USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 595 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 SER OG : rot 29:sc= 0.0424 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -26:sc= 0.193 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.0503 X(o=-0.05,f=-0.037) USER MOD Single : A 30 ASN : amide:sc= -1.14 K(o=-1.1,f=-7.2!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc=-0.00716 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 166:sc= 1.22 (180deg=1.19) USER MOD Single : A 79 THR OG1 : rot -32:sc= 0.31 USER MOD Single : A 81 CYS SG : rot 180:sc= -1.34 USER MOD Single : A 86 MET CE :methyl -116:sc= -0.331 (180deg=-0.744) USER MOD Single : A 87 THR OG1 : rot 86:sc= 0.86 USER MOD Single : A 104 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0501) USER MOD Single : A 106 LYS NZ :NH3+ -163:sc= 0.205 (180deg=-0.222) USER MOD ----------------------------------------------------------------- ATOM 58 N GLY A 5 -13.957 -26.889 28.657 1.00 0.00 N ATOM 59 CA GLY A 5 -14.457 -26.479 27.356 1.00 0.00 C ATOM 60 C GLY A 5 -15.926 -26.787 27.202 1.00 0.00 C ATOM 61 O GLY A 5 -16.709 -25.945 26.765 1.00 0.00 O ATOM 0 HA2 GLY A 5 -14.293 -25.410 27.223 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -13.894 -26.987 26.573 1.00 0.00 H new ATOM 65 N SER A 6 -16.304 -27.991 27.571 1.00 0.00 N ATOM 66 CA SER A 6 -17.682 -28.399 27.513 1.00 0.00 C ATOM 67 C SER A 6 -18.339 -28.193 28.866 1.00 0.00 C ATOM 68 O SER A 6 -17.777 -28.565 29.901 1.00 0.00 O ATOM 69 CB SER A 6 -17.773 -29.863 27.090 1.00 0.00 C ATOM 70 OG SER A 6 -16.883 -30.666 27.857 1.00 0.00 O ATOM 0 H SER A 6 -15.666 -28.708 27.917 1.00 0.00 H new ATOM 0 HA SER A 6 -18.207 -27.791 26.776 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.795 -30.221 27.218 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.533 -29.956 26.031 1.00 0.00 H new ATOM 0 HG SER A 6 -16.754 -30.260 28.740 1.00 0.00 H new ATOM 76 N LEU A 7 -19.509 -27.602 28.862 1.00 0.00 N ATOM 77 CA LEU A 7 -20.225 -27.334 30.090 1.00 0.00 C ATOM 78 C LEU A 7 -21.486 -28.144 30.199 1.00 0.00 C ATOM 79 O LEU A 7 -22.201 -28.348 29.211 1.00 0.00 O ATOM 80 CB LEU A 7 -20.563 -25.848 30.219 1.00 0.00 C ATOM 81 CG LEU A 7 -19.401 -24.930 30.571 1.00 0.00 C ATOM 82 CD1 LEU A 7 -19.826 -23.472 30.473 1.00 0.00 C ATOM 83 CD2 LEU A 7 -18.909 -25.243 31.976 1.00 0.00 C ATOM 0 H LEU A 7 -19.990 -27.295 28.017 1.00 0.00 H new ATOM 0 HA LEU A 7 -19.561 -27.625 30.904 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -20.995 -25.510 29.277 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -21.334 -25.735 30.982 1.00 0.00 H new ATOM 0 HG LEU A 7 -18.590 -25.098 29.863 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -18.983 -22.829 30.728 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -20.153 -23.256 29.456 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -20.647 -23.285 31.165 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -18.077 -24.584 32.225 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -19.720 -25.089 32.688 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -18.577 -26.280 32.023 1.00 0.00 H new ATOM 95 N LYS A 8 -21.740 -28.621 31.401 1.00 0.00 N ATOM 96 CA LYS A 8 -22.970 -29.294 31.710 1.00 0.00 C ATOM 97 C LYS A 8 -24.002 -28.230 32.022 1.00 0.00 C ATOM 98 O LYS A 8 -23.901 -27.528 33.029 1.00 0.00 O ATOM 99 CB LYS A 8 -22.773 -30.222 32.904 1.00 0.00 C ATOM 100 CG LYS A 8 -24.022 -30.964 33.328 1.00 0.00 C ATOM 101 CD LYS A 8 -23.732 -31.866 34.504 1.00 0.00 C ATOM 102 CE LYS A 8 -24.973 -32.618 34.941 1.00 0.00 C ATOM 103 NZ LYS A 8 -24.713 -33.507 36.095 1.00 0.00 N ATOM 0 H LYS A 8 -21.094 -28.549 32.187 1.00 0.00 H new ATOM 0 HA LYS A 8 -23.301 -29.905 30.870 