USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 602 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 65 MET CE :methyl -178:sc=-0.00733 (180deg=-0.0129) USER MOD Set 1.2: A 71 LYS NZ :NH3+ -161:sc= -1.51 (180deg=-2.45!) USER MOD Set 2.1: A 22 THR OG1 : rot 94:sc= 1.12 USER MOD Set 2.2: A 33 THR OG1 : rot -82:sc= 1.09 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.0947 X(o=-0.095,f=-0.011) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot -87:sc= -0.671! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 145:sc= -0.325 (180deg=-1.57!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.104 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -0.0145 X(o=-0.015,f=-0.19) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 THR OG1 : rot 132:sc= -0.6 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 68:sc= -0.825 USER MOD Single : A 93 TYR OH : rot 180:sc= -0.926 USER MOD ----------------------------------------------------------------- ATOM 74 N LYS A 6 9.255 7.798 -10.002 1.00 0.00 N ATOM 75 CA LYS A 6 8.868 6.560 -9.337 1.00 0.00 C ATOM 76 C LYS A 6 8.920 6.713 -7.819 1.00 0.00 C ATOM 77 O LYS A 6 9.704 7.500 -7.291 1.00 0.00 O ATOM 78 CB LYS A 6 9.778 5.411 -9.780 1.00 0.00 C ATOM 79 CG LYS A 6 9.018 4.193 -10.282 1.00 0.00 C ATOM 80 CD LYS A 6 8.071 4.555 -11.414 1.00 0.00 C ATOM 81 CE LYS A 6 8.022 3.464 -12.471 1.00 0.00 C ATOM 82 NZ LYS A 6 8.993 3.714 -13.571 1.00 0.00 N ATOM 0 HA LYS A 6 7.841 6.331 -9.623 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.440 5.767 -10.569 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.410 5.115 -8.943 1.00 0.00 H new ATOM 0 HG2 LYS A 6 9.725 3.438 -10.625 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.453 3.751 -9.461 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.071 4.720 -11.014 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.390 5.492 -11.871 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.237 2.501 -12.009 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.015 3.402 -12.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 8.929 2.948 -14.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.773 4.621 -14.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 9.957 3.748 -13.182 1.00 0.00 H new ATOM 96 N LEU A 7 8.077 5.955 -7.125 1.00 0.00 N ATOM 97 CA LEU A 7 8.023 6.004 -5.669 1.00 0.00 C ATOM 98 C LEU A 7 9.244 5.324 -5.054 1.00 0.00 C ATOM 99 O LEU A 7 9.881 4.481 -5.685 1.00 0.00 O ATOM 100 CB LEU A 7 6.744 5.335 -5.162 1.00 0.00 C ATOM 101 CG LEU A 7 6.553 3.882 -5.605 1.00 0.00 C ATOM 102 CD1 LEU A 7 7.022 2.926 -4.520 1.00 0.00 C ATOM 103 CD2 LEU A 7 5.095 3.618 -5.954 1.00 0.00 C ATOM 0 H LEU A 7 7.421 5.299 -7.549 1.00 0.00 H new ATOM 0 HA LEU A 7 8.022 7.051 -5.367 1.00 0.00 H new ATOM 0 HB2 LEU A 7 6.741 5.370 -4.073 1.00 0.00 H new ATOM 0 HB3 LEU A 7 5.888 5.918 -5.502 1.00 0.00 H new ATOM 0 HG LEU A 7 7.157 3.713 -6.496 1.00 0.00 H new ATOM 0 HD11 LEU A 7 6.878 1.898 -4.854 1.00 0.00 H new ATOM 0 HD12 LEU A 7 8.079 3.097 -4.317 1.00 0.00 H new ATOM 0 HD13 LEU A 7 6.445 3.096 -3.611 1.00 0.00 H new ATOM 0 HD21 LEU A 7 4.978 2.580 -6.267 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.472 3.806 -5.080 1.00 0.00 H new ATOM 0 HD23 LEU A 7 4.790 4.278 -6.766 1.00 0.00 H new ATOM 115 N HIS A 8 9.561 5.696 -3.819 1.00 0.00 N ATOM 116 CA HIS A 8 10.704 5.123 -3.117 1.00 0.00 C ATOM 117 C HIS A 8 10.351 3.757 -2.536 1.00 0.00 C ATOM 118 O HIS A 8 9.386 3.623 -1.784 1.00 0.00 O ATOM 119 CB HIS A 8 11.166 6.059 -1.998 1.00 0.00 C ATOM 120 CG HIS A 8 12.172 7.073 -2.443 1.00 0.00 C ATOM 121 ND1 HIS A 8 12.065 8.417 -2.154 1.00 0.00 N ATOM 122 CD2 HIS A 8 13.314 6.935 -3.159 1.00 0.00 C ATOM 123 CE1 HIS A 8 13.094 9.062 -2.673 1.00 0.00 C ATOM 124 NE2 HIS A 8 13.867 8.185 -3.287 1.00 0.00 N ATOM 0 H HIS A 8 9.043 6.392 -3.283 1.00 0.00 H new ATOM 0 HA HIS A 8 11.515 4.999 -3.834 1.00 0.00 H new ATOM 0 HB2 HIS A 8 10.299 6.576 -1.587 1.00 0.00 H new ATOM 0 HB3 HIS A 8 11.594 5.464 -1.192 1.00 0.00 H new ATOM 0 HD2 HIS A 8 13.715 6.014 -3.555 1.00 0.00 H new ATOM 0 HE1 HIS A 8 13.273 10.125 -2.607 1.00 0.00 H new ATOM 0 HE2 HIS A 8 14.735 8.401 -3.777 1.00 0.00 H new ATOM 133 N LYS A 9 11.138 2.745 -2.888 1.00 0.00 N ATOM 134 CA LYS A 9 10.905 1.393 -2.399 1.00 0.00 C ATOM 135 C LYS A 9 11.857 1.055 -1.257 1.00 0.00 C ATOM 136 O LYS A 9 13.052 0.851 -1.470 1.00 0.00 O ATOM 137 CB LYS A 9 11.072 0.380 -3.534 1.00 0.00 C ATOM 138 CG LYS A 9 12.298 0.628 -4.397 1.00 0.00 C ATOM 139 CD LYS A 9 12.831 -0.665 -4.993 1.00 0.00 C ATOM 140 CE LYS A 9 11.984 -1.127 -6.167 1.00 0.00 C ATOM 141 NZ LYS A 9 12.817 -1.698 -7.261 1.00 0.00 N ATOM 0 H LYS A 9 11.942 2.837 -3.510 1.00 0.00 H new ATOM 0 HA LYS A 9 9.883 1.342 -2.023 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.134 -0.622 -3.109 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.183 0.404 -4.165 1.00 0.00 H new ATOM 0 HG2 LYS A 9 12.046 1.322 -5.198 1.00 0.00 H new ATOM 0 HG3 LYS A 9 13.076 1.102 -3.798 1.00 0.00 H new ATOM 0 HD2 LYS A 9 13.860 -0.519 -5.321 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.847 -1.440 -4.227 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.269 -1.876 -5.826 1.00 0.00 H new ATOM 0 HE3 LYS A 9 11.406 -0.286 -6.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 12.202 -2.001 -8.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.482 -0.976 -7.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.349 -2.516 -6.901 1.00 0.00 H new ATOM 155 N GLU A 10 11.317 0.996 -0.044 1.00 0.00 N ATOM 156 CA GLU A 10 12.113 0.681 1.135 1.00 0.00 C ATOM 157 C GLU A 10 11.238 0.085 2.237 1.00 0.00 C ATOM 158 O GLU A 10 10.287 0.723 2.691 1.00 0.00 O ATOM 159 CB GLU A 10 12.817 1.937 1.651 1.00 0.00 C ATOM 160 CG GLU A 10 14.077 1.645 2.451 1.00 0.00 C ATOM 161 CD GLU A 10 15.342 1.884 1.652 1.00 0.00 C ATOM 162 OE1 GLU A 10 15.451 2.957 1.020 1.00 0.00 O ATOM 163 OE2 GLU A 10 16.223 1.001 1.656 1.00 0.00 O ATOM 0 H GLU A 10 10.329 1.163 0.148 1.00 0.00 H new ATOM 0 HA GLU A 10 12.864 -0.057 0.851 1.00 0.00 H new ATOM 0 HB2 GLU A 10 13.074 2.573 0.804 1.00 0.00 H new ATOM 0 HB3 GLU A 10 12.124 2.501 2.275 1.00 0.00 H new ATOM 0 HG2 GLU A 10 14.091 2.272 3.342 1.00 0.00 H new ATOM 0 HG3 GLU A 10 14.056 0.609 2.790 1.00 0.00 H new ATOM 170 N PRO A 11 11.542 -1.148 2.683 1.00 0.00 N ATOM 171 CA PRO A 11 10.768 -1.813 3.732 1.00 0.00 C ATOM 172 C PRO A 11 11.127 -1.302 5.121 1.00 0.00 C ATOM 173 O PRO A 11 12.273 -0.939 5.383 1.00 0.00 O ATOM 174 CB PRO A 11 11.169 -3.277 3.580 1.00 0.00 C ATOM 175 CG PRO A 11 12.564 -3.229 3.058 1.00 0.00 C ATOM 176 CD PRO A 11 12.653 -1.992 2.201 1.00 0.00 C ATOM 0 HA PRO A 11 9.697 -1.636 3.632 1.00 0.00 H new ATOM 0 HB2 PRO A 11 11.120 -3.803 4.533 1.00 0.00 H new ATOM 0 HB3 PRO A 11 10.505 -3.801 2.892 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.284 -3.188 3.876 1.00 0.00 H new ATOM 0 HG3 PRO A 11 12.792 -4.122 2.476 1.00 0.00 H new ATOM 0 HD2 PRO A 11 13.615 -1.493 2.318 1.00 0.00 H new ATOM 0 HD3 PRO A 11 12.544 -2.230 1.143 1.00 0.00 H new ATOM 184 N ALA A 12 10.139 -1.271 6.011 1.00 0.00 N ATOM 185 CA ALA A 12 10.359 -0.799 7.371 1.00 0.00 C ATOM 186 C ALA A 12 9.860 -1.814 8.400 1.00 0.00 C ATOM 187 O ALA A 12 10.626 -2.653 8.869 1.00 0.00 O ATOM 188 CB ALA A 12 9.688 0.553 7.572 1.00 0.00 C ATOM 0 H ALA A 12 9.183 -1.566 5.814 1.00 0.00 H new ATOM 0 HA ALA A 12 11.432 -0.682 7.522 1.00 0.00 H new ATOM 0 HB1 ALA A 12 9.859 0.896 8.592 1.00 0.00 H new ATOM 0 HB2 ALA A 12 10.107 1.275 6.871 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.617 0.457 7.396 1.00 0.00 H new ATOM 194 N THR A 13 8.573 -1.733 8.747 1.00 0.00 N ATOM 195 CA THR A 13 7.974 -2.645 9.723 1.00 0.00 C ATOM 196 C THR A 13 6.596 -2.150 10.161 1.00 0.00 C ATOM 197 O THR A 13 6.468 -1.059 10.718 1.00 0.00 O ATOM 198 CB THR A 13 8.873 -2.798 10.958 1.00 0.00 C ATOM 199 OG1 THR A 13 9.779 -1.714 11.063 1.00 0.00 O ATOM 200 CG2 THR A 13 9.683 -4.075 10.954 1.00 0.00 C ATOM 0 H THR A 13 7.925 -1.044 8.365 1.00 0.00 H new ATOM 0 HA THR A 13 7.867 -3.615 9.237 1.00 0.00 H new ATOM 0 HB THR A 13 8.190 -2.822 11.807 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.587 -1.912 10.546 1.00 0.00 H new ATOM 0 HG21 THR A 13 10.296 -4.120 11.854 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.010 -4.932 10.930 1.00 0.00 H new ATOM 0 HG23 THR A 13 10.327 -4.094 10.075 1.00 0.00 H new ATOM 208 N LEU A 14 5.572 -2.962 9.919 1.00 0.00 N ATOM 209 CA LEU A 14 4.210 -2.609 10.305 1.00 0.00 C ATOM 210 C LEU A 14 3.950 -3.017 11.751 1.00 0.00 C ATOM 211 O LEU A 14 4.613 -3.908 12.279 1.00 0.00 O ATOM 212 CB LEU A 14 3.196 -3.288 9.384 1.00 0.00 C ATOM 213 CG LEU A 14 1.799 -2.662 9.378 1.00 0.00 C