRO A 62 -13.627 -0.653 -0.040 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -14.011 -3.113 -1.400 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -15.308 -2.001 -1.011 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -13.869 -2.397 -3.598 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -15.544 -1.970 -3.316 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -13.720 -0.102 -4.130 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -15.060 0.334 -3.088 1.00 0.00 H new ATOM 912 N GLY A 63 -10.978 -1.374 -1.481 1.00 0.00 N ATOM 913 CA GLY A 63 -9.639 -2.000 -1.304 1.00 0.00 C ATOM 914 C GLY A 63 -9.391 -2.995 -2.437 1.00 0.00 C ATOM 915 O GLY A 63 -8.346 -3.610 -2.520 1.00 0.00 O ATOM 0 H GLY A 63 -11.024 -0.644 -2.192 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.864 -1.233 -1.302 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -9.587 -2.508 -0.341 1.00 0.00 H new ATOM 919 N LYS A 64 -10.344 -3.156 -3.315 1.00 0.00 N ATOM 920 CA LYS A 64 -10.162 -4.106 -4.445 1.00 0.00 C ATOM 921 C LYS A 64 -9.432 -3.402 -5.591 1.00 0.00 C ATOM 922 O LYS A 64 -9.802 -2.320 -6.002 1.00 0.00 O ATOM 923 CB LYS A 64 -11.530 -4.588 -4.933 1.00 0.00 C ATOM 924 CG LYS A 64 -11.342 -5.716 -5.949 1.00 0.00 C ATOM 925 CD LYS A 64 -12.706 -6.149 -6.491 1.00 0.00 C ATOM 926 CE LYS A 64 -12.533 -7.374 -7.390 1.00 0.00 C ATOM 927 NZ LYS A 64 -13.213 -7.134 -8.694 1.00 0.00 N ATOM 0 H LYS A 64 -11.240 -2.670 -3.297 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.574 -4.960 -4.109 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -12.125 -4.939 -4.090 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -12.077 -3.762 -5.388 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -10.704 -5.380 -6.767 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -10.840 -6.562 -5.480 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -13.379 -6.382 -5.666 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -13.161 -5.334 -7.053 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -11.474 -7.573 -7.552 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -12.953 -8.256 -6.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -13.095 -7.967 -9.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -14.226 -6.964 -8.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -12.793 -6.303 -9.157 1.00 0.00 H new ATOM 941 N CYS A 65 -8.400 -4.011 -6.110 1.00 0.00 N ATOM 942 CA CYS A 65 -7.640 -3.386 -7.232 1.00 0.00 C ATOM 943 C CYS A 65 -7.787 -4.246 -8.489 1.00 0.00 C ATOM 944 O CYS A 65 -8.101 -5.418 -8.419 1.00 0.00 O ATOM 945 CB CYS A 65 -6.162 -3.287 -6.851 1.00 0.00 C ATOM 946 SG CYS A 65 -5.865 -1.725 -5.984 1.00 0.00 S ATOM 0 H CYS A 65 -8.049 -4.918 -5.804 1.00 0.00 H new ATOM 0 HA CYS A 65 -8.033 -2.388 -7.427 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -5.882 -4.127 -6.215 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -5.541 -3.343 -7.745 1.00 0.00 H new ATOM 951 N HIS A 66 -7.562 -3.673 -9.639 1.00 0.00 N ATOM 952 CA HIS A 66 -7.688 -4.456 -10.901 1.00 0.00 C ATOM 953 C HIS A 66 -6.590 -5.520 -10.953 1.00 0.00 C ATOM 954 O HIS A 66 -5.741 -5.425 -11.824 1.00 0.00 O ATOM 955 CB HIS A 66 -7.546 -3.516 -12.099 1.00 0.00 C ATOM 956 CG HIS A 66 -7.730 -4.295 -13.373 1.00 0.00 C ATOM 957 ND1 HIS A 66 -6.657 -4.807 -14.089 1.00 0.00 N ATOM 958 CD2 HIS A 66 -8.855 -4.656 -14.074 1.00 0.00 C ATOM 959 CE1 HIS A 66 -7.153 -5.443 -15.167 1.00 0.00 C ATOM 960 NE2 HIS A 66 -8.486 -5.379 -15.202 1.00 0.00 N ATOM 961 OXT HIS A 66 -6.616 -6.412 -10.121 1.00 0.00 O ATOM 0 H HIS A 66 -7.296 -2.696 -9.760 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.664 -4.941 -10.933 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -8.286 -2.718 -12.038 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -6.564 -3.042 -12.089 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -5.671 -4.718 -13.843 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -9.869 -4.415 -13.792 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -6.549 -5.942 -15.910 1.00 0.00 H new TER 970 HIS A 66