ATOM 214 CD1 LEU A 14 1.789 -1.387 8.550 1.00 0.00 C ATOM 215 CD2 LEU A 14 0.776 -3.654 8.847 1.00 0.00 C ATOM 0 H LEU A 14 5.659 -3.868 9.458 1.00 0.00 H new ATOM 0 HA LEU A 14 4.097 -1.529 10.213 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.587 -3.274 8.367 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.107 -4.334 9.677 1.00 0.00 H new ATOM 0 HG LEU A 14 1.530 -2.406 10.403 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.788 -0.956 8.557 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.495 -0.672 8.974 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.077 -1.617 7.524 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.212 -3.194 8.849 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.041 -3.940 7.829 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.765 -4.540 9.482 1.00 0.00 H new ATOM 227 N ILE A 15 2.994 -2.355 12.394 1.00 0.00 N ATOM 228 CA ILE A 15 2.673 -2.654 13.783 1.00 0.00 C ATOM 229 C ILE A 15 1.193 -2.978 13.969 1.00 0.00 C ATOM 230 O ILE A 15 0.826 -4.128 14.202 1.00 0.00 O ATOM 231 CB ILE A 15 3.060 -1.486 14.707 1.00 0.00 C ATOM 232 CG1 ILE A 15 4.493 -1.035 14.412 1.00 0.00 C ATOM 233 CG2 ILE A 15 2.916 -1.891 16.166 1.00 0.00 C ATOM 234 CD1 ILE A 15 4.767 0.402 14.795 1.00 0.00 C ATOM 0 H ILE A 15 2.432 -1.613 11.978 1.00 0.00 H new ATOM 0 HA ILE A 15 3.256 -3.534 14.054 1.00 0.00 H new ATOM 0 HB ILE A 15 2.386 -0.651 14.517 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.186 -1.683 14.948 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.694 -1.163 13.348 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.194 -1.053 16.805 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.882 -2.172 16.365 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.569 -2.738 16.375 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.801 0.651 14.557 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.098 1.060 14.240 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.599 0.532 15.864 1.00 0.00 H new ATOM 246 N LYS A 16 0.346 -1.957 13.874 1.00 0.00 N ATOM 247 CA LYS A 16 -1.091 -2.145 14.045 1.00 0.00 C ATOM 248 C LYS A 16 -1.858 -1.725 12.793 1.00 0.00 C ATOM 249 O LYS A 16 -1.466 -0.790 12.096 1.00 0.00 O ATOM 250 CB LYS A 16 -1.588 -1.349 15.254 1.00 0.00 C ATOM 251 CG LYS A 16 -2.340 -2.193 16.269 1.00 0.00 C ATOM 252 CD LYS A 16 -1.423 -3.201 16.942 1.00 0.00 C ATOM 253 CE LYS A 16 -0.944 -2.702 18.297 1.00 0.00 C ATOM 254 NZ LYS A 16 -0.509 -3.820 19.179 1.00 0.00 N ATOM 0 H LYS A 16 0.628 -0.996 13.681 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.272 -3.206 14.214 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.736 -0.879 15.745 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.239 -0.546 14.908 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.787 -1.545 17.023 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.158 -2.717 15.774 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.950 -4.147 17.067 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.564 -3.397 16.301 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.116 -2.008 18.156 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.746 -2.147 18.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.190 -3.438 20.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.306 -4.470 19.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.274 -4.335 18.727 1.00 0.00 H new ATOM 268 N ALA A 17 -2.956 -2.422 12.522 1.00 0.00 N ATOM 269 CA ALA A 17 -3.785 -2.123 11.362 1.00 0.00 C ATOM 270 C ALA A 17 -5.241 -1.926 11.769 1.00 0.00 C ATOM 271 O ALA A 17 -5.985 -2.891 11.943 1.00 0.00 O ATOM 272 CB ALA A 17 -3.668 -3.232 10.327 1.00 0.00 C ATOM 0 H ALA A 17 -3.292 -3.199 13.091 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.428 -1.193 10.920 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -4.293 -2.994 9.466 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.630 -3.323 10.007 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -3.997 -4.174 10.765 1.00 0.00 H new ATOM 278 N ILE A 18 -5.641 -0.668 11.923 1.00 0.00 N ATOM 279 CA ILE A 18 -7.007 -0.341 12.314 1.00 0.00 C ATOM 280 C ILE A 18 -8.006 -0.771 11.238 1.00 0.00 C ATOM 281 O ILE A 18 -7.675 -1.567 10.359 1.00 0.00 O ATOM 282 CB ILE A 18 -7.157 1.169 12.597 1.00 0.00 C ATOM 283 CG1 ILE A 18 -6.901 1.984 11.328 1.00 0.00 C ATOM 284 CG2 ILE A 18 -6.203 1.594 13.704 1.00 0.00 C ATOM 285 CD1 ILE A 18 -7.713 3.259 11.261 1.00 0.00 C ATOM 0 H ILE A 18 -5.038 0.142 11.783 1.00 0.00 H new ATOM 0 HA ILE A 18 -7.224 -0.891 13.230 1.00 0.00 H new ATOM 0 HB ILE A 18 -8.179 1.360 12.924 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -5.841 2.233 11.272 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -7.130 1.369 10.457 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.319 2.661 13.894 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.429 1.037 14.613 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.177 1.389 13.399 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -7.483 3.788 10.336 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -8.775 3.016 11.286 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -7.466 3.893 12.113 1.00 0.00 H new ATOM 297 N ASP A 19 -9.229 -0.250 11.316 1.00 0.00 N ATOM 298 CA ASP A 19 -10.272 -0.589 10.351 1.00 0.00 C ATOM 299 C ASP A 19 -9.966 -0.011 8.969 1.00 0.00 C ATOM 300 O ASP A 19 -10.715 0.822 8.457 1.00 0.00 O ATOM 301 CB ASP A 19 -11.628 -0.077 10.842 1.00 0.00 C ATOM 302 CG ASP A 19 -12.069 -0.746 12.130 1.00 0.00 C ATOM 303 OD1 ASP A 19 -11.473 -0.451 13.186 1.00 0.00 O ATOM 304 OD2 ASP A 19 -13.011 -1.564 12.079 1.00 0.00 O ATOM 0 H ASP A 19 -9.522 0.409 12.038 1.00 0.00 H new ATOM 0 HA ASP A 19 -10.304 -1.675 10.262 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -11.572 1.000 10.997 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -12.379 -0.250 10.071 1.00 0.00 H new ATOM 309 N GLY A 20 -8.869 -0.467 8.369 1.00 0.00 N ATOM 310 CA GLY A 20 -8.481 0.003 7.047 1.00 0.00 C ATOM 311 C GLY A 20 -8.641 1.503 6.872 1.00 0.00 C ATOM 312 O GLY A 20 -9.519 1.957 6.139 1.00 0.00 O ATOM 0 H GLY A 20 -8.238 -1.157 8.776 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -7.441 -0.268 6.863 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.082 -0.510 6.296 1.00 0.00 H new ATOM 316 N ASP A 21 -7.791 2.272 7.544 1.00 0.00 N ATOM 317 CA ASP A 21 -7.846 3.728 7.451 1.00 0.00 C ATOM 318 C ASP A 21 -6.451 4.341 7.573 1.00 0.00 C ATOM 319 O ASP A 21 -6.124 5.299 6.872 1.00 0.00 O ATOM 320 CB ASP A 21 -8.769 4.298 8.530 1.00 0.00 C ATOM 321 CG ASP A 21 -9.971 5.012 7.945 1.00 0.00 C ATOM 322 OD1 ASP A 21 -9.806 6.151 7.458 1.00 0.00 O ATOM 323 OD2 ASP A 21 -11.077 4.433 7.972 1.00 0.00 O ATOM 0 H ASP A 21 -7.058 1.914 8.157 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.247 3.986 6.471 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -9.110 3.490 9.177 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -8.207 4.991 9.156 1.00 0.00 H new ATOM 328 N THR A 22 -5.633 3.786 8.463 1.00 0.00 N ATOM 329 CA THR A 22 -4.278 4.284 8.666 1.00 0.00 C ATOM 330 C THR A 22 -3.467 3.332 9.539 1.00 0.00 C ATOM 331 O THR A 22 -3.833 3.056 10.681 1.00 0.00 O ATOM 332 CB THR A 22 -4.313 5.675 9.301 1.00 0.00 C ATOM 333 OG1 THR A 22 -3.001 6.138 9.563 1.00 0.00 O ATOM 334 CG2 THR A 22 -5.085 5.723 10.601 1.00 0.00 C ATOM 0 H THR A 22 -5.885 2.993 9.053 1.00 0.00 H new ATOM 0 HA THR A 22 -3.795 4.349 7.691 1.00 0.00 H new ATOM 0 HB THR A 22 -4.820 6.310 8.575 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.688 6.679 8.808 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.069 6.739 10.996 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.116 5.419 10.423 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.626 5.046 11.322 1.00 0.00 H new ATOM 342 N VAL A 23 -2.361 2.833 8.991 1.00 0.00 N ATOM 343 CA VAL A 23 -1.492 1.915 9.718 1.00 0.00 C ATOM 344 C VAL A 23 -0.102 2.518 9.910 1.00 0.00 C ATOM 345 O VAL A 23 0.493 3.026 8.963 1.00 0.00 O ATOM 346 CB VAL A 23 -1.358 0.565 8.983 1.00 0.00 C ATOM 347 CG1 VAL A 23 -2.717 -0.103 8.842 1.00 0.00 C ATOM 348 CG2 VAL A 23 -0.709 0.756 7.619 1.00 0.00 C ATOM 0 H VAL A 23 -2.047 3.050 8.045 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.952 1.744 10.691 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.716 -0.085 9.577 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.603 -1.054 8.321 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.140 -0.279 9.831 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.384 0.545 8.273 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.624 -0.208 7.118 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.321 1.426 7.015 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.284 1.187 7.746 1.00 0.00 H new ATOM 358 N LYS A 24 0.404 2.458 11.139 1.00 0.00 N ATOM 359 CA LYS A 24 1.720 3.008 11.451 1.00 0.00 C ATOM 360 C LYS A 24 2.832 2.061 11.012 1.00 0.00 C ATOM 361 O LYS A 24 2.668 0.842 11.030 1.00 0.00 O ATOM 362 CB LYS A 24 1.836 3.279 12.954 1.00 0.00 C ATOM 363 CG LYS A 24 1.510 2.071 13.819 1.00 0.00 C ATOM 364 CD LYS A 24 0.125 2.183 14.439 1.00 0.00 C ATOM 365 CE LYS A 24 0.148 1.845 15.922 1.00 0.00 C ATOM 366 NZ LYS A 24 1.226 2.577 16.642 1.00 0.00 N ATOM 0 H LYS A 24 -0.076 2.035 11.933 1.00 0.00 H new ATOM 0 HA LYS A 24 1.830 3.944 10.904 1.00 0.00 H new ATOM 0 HB2 LYS A 24 2.850 3.612 13.177 1.00 0.00 H new ATOM 0 HB3 LYS A 24 1.166 4.097 13.220 1.00 0.00 H new ATOM 0 HG2 LYS A 24 1.567 1.165 13.216 1.00 0.00 H new ATOM 0 HG3 LYS A 24 2.256 1.976 14.608 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.255 3.195 14.302 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.561 1.512 13.923 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.817 2.091 16.365 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.292 0.772 16.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.901 2.820 17.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.072 1.975 16.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.460 3.448 16.124 1.00 0.00 H new ATOM 380 N LEU A 25 3.960 2.639 10.611 1.00 0.00 N ATOM 381 CA LEU A 25 5.105 1.859 10.158 1.00 0.00 C ATOM 382 C LEU A 25 6.410 2.476 10.650 1.00 0.00 C ATOM 383 O LEU A 25 6.678 3.654 10.416 1.00 0.00 O ATOM 384 CB LEU A 25 5.112 1.777 8.630 1.00 0.00 C ATOM 385 CG LEU A 25 5.875 0.586 8.047 1.00 0.00 C ATOM 386 CD1 LEU A 25 4.939 -0.592 7.839 1.00 0.00 C ATOM 387 CD2 LEU A 25 6.547 0.973 6.739 1.00 0.00 C ATOM 0 H LEU A 25 4.105 3.648 10.591 1.00 0.00 H new ATOM 0 HA LEU A 25 5.020 0.854 10.572 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.081 1.735 8.279 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.546 2.695 8.234 1.00 0.00 H new ATOM 0 HG LEU A 25 6.649 0.290 8.755 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.497 -1.431 7.424 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.503 -0.883 8.795 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.144 -0.308 7.149 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.085 0.114 6.338 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.791 1.294 6.022 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.247 1.789 6.917 1.00 0.00 H new ATOM 399 N MET A 26 7.222 1.674 11.333 1.00 0.00 N ATOM 400 CA MET A 26 8.500 2.149 11.852 1.00 0.00 C ATOM 401 C MET A 26 9.509 2.333 10.723 1.00 0.00 C ATOM 402 O MET A 26 10.118 1.370 10.259 1.00 0.00 O ATOM 403 CB MET A 26 9.051 1.165 12.887 1.00 0.00 C ATOM 404 CG MET A 26 8.169 1.014 14.115 1.00 0.00 C ATOM 405 SD MET A 26 8.510 -0.502 15.032 1.00 0.00 S ATOM 406 CE MET A 26 8.331 0.074 16.719 1.00 0.00 C ATOM 0 H MET A 26 7.019 0.696 11.539 1.00 0.00 H new ATOM 0 HA MET A 26 8.334 3.114 12.330 1.00 0.00 H new ATOM 0 HB2 MET A 26 9.175 0.189 12.418 1.00 0.00 H new ATOM 0 HB3 MET A 26 10.041 1.497 13.200 1.00 0.00 H new ATOM 0 HG2 MET A 26 8.316 1.872 14.771 1.00 0.00 H new ATOM 0 HG3 MET A 26 7.123 1.022 13.810 1.00 0.00 H new ATOM 0 HE1 MET A 26 8.512 -0.752 17.407 1.00 0.00 H new ATOM 0 HE2 MET A 26 9.051 0.870 16.910 1.00 0.00 H new ATOM 0 HE3 MET A 26 7.321 0.455 16.868 1.00 0.00 H new ATOM 416 N TYR A 27 9.680 3.576 10.285 1.00 0.00 N ATOM 417 CA TYR A 27 10.614 3.884 9.208 1.00 0.00 C ATOM 418 C TYR A 27 11.606 4.961 9.637 1.00 0.00 C ATOM 419 O TYR A 27 11.213 6.034 10.097 1.00 0.00 O ATOM 420 CB TYR A 27 9.851 4.342 7.963 1.00 0.00 C ATOM 421 CG TYR A 27 10.746 4.725 6.805 1.00 0.00 C ATOM 422 CD1 TYR A 27 11.153 3.780 5.872 1.00 0.00 C ATOM 423 CD2 TYR A 27 11.185 6.034 6.648 1.00 0.00 C ATOM 424 CE1 TYR A 27 11.972 4.128 4.816 1.00 0.00 C ATOM 425 CE2 TYR A 27 12.004 6.388 5.593 1.00 0.00 C ATOM 426 CZ TYR A 27 12.395 5.433 4.680 1.00 0.00 C ATOM 427 OH TYR A 27 13.210 5.782 3.628 1.00 0.00 O ATOM 0 H TYR A 27 9.185 4.386 10.659 1.00 0.00 H new ATOM 0 HA TYR A 27 11.172 2.978 8.973 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.182 3.543 7.644 1.00 0.00 H new ATOM 0 HB3 TYR A 27 9.226 5.196 8.225 1.00 0.00 H new ATOM 0 HD1 TYR A 27 10.824 2.757 5.974 1.00 0.00 H new ATOM 0 HD2 TYR A 27 10.881 6.786 7.361 1.00 0.00 H new ATOM 0 HE1 TYR A 27 12.280 3.381 4.100 1.00 0.00 H new ATOM 0 HE2 TYR A 27 12.337 7.410 5.484 1.00 0.00 H new ATOM 0 HH TYR A 27 13.416 6.739 3.677 1.00 0.00 H new ATOM 437 N LYS A 28 12.894 4.669 9.479 1.00 0.00 N ATOM 438 CA LYS A 28 13.945 5.612 9.848 1.00 0.00 C ATOM 439 C LYS A 28 13.811 6.040 11.305 1.00 0.00 C ATOM 440 O LYS A 28 14.128 7.174 11.663 1.00 0.00 O ATOM 441 CB LYS A 28 13.895 6.842 8.938 1.00 0.00 C ATOM 442 CG LYS A 28 15.258 7.456 8.670 1.00 0.00 C ATOM 443 CD LYS A 28 15.871 6.915 7.387 1.00 0.00 C ATOM 444 CE LYS A 28 15.298 7.604 6.159 1.00 0.00 C ATOM 445 NZ LYS A 28 16.281 8.535 5.535 1.00 0.00 N ATOM 0 H LYS A 28 13.235 3.786 9.098 1.00 0.00 H new ATOM 0 HA LYS A 28 14.905 5.112 9.724 1.00 0.00 H new ATOM 0 HB2 LYS A 28 13.439 6.563 7.988 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.250 7.594 9.393 1.00 0.00 H new ATOM 0 HG2 LYS A 28 15.163 8.540 8.600 1.00 0.00 H new ATOM 0 HG3 LYS A 28 15.923 7.248 9.508 1.00 0.00 H new ATOM 0 HD2 LYS A 28 16.952 7.055 7.412 1.00 0.00 H new ATOM 0 HD3 LYS A 28 15.690 5.842 7.321 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.995 6.853 5.429 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.401 8.157 6.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 15.852 8.985 4.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 16.551 9.267 6.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 17.127 8.004 5.245 1.00 0.00 H new ATOM 459 N GLY A 29 13.338 5.123 12.145 1.00 0.00 N ATOM 460 CA GLY A 29 13.169 5.427 13.554 1.00 0.00 C ATOM 461 C GLY A 29 12.068 6.441 13.800 1.00 0.00 C ATOM 462 O GLY A 29 12.035 7.087 14.848 1.00 0.00 O ATOM 0 H GLY A 29 13.069 4.177 11.875 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.941 4.509 14.096 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.107 5.810 13.955 1.00 0.00 H new ATOM 466 N GLN A 30 11.164 6.582 12.836 1.00 0.00 N ATOM 467 CA GLN A 30 10.059 7.524 12.955 1.00 0.00 C ATOM 468 C GLN A 30 8.744 6.877 12.522 1.00 0.00 C ATOM 469 O GLN A 30 8.608 6.441 11.379 1.00 0.00 O ATOM 470 CB GLN A 30 10.331 8.770 12.108 1.00 0.00 C ATOM 471 CG GLN A 30 11.006 9.893 12.878 1.00 0.00 C ATOM 472 CD GLN A 30 11.536 10.986 11.970 1.00 0.00 C ATOM 473 OE1 GLN A 30 10.986 12.087 11.919 1.00 0.00 O ATOM 474 NE2 GLN A 30 12.608 10.685 11.247 1.00 0.00 N ATOM 0 H GLN A 30 11.176 6.055 11.963 1.00 0.00 H new ATOM 0 HA GLN A 30 9.973 7.816 14.002 1.00 0.00 H new ATOM 0 HB2 GLN A 30 10.958 8.493 11.261 1.00 0.00 H new ATOM 0 HB3 GLN A 30 9.388 9.135 11.701 1.00 0.00 H new ATOM 0 HG2 GLN A 30 10.295 10.324 13.583 1.00 0.00 H new ATOM 0 HG3 GLN A 30 11.828 9.483 13.465 1.00 0.00 H new ATOM 0 HE21 GLN A 30 13.030 9.760 11.322 1.00 0.00 H new ATOM 0 HE22 GLN A 30 13.009 11.379 10.617 1.00 0.00 H new ATOM 483 N PRO A 31 7.753 6.799 13.431 1.00 0.00 N ATOM 484 CA PRO A 31 6.451 6.195 13.125 1.00 0.00 C ATOM 485 C PRO A 31 5.736 6.903 11.979 1.00 0.00 C ATOM 486 O PRO A 31 5.658 8.130 11.946 1.00 0.00 O ATOM 487 CB PRO A 31 5.657 6.355 14.426 1.00 0.00 C ATOM 488 CG PRO A 31 6.683 6.563 15.485 1.00 0.00 C ATOM 489 CD PRO A 31 7.819 7.286 14.820 1.00 0.00 C ATOM 0 HA PRO A 31 6.556 5.159 12.802 1.00 0.00 H new ATOM 0 HB2 PRO A 31 4.973 7.202 14.368 1.00 0.00 H new ATOM 0 HB3 PRO A 31 5.053 5.471 14.630 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.279 7.147 16.312 1.00 0.00 H new ATOM 0 HG3 PRO A 31 7.015 5.611 15.900 1.00 0.00 H new ATOM 0 HD2 PRO A 31 7.696 8.368 14.875 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.776 7.050 15.286 1.00 0.00 H new ATOM 497 N MET A 32 5.213 6.117 11.044 1.00 0.00 N ATOM 498 CA MET A 32 4.499 6.658 9.896 1.00 0.00 C ATOM 499 C MET A 32 3.180 5.915 9.699 1.00 0.00 C ATOM 500 O MET A 32 3.174 4.740 9.329 1.00 0.00 O ATOM 501 CB MET A 32 5.367 6.525 8.644 1.00 0.00 C ATOM 502 CG MET A 32 6.667 7.314 8.715 1.00 0.00 C ATOM 503 SD MET A 32 6.398 9.094 8.807 1.00 0.00 S ATOM 504 CE MET A 32 8.009 9.703 8.315 1.00 0.00 C ATOM 0 H MET A 32 5.271 5.099 11.060 1.00 0.00 H new ATOM 0 HA MET A 32 4.283 7.711 10.074 1.00 0.00 H new ATOM 0 HB2 MET A 32 5.599 5.472 8.484 1.00 0.00 H new ATOM 0 HB3 MET A 32 4.795 6.861 7.779 1.00 0.00 H new ATOM 0 HG2 MET A 32 7.236 6.991 9.587 1.00 0.00 H new ATOM 0 HG3 MET A 32 7.273 7.087 7.838 1.00 0.00 H new ATOM 0 HE1 MET A 32 8.004 10.793 8.322 1.00 0.00 H new ATOM 0 HE2 MET A 32 8.764 9.339 9.012 1.00 0.00 H new ATOM 0 HE3 MET A 32 8.241 9.348 7.311 1.00 0.00 H new ATOM 514 N THR A 33 2.064 6.592 9.962 1.00 0.00 N ATOM 515 CA THR A 33 0.753 5.965 9.823 1.00 0.00 C ATOM 516 C THR A 33 -0.146 6.685 8.820 1.00 0.00 C ATOM 517 O THR A 33 -0.967 7.521 9.199 1.00 0.00 O ATOM 518 CB THR A 33 0.060 5.902 11.186 1.00 0.00 C ATOM 519 OG1 THR A 33 -1.190 5.244 11.084 1.00 0.00 O ATOM 520 CG2 THR A 33 -0.185 7.266 11.795 1.00 0.00 C ATOM 0 H THR A 33 2.041 7.564 10.269 1.00 0.00 H new ATOM 0 HA THR A 33 0.921 4.959 9.438 1.00 0.00 H new ATOM 0 HB THR A 33 0.743 5.351 11.833 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.866 5.874 10.758 1.00 0.00 H new ATOM 0 HG21 THR A 33 -0.679 7.150 12.760 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.767 7.779 11.934 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.820 7.852 11.131 1.00 0.00 H new ATOM 528 N PHE A 34 -0.018 6.328 7.546 1.00 0.00 N ATOM 529 CA PHE A 34 -0.856 6.915 6.506 1.00 0.00 C ATOM 530 C PHE A 34 -1.234 5.862 5.469 1.00 0.00 C ATOM 531 O PHE A 34 -0.404 5.463 4.651 1.00 0.00 O ATOM 532 CB PHE A 34 -0.148 8.090 5.827 1.00 0.00 C ATOM 533 CG PHE A 34 1.343 7.943 5.732 1.00 0.00 C ATOM 534 CD1 PHE A 34 1.919 7.243 4.683 1.00 0.00 C ATOM 535 CD2 PHE A 34 2.168 8.513 6.686 1.00 0.00 C ATOM 536 CE1 PHE A 34 3.292 7.117 4.589 1.00 0.00 C ATOM 537 CE2 PHE A 34 3.539 8.389 6.600 1.00 0.00 C ATOM 538 CZ PHE A 34 4.104 7.690 5.549 1.00 0.00 C ATOM 0 H PHE A 34 0.654 5.639 7.210 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.764 7.289 6.978 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.554 8.212 4.823 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -0.377 9.003 6.376 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.288 6.792 3.932 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.733 9.062 7.508 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.730 6.571 3.766 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.171 8.837 7.353 1.00 0.00 H new ATOM 0 HZ PHE A 34 5.177 7.592 5.479 1.00 0.00 H new ATOM 548 N ARG A 35 -2.488 5.419 5.500 1.00 0.00 N ATOM 549 CA ARG A 35 -2.958 4.418 4.551 1.00 0.00 C ATOM 550 C ARG A 35 -4.378 4.715 4.077 1.00 0.00 C ATOM 551 O ARG A 35 -5.348 4.355 4.744 1.00 0.00 O ATOM 552 CB ARG A 35 -2.901 3.025 5.181 1.00 0.00 C ATOM 553 CG ARG A 35 -3.117 1.896 4.186 1.00 0.00 C ATOM 554 CD ARG A 35 -2.491 0.598 4.671 1.00 0.00 C ATOM 555 NE ARG A 35 -3.454 -0.238 5.387 1.00 0.00 N ATOM 556 CZ ARG A 35 -3.164 -1.438 5.888 1.00 0.00 C ATOM 557 NH1 ARG A 35 -1.945 -1.944 5.755 1.00 0.00 N ATOM 558 NH2 ARG A 35 -4.098 -2.133 6.524 1.00 0.00 N ATOM 0 H ARG A 35 -3.191 5.736 6.167 1.00 0.00 H new ATOM 0 HA ARG A 35 -2.300 4.451 3.683 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.932 2.893 5.663 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -3.657 2.958 5.963 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.185 1.749 4.027 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -2.687 2.171 3.223 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -2.094 0.046 3.819 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -1.649 0.823 5.325 1.00 0.00 H new ATOM 0 HE ARG A 35 -4.402 0.118 5.510 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.223 -1.414 5.267 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.729 -2.863 6.141 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -5.037 -1.749 6.629 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -3.877 -3.052 6.908 1.00 0.00 H new ATOM 572 N LEU A 36 -4.500 5.352 2.919 1.00 0.00 N ATOM 573 CA LEU A 36 -5.811 5.666 2.362 1.00 0.00 C ATOM 574 C LEU A 36 -5.805 5.510 0.846 1.00 0.00 C ATOM 575 O LEU A 36 -5.540 6.464 0.113 1.00 0.00 O ATOM 576 CB LEU A 36 -6.239 7.082 2.749 1.00 0.00 C ATOM 577 CG LEU A 36 -5.237 8.185 2.403 1.00 0.00 C ATOM 578 CD1 LEU A 36 -5.968 9.447 1.962 1.00 0.00 C ATOM 579 CD2 LEU A 36 -4.333 8.473 3.594 1.00 0.00 C ATOM 0 H LEU A 36 -3.712 5.660 2.349 1.00 0.00 H new ATOM 0 HA LEU A 36 -6.532 4.962 2.778 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -7.185 7.305 2.256 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.425 7.107 3.823 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.614 7.844 1.576 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.241 10.222 1.719 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -6.573 9.228 1.082 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -6.613 9.794 2.769 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -3.626 9.260 3.332 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.939 8.796 4.441 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.787 7.569 3.863 1.00 0.00 H new ATOM 591 N LEU A 37 -6.101 4.302 0.379 1.00 0.00 N ATOM 592 CA LEU A 37 -6.130 4.020 -1.050 1.00 0.00 C ATOM 593 C LEU A 37 -7.394 3.250 -1.425 1.00 0.00 C ATOM 594 O LEU A 37 -7.433 2.022 -1.346 1.00 0.00 O ATOM 595 CB LEU A 37 -4.882 3.228 -1.458 1.00 0.00 C ATOM 596 CG LEU A 37 -4.912 2.651 -2.879 1.00 0.00 C ATOM 597 CD1 LEU A 37 -3.633 2.998 -3.625 1.00 0.00 C ATOM 598 CD2 LEU A 37 -5.115 1.143 -2.839 1.00 0.00 C ATOM 0 H LEU A 37 -6.324 3.502 0.971 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.137 4.968 -1.588 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.012 3.878 -1.365 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.744 2.408 -0.753 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.751 3.097 -3.412 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.674 2.580 -4.631 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.530 4.081 -3.686 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.777 2.582 -3.093 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.134 0.751 -3.856 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.297 0.680 -2.287 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.060 0.916 -2.345 1.00 0.00 H new ATOM 610 N LEU A 38 -8.424 3.984 -1.834 1.00 0.00 N ATOM 611 CA LEU A 38 -9.692 3.377 -2.225 1.00 0.00 C ATOM 612 C LEU A 38 -10.376 4.201 -3.312 1.00 0.00 C ATOM 613 O LEU A 38 -9.882 5.256 -3.707 1.00 0.00 O ATOM 614 CB LEU A 38 -10.625 3.228 -1.014 1.00 0.00 C ATOM 615 CG LEU A 38 -10.453 4.268 0.100 1.00 0.00 C ATOM 616 CD1 LEU A 38 -9.153 4.040 0.857 1.00 0.00 C ATOM 617 CD2 LEU A 38 -10.505 5.681 -0.464 1.00 0.00 C ATOM 0 H LEU A 38 -8.405 5.001 -1.903 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.476 2.385 -2.622 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -11.655 3.270 -1.367 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -10.475 2.237 -0.585 1.00 0.00 H new ATOM 0 HG LEU A 38 -11.280 4.151 0.800 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.053 4.790 1.642 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -9.162 3.046 1.304 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.312 4.121 0.168 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -10.381 6.401 0.345 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.704 5.812 -1.192 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -11.467 5.844 -0.950 1.00 0.00 H new ATOM 929 N ALA A 58 -10.593 -6.905 6.187 1.00 0.00 N ATOM 930 CA ALA A 58 -9.282 -6.343 5.890 1.00 0.00 C ATOM 931 C ALA A 58 -8.215 -6.906 6.823 1.00 0.00 C ATOM 932 O ALA A 58 -7.180 -7.397 6.374 1.00 0.00 O ATOM 933 CB ALA A 58 -9.326 -4.825 5.991 1.00 0.00 C ATOM 0 HA ALA A 58 -9.017 -6.623 4.870 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -8.341 -4.417 5.767 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.052 -4.434 5.278 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.617 -4.536 7.001 1.00 0.00 H new ATOM 939 N SER A 59 -8.473 -6.829 8.125 1.00 0.00 N ATOM 940 CA SER A 59 -7.534 -7.331 9.122 1.00 0.00 C ATOM 941 C SER A 59 -7.326 -8.834 8.972 1.00 0.00 C ATOM 942 O SER A 59 -6.252 -9.355 9.272 1.00 0.00 O ATOM 943 CB SER A 59 -8.035 -7.011 10.532 1.00 0.00 C ATOM 944 OG SER A 59 -7.642 -5.708 10.930 1.00 0.00 O ATOM 0 H SER A 59 -9.324 -6.424 8.514 1.00 0.00 H new ATOM 0 HA SER A 59 -6.577 -6.835 8.962 1.00 0.00 H new ATOM 0 HB2 SER A 59 -9.122 -7.092 10.562 1.00 0.00 H new ATOM 0 HB3 SER A 59 -7.641 -7.744 11.236 1.00 0.00 H new ATOM 0 HG SER A 59 -7.976 -5.527 11.833 1.00 0.00 H new ATOM 950 N ALA A 60 -8.360 -9.528 8.510 1.00 0.00 N ATOM 951 CA ALA A 60 -8.290 -10.971 8.324 1.00 0.00 C ATOM 952 C ALA A 60 -7.269 -11.341 7.253 1.00 0.00 C ATOM 953 O ALA A 60 -6.653 -12.406 7.309 1.00 0.00 O ATOM 954 CB ALA A 60 -9.660 -11.524 7.960 1.00 0.00 C ATOM 0 H ALA A 60 -9.257 -9.113 8.257 1.00 0.00 H new ATOM 0 HA ALA A 60 -7.967 -11.416 9.265 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -9.592 -12.603 7.824 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -10.366 -11.303 8.760 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -10.004 -11.063 7.034 1.00 0.00 H new ATOM 960 N PHE A 61 -7.092 -10.455 6.278 1.00 0.00 N ATOM 961 CA PHE A 61 -6.143 -10.688 5.196 1.00 0.00 C ATOM 962 C PHE A 61 -4.707 -10.562 5.691 1.00 0.00 C ATOM 963 O PHE A 61 -3.842 -11.360 5.331 1.00 0.00 O ATOM 964 CB PHE A 61 -6.389 -9.700 4.053 1.00 0.00 C ATOM 965 CG PHE A 61 -5.699 -10.079 2.773 1.00 0.00 C ATOM 966 CD1 PHE A 61 -6.328 -10.895 1.847 1.00 0.00 C ATOM 967 CD2 PHE A 61 -4.422 -9.617 2.497 1.00 0.00 C ATOM 968 CE1 PHE A 61 -5.696 -11.246 0.668 1.00 0.00 C ATOM 969 CE2 PHE A 61 -3.785 -9.965 1.320 1.00 0.00 C ATOM 970 CZ PHE A 61 -4.423 -10.779 0.405 1.00 0.00 C ATOM 0 H PHE A 61 -7.594 -9.569 6.215 1.00 0.00 H new ATOM 0 HA PHE A 61 -6.292 -11.704 4.830 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -7.461 -9.628 3.871 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.050 -8.710 4.360 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -7.324 -11.261 2.048 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.919 -8.979 3.208 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -6.197 -11.884 -0.045 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -2.789 -9.600 1.116 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.927 -11.050 -0.515 1.00 0.00 H new ATOM 980 N THR A 62 -4.460 -9.554 6.521 1.00 0.00 N ATOM 981 CA THR A 62 -3.127 -9.321 7.068 1.00 0.00 C ATOM 982 C THR A 62 -2.811 -10.320 8.179 1.00 0.00 C ATOM 983 O THR A 62 -1.747 -10.940 8.187 1.00 0.00 O ATOM 984 CB THR A 62 -3.018 -7.894 7.606 1.00 0.00 C ATOM 985 OG1 THR A 62 -3.950 -7.680 8.651 1.00 0.00 O ATOM 986 CG2 THR A 62 -3.262 -6.835 6.552 1.00 0.00 C ATOM 0 H THR A 62 -5.165 -8.885 6.830 1.00 0.00 H new ATOM 0 HA THR A 62 -2.403 -9.457 6.265 1.00 0.00 H new ATOM 0 HB THR A 62 -1.993 -7.799 7.963 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.864 -6.762 8.983 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.169 -5.846 7.001 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.528 -6.941 5.753 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.265 -6.954 6.141 1.00 0.00 H new ATOM 994 N LYS A 63 -3.743 -10.468 9.112 1.00 0.00 N ATOM 995 CA LYS A 63 -3.571 -11.389 10.232 1.00 0.00 C ATOM 996 C LYS A 63 -3.233 -12.799 9.749 1.00 0.00 C ATOM 997 O LYS A 63 -2.683 -13.603 10.499 1.00 0.00 O ATOM 998 CB LYS A 63 -4.840 -11.424 11.086 1.00 0.00 C ATOM 999 CG LYS A 63 -4.575 -11.687 12.560 1.00 0.00 C ATOM 1000 CD LYS A 63 -5.020 -13.083 12.969 1.00 0.00 C ATOM 1001 CE LYS A 63 -3.867 -14.073 12.930 1.00 0.00 C ATOM 1002 NZ LYS A 63 -3.821 -14.921 14.154 1.00 0.00 N ATOM 0 H LYS A 63 -4.628 -9.961 9.116 1.00 0.00 H new ATOM 0 HA LYS A 63 -2.738 -11.028 10.835 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -5.363 -10.473 10.984 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.505 -12.197 10.702 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.511 -11.569 12.766 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.100 -10.946 13.163 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.439 -13.052 13.975 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.814 -13.422 12.303 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.965 -14.710 12.051 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.927 -13.531 12.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.021 -15.582 14.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.702 -14.316 14.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.708 -15.458 14.238 1.00 0.00 H new ATOM 1016 N LYS A 64 -3.568 -13.092 8.496 1.00 0.00 N ATOM 1017 CA LYS A 64 -3.300 -14.406 7.926 1.00 0.00 C ATOM 1018 C LYS A 64 -1.911 -14.464 7.295 1.00 0.00 C ATOM 1019 O LYS A 64 -1.069 -15.267 7.697 1.00 0.00 O ATOM 1020 CB LYS A 64 -4.362 -14.756 6.882 1.00 0.00 C ATOM 1021 CG LYS A 64 -4.887 -16.178 7.001 1.00 0.00 C ATOM 1022 CD LYS A 64 -3.816 -17.198 6.655 1.00 0.00 C ATOM 1023 CE LYS A 64 -3.707 -17.402 5.152 1.00 0.00 C ATOM 1024 NZ LYS A 64 -3.397 -18.818 4.805 1.00 0.00 N ATOM 0 H LYS A 64 -4.024 -12.439 7.859 1.00 0.00 H new ATOM 0 HA LYS A 64 -3.336 -15.135 8.735 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.196 -14.061 6.977 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -3.941 -14.615 5.886 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -5.242 -16.352 8.017 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -5.742 -16.308 6.338 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -2.855 -16.867 7.049 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -4.047 -18.148 7.137 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.643 -17.108 4.677 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.929 -16.752 4.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.331 -18.916 3.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.491 -19.091 5.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -4.152 -19.437 5.164 1.00 0.00 H new ATOM 1038 N MET A 65 -1.685 -13.620 6.293 1.00 0.00 N ATOM 1039 CA MET A 65 -0.405 -13.588 5.593 1.00 0.00 C ATOM 1040 C MET A 65 0.574 -12.608 6.239 1.00 0.00 C ATOM 1041 O MET A 65 1.712 -12.963 6.530 1.00 0.00 O ATOM 1042 CB MET A 65 -0.615 -13.215 4.125 1.00 0.00 C ATOM 1043 CG MET A 65 -1.176 -14.351 3.284 1.00 0.00 C ATOM 1044 SD MET A 65 -0.512 -14.366 1.608 1.00 0.00 S ATOM 1045 CE MET A 65 -1.170 -12.829 0.968 1.00 0.00 C ATOM 0 H MET A 65 -2.371 -12.949 5.947 1.00 0.00 H new ATOM 0 HA MET A 65 0.028 -14.586 5.660 1.00 0.00 H new ATOM 0 HB2 MET A 65 -1.292 -12.363 4.068 1.00 0.00 H new ATOM 0 HB3 MET A 65 0.336 -12.895 3.700 1.00 0.00 H new ATOM 0 HG2 MET A 65 -0.952 -15.302 3.768 1.00 0.00 H new ATOM 0 HG3 MET A 65 -2.262 -14.264 3.240 1.00 0.00 H new ATOM 0 HE1 MET A 65 -0.875 -12.713 -0.075 1.00 0.00 H new ATOM 0 HE2 MET A 65 -2.258 -12.842 1.038 1.00 0.00 H new ATOM 0 HE3 MET A 65 -0.779 -11.995 1.551 1.00 0.00 H new ATOM 1055 N TRP A 66 0.134 -11.371 6.441 1.00 0.00 N ATOM 1056 CA TRP A 66 0.991 -10.347 7.030 1.00 0.00 C ATOM 1057 C TRP A 66 1.466 -10.741 8.429 1.00 0.00 C ATOM 1058 O TRP A 66 2.571 -10.385 8.839 1.00 0.00 O ATOM 1059 CB TRP A 66 0.258 -9.000 7.080 1.00 0.00 C ATOM 1060 CG TRP A 66 0.966 -7.960 7.895 1.00 0.00 C ATOM 1061 CD1 TRP A 66 1.939 -7.103 7.468 1.00 0.00 C ATOM 1062 CD2 TRP A 66 0.753 -7.669 9.280 1.00 0.00 C ATOM 1063 NE1 TRP A 66 2.345 -6.296 8.506 1.00 0.00 N ATOM 1064 CE2 TRP A 66 1.631 -6.626 9.628 1.00 0.00 C ATOM 1065 CE3 TRP A 66 -0.097 -8.192 10.259 1.00 0.00 C ATOM 1066 CZ2 TRP A 66 1.681 -6.096 10.917 1.00 0.00 C ATOM 1067 CZ3 TRP A 66 -0.045 -7.665 11.536 1.00 0.00 C ATOM 1068 CH2 TRP A 66 0.839 -6.627 11.855 1.00 0.00 C ATOM 0 H TRP A 66 -0.807 -11.053 6.207 1.00 0.00 H new ATOM 0 HA TRP A 66 1.872 -10.252 6.395 1.00 0.00 H new ATOM 0 HB2 TRP A 66 0.130 -8.628 6.064 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -0.740 -9.154 7.491 1.00 0.00 H new ATOM 0 HD1 TRP A 66 2.332 -7.064 6.463 1.00 0.00 H new ATOM 0 HE1 TRP A 66 3.060 -5.571 8.449 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -0.782 -8.993 10.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 2.361 -5.294 11.166 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -0.697 -8.061 12.301 1.00 0.00 H new ATOM 0 HH2 TRP A 66 0.856 -6.238 12.862 1.00 0.00 H new ATOM 1079 N GLU A 67 0.627 -11.462 9.163 1.00 0.00 N ATOM 1080 CA GLU A 67 0.971 -11.882 10.518 1.00 0.00 C ATOM 1081 C GLU A 67 1.992 -13.016 10.514 1.00 0.00 C ATOM 1082 O GLU A 67 3.002 -12.955 11.213 1.00 0.00 O ATOM 1083 CB GLU A 67 -0.286 -12.318 11.273 1.00 0.00 C ATOM 1084 CG GLU A 67 -0.384 -11.741 12.676 1.00 0.00 C ATOM 1085 CD GLU A 67 -0.384 -12.811 13.750 1.00 0.00 C ATOM 1086 OE1 GLU A 67 -0.819 -13.946 13.457 1.00 0.00 O ATOM 1087 OE2 GLU A 67 0.049 -12.516 14.882 1.00 0.00 O ATOM 0 H GLU A 67 -0.293 -11.768 8.845 1.00 0.00 H new ATOM 0 HA GLU A 67 1.420 -11.027 11.023 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -1.165 -12.017 10.703 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.304 -13.406 11.335 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.452 -11.063 12.845 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.296 -11.149 12.758 1.00 0.00 H new ATOM 1094 N ASN A 68 1.717 -14.056 9.733 1.00 0.00 N ATOM 1095 CA ASN A 68 2.614 -15.206 9.657 1.00 0.00 C ATOM 1096 C ASN A 68 3.802 -14.927 8.740 1.00 0.00 C ATOM 1097 O ASN A 68 4.884 -15.486 8.925 1.00 0.00 O ATOM 1098 CB ASN A 68 1.850 -16.437 9.165 1.00 0.00 C ATOM 1099 CG ASN A 68 2.132 -17.668 10.004 1.00 0.00 C ATOM 1100 OD1 ASN A 68 2.070 -17.625 11.232 1.00 0.00 O ATOM 1101 ND2 ASN A 68 2.444 -18.777 9.341 1.00 0.00 N ATOM 0 H ASN A 68 0.885 -14.127 9.147 1.00 0.00 H new ATOM 0 HA ASN A 68 3.000 -15.397 10.658 1.00 0.00 H new ATOM 0 HB2 ASN A 68 0.780 -16.227 9.181 1.00 0.00 H new ATOM 0 HB3 ASN A 68 2.120 -16.638 8.128 1.00 0.00 H new ATOM 0 HD21 ASN A 68 2.643 -19.637 9.851 1.00 0.00 H new ATOM 0 HD22 ASN A 68 2.484 -18.768 8.322 1.00 0.00 H new ATOM 1108 N ALA A 69 3.597 -14.063 7.753 1.00 0.00 N ATOM 1109 CA ALA A 69 4.653 -13.709 6.810 1.00 0.00 C ATOM 1110 C ALA A 69 5.150 -12.286 7.046 1.00 0.00 C ATOM 1111 O ALA A 69 4.389 -11.415 7.463 1.00 0.00 O ATOM 1112 CB ALA A 69 4.157 -13.867 5.381 1.00 0.00 C ATOM 0 H ALA A 69 2.707 -13.593 7.584 1.00 0.00 H new ATOM 0 HA ALA A 69 5.491 -14.387 6.971 1.00 0.00 H new ATOM 0 HB1 ALA A 69 4.954 -13.600 4.687 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.860 -14.902 5.211 1.00 0.00 H new ATOM 0 HB3 ALA A 69 3.301 -13.213 5.219 1.00 0.00 H new ATOM 1118 N LYS A 70 6.430 -12.058 6.769 1.00 0.00 N ATOM 1119 CA LYS A 70 7.024 -10.737 6.946 1.00 0.00 C ATOM 1120 C LYS A 70 7.215 -10.041 5.600 1.00 0.00 C ATOM 1121 O LYS A 70 8.235 -10.220 4.938 1.00 0.00 O ATOM 1122 CB LYS A 70 8.367 -10.852 7.669 1.00 0.00 C ATOM 1123 CG LYS A 70 8.303 -11.670 8.948 1.00 0.00 C ATOM 1124 CD LYS A 70 7.721 -10.864 10.099 1.00 0.00 C ATOM 1125 CE LYS A 70 8.792 -10.467 11.100 1.00 0.00 C ATOM 1126 NZ LYS A 70 9.032 -11.534 12.111 1.00 0.00 N ATOM 0 H LYS A 70 7.074 -12.768 6.422 1.00 0.00 H new ATOM 0 HA LYS A 70 6.344 -10.138 7.551 1.00 0.00 H new ATOM 0 HB2 LYS A 70 9.095 -11.304 6.995 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.729 -9.852 7.906 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.695 -12.559 8.782 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.304 -12.012 9.212 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.237 -9.969 9.709 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.951 -11.450 10.602 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.721 -10.252 10.572 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.493 -9.549 11.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.770 -11.223 12.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.152 -11.721 12.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.342 -12.403 11.631 1.00 0.00 H new ATOM 1140 N LYS A 71 6.223 -9.250 5.202 1.00 0.00 N ATOM 1141 CA LYS A 71 6.280 -8.532 3.934 1.00 0.00 C ATOM 1142 C LYS A 71 5.708 -7.125 4.077 1.00 0.00 C ATOM 1143 O LYS A 71 4.492 -6.932 4.042 1.00 0.00 O ATOM 1144 CB LYS A 71 5.496 -9.297 2.873 1.00 0.00 C ATOM 1145 CG LYS A 71 4.067 -9.607 3.293 1.00 0.00 C ATOM 1146 CD LYS A 71 3.934 -11.030 3.814 1.00 0.00 C ATOM 1147 CE LYS A 71 3.207 -11.922 2.820 1.00 0.00 C ATOM 1148 NZ LYS A 71 1.817 -11.452 2.566 1.00 0.00 N ATOM 0 H LYS A 71 5.371 -9.090 5.739 1.00 0.00 H new ATOM 0 HA LYS A 71 7.324 -8.451 3.633 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.479 -8.714 1.952 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.013 -10.230 2.650 1.00 0.00 H new ATOM 0 HG2 LYS A 71 3.754 -8.905 4.066 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.398 -9.466 2.444 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.924 -11.439 4.015 1.00 0.00 H new ATOM 0 HD3 LYS A 71 3.394 -11.023 4.761 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.760 -11.945 1.881 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.181 -12.943 3.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.257 -12.228 2.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.385 -11.147 3.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.837 -10.652 1.901 1.00 0.00 H new ATOM 1162 N ILE A 72 6.582 -6.140 4.234 1.00 0.00 N ATOM 1163 CA ILE A 72 6.140 -4.760 4.377 1.00 0.00 C ATOM 1164 C ILE A 72 7.036 -3.798 3.610 1.00 0.00 C ATOM 1165 O ILE A 72 8.261 -3.849 3.713 1.00 0.00 O ATOM 1166 CB ILE A 72 6.079 -4.333 5.855 1.00 0.00 C ATOM 1167 CG1 ILE A 72 7.282 -4.890 6.630 1.00 0.00 C ATOM 1168 CG2 ILE A 72 4.766 -4.793 6.474 1.00 0.00 C ATOM 1169 CD1 ILE A 72 7.169 -6.362 6.970 1.00 0.00 C ATOM 0 H ILE A 72 7.593 -6.269 4.265 1.00 0.00 H new ATOM 0 HA ILE A 72 5.136 -4.715 3.956 1.00 0.00 H new ATOM 0 HB ILE A 72 6.124 -3.245 5.911 1.00 0.00 H new ATOM 0 HG12 ILE A 72 8.185 -4.732 6.041 1.00 0.00 H new ATOM 0 HG13 ILE A 72 7.401 -4.323 7.553 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.730 -4.487 7.520 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.932 -4.343 5.935 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.695 -5.879 6.411 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.057 -6.678 7.517 1.00 0.00 H new ATOM 0 HD12 ILE A 72 6.286 -6.526 7.587 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.083 -6.942 6.051 1.00 0.00 H new ATOM 1181 N GLU A 73 6.408 -2.918 2.839 1.00 0.00 N ATOM 1182 CA GLU A 73 7.134 -1.933 2.045 1.00 0.00 C ATOM 1183 C GLU A 73 6.199 -0.832 1.550 1.00 0.00 C ATOM 1184 O GLU A 73 4.996 -0.863 1.809 1.00 0.00 O ATOM 1185 CB GLU A 73 7.822 -2.612 0.859 1.00 0.00 C ATOM 1186 CG GLU A 73 9.324 -2.391 0.824 1.00 0.00 C ATOM 1187 CD GLU A 73 9.822 -1.965 -0.544 1.00 0.00 C ATOM 1188 OE1 GLU A 73 9.608 -0.793 -0.915 1.00 0.00 O ATOM 1189 OE2 GLU A 73 10.424 -2.806 -1.245 1.00 0.00 O ATOM 0 H GLU A 73 5.394 -2.866 2.746 1.00 0.00 H new ATOM 0 HA GLU A 73 7.892 -1.476 2.682 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.621 -3.683 0.896 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.386 -2.238 -0.067 1.00 0.00 H new ATOM 0 HG2 GLU A 73 9.592 -1.630 1.557 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.829 -3.310 1.120 1.00 0.00 H new ATOM 1196 N VAL A 74 6.760 0.136 0.830 1.00 0.00 N ATOM 1197 CA VAL A 74 5.976 1.244 0.291 1.00 0.00 C ATOM 1198 C VAL A 74 5.675 1.024 -1.188 1.00 0.00 C ATOM 1199 O VAL A 74 6.547 0.610 -1.951 1.00 0.00 O ATOM 1200 CB VAL A 74 6.709 2.588 0.462 1.00 0.00 C ATOM 1201 CG1 VAL A 74 5.795 3.745 0.092 1.00 0.00 C ATOM 1202 CG2 VAL A 74 7.221 2.738 1.888 1.00 0.00 C ATOM 0 H VAL A 74 7.754 0.176 0.606 1.00 0.00 H new ATOM 0 HA VAL A 74 5.042 1.279 0.852 1.00 0.00 H new ATOM 0 HB VAL A 74 7.566 2.603 -0.211 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.330 4.686 0.219 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.481 3.643 -0.947 1.00 0.00 H new ATOM 0 HG13 VAL A 74 4.917 3.736 0.738 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.736 3.693 1.991 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.381 2.702 2.582 1.00 0.00 H new ATOM 0 HG23 VAL A 74 7.913 1.926 2.113 1.00 0.00 H new ATOM 1212 N GLU A 75 4.435 1.291 -1.587 1.00 0.00 N ATOM 1213 CA GLU A 75 4.029 1.104 -2.978 1.00 0.00 C ATOM 1214 C GLU A 75 3.302 2.327 -3.539 1.00 0.00 C ATOM 1215 O GLU A 75 2.982 2.365 -4.728 1.00 0.00 O ATOM 1216 CB GLU A 75 3.135 -0.132 -3.101 1.00 0.00 C ATOM 1217 CG GLU A 75 3.543 -1.068 -4.228 1.00 0.00 C ATOM 1218 CD GLU A 75 3.317 -0.461 -5.600 1.00 0.00 C ATOM 1219 OE1 GLU A 75 4.053 0.481 -5.960 1.00 0.00 O ATOM 1220 OE2 GLU A 75 2.406 -0.931 -6.313 1.00 0.00 O ATOM 0 H GLU A 75 3.697 1.635 -0.972 1.00 0.00 H new ATOM 0 HA GLU A 75 4.937 0.965 -3.565 1.00 0.00 H new ATOM 0 HB2 GLU A 75 3.155 -0.680 -2.159 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.106 0.189 -3.261 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.596 -1.326 -4.118 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.977 -1.996 -4.148 1.00 0.00 H new ATOM 1227 N PHE A 76 3.026 3.322 -2.697 1.00 0.00 N ATOM 1228 CA PHE A 76 2.324 4.517 -3.152 1.00 0.00 C ATOM 1229 C PHE A 76 3.294 5.610 -3.593 1.00 0.00 C ATOM 1230 O PHE A 76 4.303 5.866 -2.939 1.00 0.00 O ATOM 1231 CB PHE A 76 1.403 5.042 -2.047 1.00 0.00 C ATOM 1232 CG PHE A 76 2.107 5.792 -0.942 1.00 0.00 C ATOM 1233 CD1 PHE A 76 2.657 7.046 -1.167 1.00 0.00 C ATOM 1234 CD2 PHE A 76 2.214 5.240 0.325 1.00 0.00 C ATOM 1235 CE1 PHE A 76 3.298 7.732 -0.153 1.00 0.00 C ATOM 1236 CE2 PHE A 76 2.853 5.923 1.344 1.00 0.00 C ATOM 1237 CZ PHE A 76 3.396 7.169 1.103 1.00 0.00 C ATOM 0 H PHE A 76 3.275 3.324 -1.708 1.00 0.00 H new ATOM 0 HA PHE A 76 1.724 4.238 -4.018 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.658 5.699 -2.496 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.865 4.200 -1.611 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.583 7.492 -2.148 1.00 0.00 H new ATOM 0 HD2 PHE A 76 1.793 4.264 0.519 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.722 8.707 -0.343 1.00 0.00 H new ATOM 0 HE2 PHE A 76 2.927 5.482 2.327 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.897 7.703 1.897 1.00 0.00 H new ATOM 1247 N ASP A 77 2.963 6.261 -4.705 1.00 0.00 N ATOM 1248 CA ASP A 77 3.783 7.344 -5.236 1.00 0.00 C ATOM 1249 C ASP A 77 3.126 8.692 -4.951 1.00 0.00 C ATOM 1250 O ASP A 77 2.302 9.169 -5.733 1.00 0.00 O ATOM 1251 CB ASP A 77 3.990 7.168 -6.742 1.00 0.00 C ATOM 1252 CG ASP A 77 2.680 7.118 -7.504 1.00 0.00 C ATOM 1253 OD1 ASP A 77 1.945 6.120 -7.355 1.00 0.00 O ATOM 1254 OD2 ASP A 77 2.390 8.078 -8.251 1.00 0.00 O ATOM 0 H ASP A 77 2.130 6.056 -5.257 1.00 0.00 H new ATOM 0 HA ASP A 77 4.755 7.315 -4.744 1.00 0.00 H new ATOM 0 HB2 ASP A 77 4.596 7.991 -7.121 1.00 0.00 H new ATOM 0 HB3 ASP A 77 4.548 6.250 -6.924 1.00 0.00 H new ATOM 1259 N LYS A 78 3.483 9.297 -3.825 1.00 0.00 N ATOM 1260 CA LYS A 78 2.914 10.584 -3.437 1.00 0.00 C ATOM 1261 C LYS A 78 3.565 11.729 -4.206 1.00 0.00 C ATOM 1262 O LYS A 78 2.944 12.332 -5.082 1.00 0.00 O ATOM 1263 CB LYS A 78 3.080 10.806 -1.932 1.00 0.00 C ATOM 1264 CG LYS A 78 2.429 12.085 -1.431 1.00 0.00 C ATOM 1265 CD LYS A 78 1.164 11.797 -0.639 1.00 0.00 C ATOM 1266 CE LYS A 78 0.607 13.057 0.004 1.00 0.00 C ATOM 1267 NZ LYS A 78 -0.470 13.673 -0.819 1.00 0.00 N ATOM 0 H LYS A 78 4.162 8.919 -3.165 1.00 0.00 H new ATOM 0 HA LYS A 78 1.852 10.568 -3.682 1.00 0.00 H new ATOM 0 HB2 LYS A 78 2.652 9.957 -1.398 1.00 0.00 H new ATOM 0 HB3 LYS A 78 4.143 10.831 -1.692 1.00 0.00 H new ATOM 0 HG2 LYS A 78 3.134 12.632 -0.805 1.00 0.00 H new ATOM 0 HG3 LYS A 78 2.190 12.728 -2.278 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.413 11.362 -1.298 1.00 0.00 H new ATOM 0 HD3 LYS A 78 1.378 11.058 0.133 1.00 0.00 H new ATOM 0 HE2 LYS A 78 0.216 12.817 0.993 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.412 13.778 0.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -0.822 14.529 -0.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -0.091 13.926 -1.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.250 12.995 -0.934 1.00 0.00 H new ATOM 1281 N GLY A 79 4.814 12.032 -3.870 1.00 0.00 N ATOM 1282 CA GLY A 79 5.519 13.111 -4.535 1.00 0.00 C ATOM 1283 C GLY A 79 5.433 14.414 -3.764 1.00 0.00 C ATOM 1284 O GLY A 79 6.325 15.258 -3.858 1.00 0.00 O ATOM 0 H GLY A 79 5.350 11.550 -3.149 1.00 0.00 H new ATOM 0 HA2 GLY A 79 6.566 12.835 -4.662 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.104 13.253 -5.533 1.00 0.00 H new ATOM 1288 N GLN A 80 4.359 14.575 -2.999 1.00 0.00 N ATOM 1289 CA GLN A 80 4.159 15.780 -2.204 1.00 0.00 C ATOM 1290 C GLN A 80 4.999 15.728 -0.931 1.00 0.00 C ATOM 1291 O GLN A 80 5.935 14.934 -0.829 1.00 0.00 O ATOM 1292 CB GLN A 80 2.675 15.941 -1.854 1.00 0.00 C ATOM 1293 CG GLN A 80 2.074 17.248 -2.348 1.00 0.00 C ATOM 1294 CD GLN A 80 1.109 17.049 -3.499 1.00 0.00 C ATOM 1295 OE1 GLN A 80 -0.105 16.995 -3.305 1.00 0.00 O ATOM 1296 NE2 GLN A 80 1.645 16.939 -4.709 1.00 0.00 N ATOM 0 H GLN A 80 3.613 13.885 -2.913 1.00 0.00 H new ATOM 0 HA GLN A 80 4.478 16.640 -2.792 1.00 0.00 H new ATOM 0 HB2 GLN A 80 2.116 15.109 -2.282 1.00 0.00 H new ATOM 0 HB3 GLN A 80 2.556 15.882 -0.772 1.00 0.00 H new ATOM 0 HG2 GLN A 80 1.555 17.739 -1.525 1.00 0.00 H new ATOM 0 HG3 GLN A 80 2.876 17.916 -2.663 1.00 0.00 H new ATOM 0 HE21 GLN A 80 2.657 16.989 -4.825 1.00 0.00 H new ATOM 0 HE22 GLN A 80 1.045 16.804 -5.522 1.00 0.00 H new ATOM 1305 N ARG A 81 4.665 16.578 0.035 1.00 0.00 N ATOM 1306 CA ARG A 81 5.398 16.620 1.296 1.00 0.00 C ATOM 1307 C ARG A 81 4.491 16.295 2.481 1.00 0.00 C ATOM 1308 O ARG A 81 4.824 16.598 3.625 1.00 0.00 O ATOM 1309 CB ARG A 81 6.038 17.996 1.488 1.00 0.00 C ATOM 1310 CG ARG A 81 7.529 18.020 1.190 1.00 0.00 C ATOM 1311 CD ARG A 81 8.090 19.431 1.257 1.00 0.00 C ATOM 1312 NE ARG A 81 9.339 19.487 2.015 1.00 0.00 N ATOM 1313 CZ ARG A 81 9.895 20.618 2.444 1.00 0.00 C ATOM 1314 NH1 ARG A 81 9.319 21.786 2.194 1.00 0.00 N ATOM 1315 NH2 ARG A 81 11.032 20.579 3.127 1.00 0.00 N ATOM 0 H ARG A 81 3.895 17.244 -0.030 1.00 0.00 H new ATOM 0 HA ARG A 81 6.180 15.861 1.253 1.00 0.00 H new ATOM 0 HB2 ARG A 81 5.535 18.715 0.841 1.00 0.00 H new ATOM 0 HB3 ARG A 81 5.876 18.323 2.515 1.00 0.00 H new ATOM 0 HG2 ARG A 81 8.054 17.385 1.904 1.00 0.00 H new ATOM 0 HG3 ARG A 81 7.709 17.603 0.199 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.262 19.801 0.246 1.00 0.00 H new ATOM 0 HD3 ARG A 81 7.356 20.092 1.718 1.00 0.00 H new ATOM 0 HE ARG A 81 9.812 18.609 2.227 1.00 0.00 H new ATOM 0 HH11 ARG A 81 8.445 21.822 1.670 1.00 0.00 H new ATOM 0 HH12 ARG A 81 9.750 22.649 2.526 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.479 19.683 3.323 1.00 0.00 H new ATOM 0 HH22 ARG A 81 11.459 21.445 3.456 1.00 0.00 H new ATOM 1329 N THR A 82 3.344 15.676 2.206 1.00 0.00 N ATOM 1330 CA THR A 82 2.408 15.317 3.267 1.00 0.00 C ATOM 1331 C THR A 82 2.380 13.807 3.484 1.00 0.00 C ATOM 1332 O THR A 82 2.040 13.044 2.579 1.00 0.00 O ATOM 1333 CB THR A 82 1.005 15.821 2.928 1.00 0.00 C ATOM 1334 OG1 THR A 82 0.670 15.507 1.587 1.00 0.00 O ATOM 1335 CG2 THR A 82 0.848 17.316 3.101 1.00 0.00 C ATOM 0 H THR A 82 3.043 15.415 1.267 1.00 0.00 H new ATOM 0 HA THR A 82 2.745 15.790 4.189 1.00 0.00 H new ATOM 0 HB THR A 82 0.340 15.318 3.630 1.00 0.00 H new ATOM 0 HG1 THR A 82 -0.221 15.100 1.559 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.170 17.607 2.844 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.052 17.586 4.137 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.549 17.834 2.447 1.00 0.00 H new ATOM 1343 N ASP A 83 2.721 13.387 4.698 1.00 0.00 N ATOM 1344 CA ASP A 83 2.718 11.975 5.057 1.00 0.00 C ATOM 1345 C ASP A 83 1.698 11.729 6.157 1.00 0.00 C ATOM 1346 O ASP A 83 0.829 10.869 6.041 1.00 0.00 O ATOM 1347 CB ASP A 83 4.109 11.533 5.518 1.00 0.00 C ATOM 1348 CG ASP A 83 5.220 12.133 4.678 1.00 0.00 C ATOM 1349 OD1 ASP A 83 5.288 11.819 3.471 1.00 0.00 O ATOM 1350 OD2 ASP A 83 6.023 12.918 5.226 1.00 0.00 O ATOM 0 H ASP A 83 3.005 14.010 5.454 1.00 0.00 H new ATOM 0 HA ASP A 83 2.447 11.390 4.178 1.00 0.00 H new ATOM 0 HB2 ASP A 83 4.251 11.820 6.560 1.00 0.00 H new ATOM 0 HB3 ASP A 83 4.173 10.446 5.476 1.00 0.00 H new ATOM 1355 N LYS A 84 1.812 12.521 7.219 1.00 0.00 N ATOM 1356 CA LYS A 84 0.903 12.443 8.353 1.00 0.00 C ATOM 1357 C LYS A 84 0.037 13.697 8.404 1.00 0.00 C ATOM 1358 O LYS A 84 -1.123 13.656 8.813 1.00 0.00 O ATOM 1359 CB LYS A 84 1.687 12.288 9.658 1.00 0.00 C ATOM 1360 CG LYS A 84 2.370 10.936 9.799 1.00 0.00 C ATOM 1361 CD LYS A 84 3.490 10.979 10.829 1.00 0.00 C ATOM 1362 CE LYS A 84 3.168 10.118 12.040 1.00 0.00 C ATOM 1363 NZ LYS A 84 3.624 10.751 13.309 1.00 0.00 N ATOM 0 H LYS A 84 2.536 13.233 7.316 1.00 0.00 H new ATOM 0 HA LYS A 84 0.262 11.570 8.232 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.440 13.074 9.716 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.009 12.433 10.499 1.00 0.00 H new ATOM 0 HG2 LYS A 84 1.635 10.185 10.090 1.00 0.00 H new ATOM 0 HG3 LYS A 84 2.774 10.629 8.834 1.00 0.00 H new ATOM 0 HD2 LYS A 84 4.418 10.635 10.373 1.00 0.00 H new ATOM 0 HD3 LYS A 84 3.654 12.009 11.147 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.093 9.945 12.087 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.643 9.143 11.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.386 10.133 14.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 4.654 10.893 13.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.151 11.670 13.428 1.00 0.00 H new ATOM 1377 N TYR A 85 0.626 14.813 7.977 1.00 0.00 N ATOM 1378 CA TYR A 85 -0.055 16.102 7.955 1.00 0.00 C ATOM 1379 C TYR A 85 -0.815 16.294 6.644 1.00 0.00 C ATOM 1380 O TYR A 85 -0.719 17.344 6.009 1.00 0.00 O ATOM 1381 CB TYR A 85 0.955 17.236 8.147 1.00 0.00 C ATOM 1382 CG TYR A 85 1.410 17.405 9.578 1.00 0.00 C ATOM 1383 CD1 TYR A 85 2.361 16.555 10.130 1.00 0.00 C ATOM 1384 CD2 TYR A 85 0.889 18.414 10.379 1.00 0.00 C ATOM 1385 CE1 TYR A 85 2.779 16.706 11.438 1.00 0.00 C ATOM 1386 CE2 TYR A 85 1.302 18.571 11.688 1.00 0.00 C ATOM 1387 CZ TYR A 85 2.247 17.714 12.213 1.00 0.00 C ATOM 1388 OH TYR A 85 2.661 17.869 13.516 1.00 0.00 O ATOM 0 H TYR A 85 1.587 14.847 7.638 1.00 0.00 H new ATOM 0 HA TYR A 85 -0.774 16.122 8.774 1.00 0.00 H new ATOM 0 HB2 TYR A 85 1.825 17.047 7.518 1.00 0.00 H new ATOM 0 HB3 TYR A 85 0.510 18.170 7.803 1.00 0.00 H new ATOM 0 HD1 TYR A 85 2.780 15.763 9.526 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.149 19.087 9.971 1.00 0.00 H new ATOM 0 HE1 TYR A 85 3.519 16.037 11.851 1.00 0.00 H new ATOM 0 HE2 TYR A 85 0.887 19.361 12.297 1.00 0.00 H new ATOM 0 HH TYR A 85 2.189 18.626 13.921 1.00 0.00 H new ATOM 1398 N GLY A 86 -1.553 15.268 6.236 1.00 0.00 N ATOM 1399 CA GLY A 86 -2.299 15.334 5.000 1.00 0.00 C ATOM 1400 C GLY A 86 -2.053 14.120 4.138 1.00 0.00 C ATOM 1401 O GLY A 86 -1.866 14.226 2.927 1.00 0.00 O ATOM 0 H GLY A 86 -1.646 14.389 6.744 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -3.363 15.415 5.221 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.018 16.233 4.452 1.00 0.00 H new ATOM 1405 N ARG A 87 -2.067 12.957 4.780 1.00 0.00 N ATOM 1406 CA ARG A 87 -1.860 11.694 4.093 1.00 0.00 C ATOM 1407 C ARG A 87 -2.896 11.517 2.995 1.00 0.00 C ATOM 1408 O ARG A 87 -4.088 11.744 3.202 1.00 0.00 O ATOM 1409 CB ARG A 87 -1.958 10.531 5.083 1.00 0.00 C ATOM 1410 CG ARG A 87 -3.286 10.470 5.824 1.00 0.00 C ATOM 1411 CD ARG A 87 -3.155 10.991 7.245 1.00 0.00 C ATOM 1412 NE ARG A 87 -2.925 9.914 8.206 1.00 0.00 N ATOM 1413 CZ ARG A 87 -2.983 10.072 9.526 1.00 0.00 C ATOM 1414 NH1 ARG A 87 -3.264 11.261 10.046 1.00 0.00 N ATOM 1415 NH2 ARG A 87 -2.761 9.040 10.328 1.00 0.00 N ATOM 0 H ARG A 87 -2.221 12.866 5.784 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.865 11.702 3.648 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -1.808 9.594 4.546 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -1.150 10.615 5.810 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.031 11.058 5.287 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -3.646 9.441 5.844 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -2.331 11.703 7.295 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -4.061 11.532 7.517 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.707 8.986 7.843 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -3.436 12.058 9.433 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -3.307 11.378 11.058 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -2.546 8.124 9.933 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -2.806 9.162 11.340 1.00 0.00 H new ATOM 1429 N GLY A 88 -2.427 11.128 1.823 1.00 0.00 N ATOM 1430 CA GLY A 88 -3.320 10.939 0.692 1.00 0.00 C ATOM 1431 C GLY A 88 -3.139 9.603 -0.007 1.00 0.00 C ATOM 1432 O GLY A 88 -4.107 9.016 -0.490 1.00 0.00 O ATOM 0 H GLY A 88 -1.444 10.938 1.629 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -4.351 11.023 1.035 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -3.157 11.741 -0.027 1.00 0.00 H new ATOM 1436 N LEU A 89 -1.900 9.128 -0.078 1.00 0.00 N ATOM 1437 CA LEU A 89 -1.604 7.862 -0.743 1.00 0.00 C ATOM 1438 C LEU A 89 -1.358 6.740 0.268 1.00 0.00 C ATOM 1439 O LEU A 89 -0.872 6.982 1.373 1.00 0.00 O ATOM 1440 CB LEU A 89 -0.397 8.031 -1.664 1.00 0.00 C ATOM 1441 CG LEU A 89 -0.740 8.262 -3.137 1.00 0.00 C ATOM 1442 CD1 LEU A 89 -0.853 9.750 -3.433 1.00 0.00 C ATOM 1443 CD2 LEU A 89 0.301 7.612 -4.038 1.00 0.00 C ATOM 0 H LEU A 89 -1.085 9.599 0.316 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.472 7.579 -1.338 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.199 8.872 -1.308 1.00 0.00 H new ATOM 0 HB3 LEU A 89 0.229 7.142 -1.586 1.00 0.00 H new ATOM 0 HG LEU A 89 -1.705 7.799 -3.341 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.097 9.894 -4.485 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.638 10.185 -2.815 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.096 10.238 -3.211 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.039 7.787 -5.082 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.281 8.043 -3.832 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.329 6.539 -3.846 1.00 0.00 H new ATOM 1455 N ALA A 90 -1.716 5.513 -0.115 1.00 0.00 N ATOM 1456 CA ALA A 90 -1.554 4.352 0.762 1.00 0.00 C ATOM 1457 C ALA A 90 -0.615 3.304 0.173 1.00 0.00 C ATOM 1458 O ALA A 90 -0.569 3.104 -1.040 1.00 0.00 O ATOM 1459 CB ALA A 90 -2.904 3.718 1.033 1.00 0.00 C ATOM 0 H ALA A 90 -2.120 5.298 -1.027 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.110 4.711 1.690 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.776 2.855 1.686 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -3.557 4.445 1.516 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.351 3.398 0.092 1.00 0.00 H new ATOM 1465 N TYR A 91 0.109 2.618 1.052 1.00 0.00 N ATOM 1466 CA TYR A 91 1.035 1.567 0.638 1.00 0.00 C ATOM 1467 C TYR A 91 0.598 0.209 1.178 1.00 0.00 C ATOM 1468 O TYR A 91 0.068 0.111 2.285 1.00 0.00 O ATOM 1469 CB TYR A 91 2.456 1.874 1.122 1.00 0.00 C ATOM 1470 CG TYR A 91 2.557 2.121 2.612 1.00 0.00 C ATOM 1471 CD1 TYR A 91 2.082 3.297 3.177 1.00 0.00 C ATOM 1472 CD2 TYR A 91 3.131 1.174 3.451 1.00 0.00 C ATOM 1473 CE1 TYR A 91 2.176 3.524 4.537 1.00 0.00 C ATOM 1474 CE2 TYR A 91 3.228 1.393 4.812 1.00 0.00 C ATOM 1475 CZ TYR A 91 2.749 2.569 5.350 1.00 0.00 C ATOM 1476 OH TYR A 91 2.845 2.791 6.705 1.00 0.00 O ATOM 0 H TYR A 91 0.072 2.771 2.060 1.00 0.00 H new ATOM 0 HA TYR A 91 1.027 1.533 -0.451 1.00 0.00 H new ATOM 0 HB2 TYR A 91 3.107 1.041 0.857 1.00 0.00 H new ATOM 0 HB3 TYR A 91 2.828 2.751 0.592 1.00 0.00 H new ATOM 0 HD1 TYR A 91 1.632 4.047 2.543 1.00 0.00 H new ATOM 0 HD2 TYR A 91 3.507 0.252 3.033 1.00 0.00 H new ATOM 0 HE1 TYR A 91 1.803 4.445 4.961 1.00 0.00 H new ATOM 0 HE2 TYR A 91 3.677 0.647 5.451 1.00 0.00 H new ATOM 0 HH TYR A 91 1.949 2.791 7.101 1.00 0.00 H new ATOM 1486 N ILE A 92 0.829 -0.836 0.392 1.00 0.00 N ATOM 1487 CA ILE A 92 0.469 -2.191 0.790 1.00 0.00 C ATOM 1488 C ILE A 92 1.418 -3.211 0.165 1.00 0.00 C ATOM 1489 O ILE A 92 1.440 -3.385 -1.054 1.00 0.00 O ATOM 1490 CB ILE A 92 -0.982 -2.531 0.389 1.00 0.00 C ATOM 1491 CG1 ILE A 92 -1.370 -3.919 0.908 1.00 0.00 C ATOM 1492 CG2 ILE A 92 -1.149 -2.455 -1.121 1.00 0.00 C ATOM 1493 CD1 ILE A 92 -2.721 -3.956 1.589 1.00 0.00 C ATOM 0 H ILE A 92 1.265 -0.770 -0.528 1.00 0.00 H new ATOM 0 HA ILE A 92 0.552 -2.239 1.876 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.648 -1.797 0.844 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.373 -4.621 0.074 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -0.609 -4.261 1.610 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.178 -2.698 -1.386 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -0.914 -1.447 -1.463 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -0.474 -3.166 -1.598 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.929 -4.970 1.930 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -2.716 -3.279 2.443 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.492 -3.645 0.884 1.00 0.00 H new ATOM 1505 N TYR A 93 2.204 -3.878 1.005 1.00 0.00 N ATOM 1506 CA TYR A 93 3.157 -4.873 0.527 1.00 0.00 C ATOM 1507 C TYR A 93 2.703 -6.284 0.881 1.00 0.00 C ATOM 1508 O TYR A 93 2.478 -6.605 2.048 1.00 0.00 O ATOM 1509 CB TYR A 93 4.539 -4.604 1.121 1.00 0.00 C ATOM 1510 CG TYR A 93 5.677 -5.137 0.281 1.00 0.00 C ATOM 1511 CD1 TYR A 93 5.951 -4.602 -0.972 1.00 0.00 C ATOM 1512 CD2 TYR A 93 6.478 -6.175 0.742 1.00 0.00 C ATOM 1513 CE1 TYR A 93 6.992 -5.086 -1.742 1.00 0.00 C ATOM 1514 CE2 TYR A 93 7.521 -6.663 -0.022 1.00 0.00 C ATOM 1515 CZ TYR A 93 7.773 -6.116 -1.263 1.00 0.00 C ATOM 1516 OH TYR A 93 8.812 -6.599 -2.025 1.00 0.00 O ATOM 0 H TYR A 93 2.200 -3.748 2.017 1.00 0.00 H new ATOM 0 HA TYR A 93 3.211 -4.796 -0.559 1.00 0.00 H new ATOM 0 HB2 TYR A 93 4.666 -3.529 1.249 1.00 0.00 H new ATOM 0 HB3 TYR A 93 4.591 -5.052 2.113 1.00 0.00 H new ATOM 0 HD1 TYR A 93 5.341 -3.795 -1.350 1.00 0.00 H new ATOM 0 HD2 TYR A 93 6.282 -6.607 1.712 1.00 0.00 H new ATOM 0 HE1 TYR A 93 7.192 -4.659 -2.714 1.00 0.00 H new ATOM 0 HE2 TYR A 93 8.136 -7.469 0.351 1.00 0.00 H new ATOM 0 HH TYR A 93 9.263 -7.323 -1.542 1.00 0.00 H new ATOM 1526 N ALA A 94 2.574 -7.124 -0.140 1.00 0.00 N ATOM 1527 CA ALA A 94 2.150 -8.506 0.049 1.00 0.00 C ATOM 1528 C ALA A 94 3.030 -9.466 -0.747 1.00 0.00 C ATOM 1529 O ALA A 94 2.755 -9.756 -1.911 1.00 0.00 O ATOM 1530 CB ALA A 94 0.691 -8.667 -0.356 1.00 0.00 C ATOM 0 H ALA A 94 2.758 -6.870 -1.111 1.00 0.00 H new ATOM 0 HA ALA A 94 2.255 -8.752 1.106 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.385 -9.703 -0.211 1.00 0.00 H new ATOM 0 HB2 ALA A 94 0.069 -8.016 0.258 1.00 0.00 H new ATOM 0 HB3 ALA A 94 0.573 -8.398 -1.406 1.00 0.00 H new ATOM 1536 N ASP A 95 4.085 -9.962 -0.106 1.00 0.00 N ATOM 1537 CA ASP A 95 5.007 -10.897 -0.742 1.00 0.00 C ATOM 1538 C ASP A 95 5.480 -10.380 -2.101 1.00 0.00 C ATOM 1539 O ASP A 95 5.300 -11.039 -3.125 1.00 0.00 O ATOM 1540 CB ASP A 95 4.345 -12.266 -0.900 1.00 0.00 C ATOM 1541 CG ASP A 95 5.284 -13.301 -1.489 1.00 0.00 C ATOM 1542 OD1 ASP A 95 6.341 -13.560 -0.877 1.00 0.00 O ATOM 1543 OD2 ASP A 95 4.963 -13.851 -2.564 1.00 0.00 O ATOM 0 H ASP A 95 4.323 -9.730 0.858 1.00 0.00 H new ATOM 0 HA ASP A 95 5.881 -10.994 -0.098 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.994 -12.611 0.073 1.00 0.00 H new ATOM 0 HB3 ASP A 95 3.468 -12.170 -1.540 1.00 0.00 H new ATOM 1548 N GLY A 96 6.090 -9.199 -2.100 1.00 0.00 N ATOM 1549 CA GLY A 96 6.583 -8.618 -3.335 1.00 0.00 C ATOM 1550 C GLY A 96 5.493 -7.937 -4.139 1.00 0.00 C ATOM 1551 O GLY A 96 5.552 -6.732 -4.384 1.00 0.00 O ATOM 0 H GLY A 96 6.252 -8.634 -1.266 1.00 0.00 H new ATOM 0 HA2 GLY A 96 7.364 -7.894 -3.104 1.00 0.00 H new ATOM 0 HA3 GLY A 96 7.041 -9.399 -3.941 1.00 0.00 H new