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -21.998 -30.949 32.661 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -22.408 -29.637 33.748 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -24.802 -30.251 33.594 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -24.401 -31.555 32.494 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -22.950 -32.576 34.236 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -23.352 -31.272 35.336 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -25.754 -31.904 35.203 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -25.349 -33.210 34.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -25.590 -34.000 36.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -23.987 -34.206 35.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -24.379 -32.941 36.901 1.00 0.00 H new ATOM 117 N VAL A 9 -24.969 -28.102 31.159 1.00 0.00 N ATOM 118 CA VAL A 9 -25.930 -27.036 31.250 1.00 0.00 C ATOM 119 C VAL A 9 -27.319 -27.577 31.570 1.00 0.00 C ATOM 120 O VAL A 9 -27.808 -28.492 30.913 1.00 0.00 O ATOM 121 CB VAL A 9 -25.937 -26.260 29.912 1.00 0.00 C ATOM 122 CG1 VAL A 9 -26.885 -25.089 29.917 1.00 0.00 C ATOM 123 CG2 VAL A 9 -24.542 -25.792 29.589 1.00 0.00 C ATOM 0 H VAL A 9 -25.115 -28.733 30.371 1.00 0.00 H new ATOM 0 HA VAL A 9 -25.651 -26.364 32.062 1.00 0.00 H new ATOM 0 HB VAL A 9 -26.291 -26.948 29.144 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -26.845 -24.585 28.952 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -27.900 -25.443 30.100 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -26.597 -24.391 30.703 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -24.551 -25.246 28.646 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -24.185 -25.138 30.384 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -23.880 -26.654 29.503 1.00 0.00 H new ATOM 133 N TYR A 10 -27.937 -27.010 32.592 1.00 0.00 N ATOM 134 CA TYR A 10 -29.255 -27.439 33.033 1.00 0.00 C ATOM 135 C TYR A 10 -30.357 -26.571 32.426 1.00 0.00 C ATOM 136 O TYR A 10 -30.342 -25.344 32.542 1.00 0.00 O ATOM 137 CB TYR A 10 -29.310 -27.462 34.579 1.00 0.00 C ATOM 138 CG TYR A 10 -30.698 -27.599 35.185 1.00 0.00 C ATOM 139 CD1 TYR A 10 -31.354 -28.822 35.218 1.00 0.00 C ATOM 140 CD2 TYR A 10 -31.331 -26.502 35.759 1.00 0.00 C ATOM 141 CE1 TYR A 10 -32.607 -28.945 35.795 1.00 0.00 C ATOM 142 CE2 TYR A 10 -32.579 -26.610 36.339 1.00 0.00 C ATOM 143 CZ TYR A 10 -33.215 -27.833 36.355 1.00 0.00 C ATOM 144 OH TYR A 10 -34.464 -27.949 36.926 1.00 0.00 O ATOM 0 H TYR A 10 -27.543 -26.243 33.137 1.00 0.00 H new ATOM 0 HA TYR A 10 -29.434 -28.453 32.676 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -28.695 -28.289 34.934 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -28.858 -26.544 34.955 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -30.880 -29.691 34.787 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -30.835 -25.543 35.751 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -33.107 -29.902 35.808 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -33.053 -25.744 36.776 1.00 0.00 H new ATOM 0 HH TYR A 10 -34.747 -27.077 37.273 1.00 0.00 H new ATOM 154 N GLY A 11 -31.300 -27.226 31.765 1.00 0.00 N ATOM 155 CA GLY A 11 -32.392 -26.531 31.121 1.00 0.00 C ATOM 156 C GLY A 11 -33.722 -27.222 31.343 1.00 0.00 C ATOM 157 O GLY A 11 -34.616 -27.134 30.507 1.00 0.00 O ATOM 0 H GLY A 11 -31.326 -28.241 31.663 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -32.446 -25.511 31.502 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -32.195 -26.461 30.051 1.00 0.00 H new ATOM 161 N GLY A 12 -33.848 -27.905 32.477 1.00 0.00 N ATOM 162 CA GLY A 12 -35.075 -28.631 32.791 1.00 0.00 C ATOM 163 C GLY A 12 -36.297 -27.730 32.857 1.00 0.00 C ATOM 164 O GLY A 12 -37.388 -28.121 32.444 1.00 0.00 O ATOM 0 H GLY A 12 -33.121 -27.971 33.190 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -35.238 -29.401 32.037 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -34.954 -29.141 33.747 1.00 0.00 H new ATOM 168 N GLU A 13 -36.112 -26.512 33.355 1.00 0.00 N ATOM 169 CA GLU A 13 -37.213 -25.561 33.447 1.00 0.00 C ATOM 170 C GLU A 13 -37.495 -24.931 32.080 1.00 0.00 C ATOM 171 O GLU A 13 -38.457 -24.180 31.910 1.00 0.00 O ATOM 172 CB GLU A 13 -36.914 -24.474 34.485 1.00 0.00 C ATOM 173 CG GLU A 13 -36.740 -25.003 35.905 1.00 0.00 C ATOM 174 CD GLU A 13 -37.946 -25.757 36.411 1.00 0.00 C ATOM 175 OE1 GLU A 13 -38.891 -25.115 36.908 1.00 0.00 O ATOM 176 OE2 GLU A 13 -37.951 -26.996 36.320 1.00 0.00 O ATOM 0 H GLU A 13 -35.218 -26.162 33.699 1.00 0.00 H new ATOM 0 HA GLU A 13 -38.101 -26.104 33.770 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -36.007 -23.945 34.192 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -37.724 -23.745 34.477 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -35.870 -25.659 35.937 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -36.535 -24.168 36.574 1.00 0.00 H new ATOM 183 N ILE A 14 -36.638 -25.230 31.114 1.00 0.00 N ATOM 184 CA ILE A 14 -36.807 -24.739 29.759 1.00 0.00 C ATOM 185 C ILE A 14 -37.505 -25.807 28.915 1.00 0.00 C ATOM 186 O ILE A 14 -38.537 -25.549 28.290 1.00 0.00 O ATOM 187 CB ILE A 14 -35.440 -24.382 29.111 1.00 0.00 C ATOM 188 CG1 ILE A 14 -34.659 -23.402 29.999 1.00 0.00 C ATOM 189 CG2 ILE A 14 -35.640 -23.794 27.718 1.00 0.00 C ATOM 190 CD1 ILE A 14 -35.361 -22.079 30.232 1.00 0.00 C ATOM 0 H ILE A 14 -35.813 -25.815 31.248 1.00 0.00 H new ATOM 0 HA ILE A 14 -37.413 -23.834 29.798 1.00 0.00 H new ATOM 0 HB ILE A 14 -34.860 -25.300 29.017 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -34.470 -23.875 30.963 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -33.688 -23.210 29.542 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -34.671 -23.551 27.283 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -36.150 -24.521 27.086 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -36.243 -22.889 27.788 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -34.742 -21.446 30.868 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -35.526 -21.582 29.276 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -36.320 -22.257 30.719 1.00 0.00 H new ATOM 202 N VAL A 15 -36.938 -27.011 28.924 1.00 0.00 N ATOM 203 CA VAL A 15 -37.481 -28.151 28.189 1.00 0.00 C ATOM 204 C VAL A 15 -37.364 -29.419 29.050 1.00 0.00 C ATOM 205 O VAL A 15 -36.263 -29.884 29.328 1.00 0.00 O ATOM 206 CB VAL A 15 -36.737 -28.373 26.839 1.00 0.00 C ATOM 207 CG1 VAL A 15 -37.264 -29.604 26.135 1.00 0.00 C ATOM 208 CG2 VAL A 15 -36.873 -27.157 25.934 1.00 0.00 C ATOM 0 H VAL A 15 -36.086 -27.224 29.443 1.00 0.00 H new ATOM 0 HA VAL A 15 -38.527 -27.939 27.967 1.00 0.00 H new ATOM 0 HB VAL A 15 -35.680 -28.521 27.062 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -36.731 -29.741 25.194 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -37.113 -30.478 26.768 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -38.328 -29.481 25.935 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -36.344 -27.339 24.998 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -37.927 -26.975 25.726 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -36.445 -26.285 26.429 1.00 0.00 H new ATOM 218 N PRO A 16 -38.506 -29.992 29.476 1.00 0.00 N ATOM 219 CA PRO A 16 -38.529 -31.163 30.375 1.00 0.00 C ATOM 220 C PRO A 16 -37.932 -32.441 29.768 1.00 0.00 C ATOM 221 O PRO A 16 -37.465 -33.316 30.501 1.00 0.00 O ATOM 222 CB PRO A 16 -40.017 -31.366 30.670 1.00 0.00 C ATOM 223 CG PRO A 16 -40.733 -30.695 29.551 1.00 0.00 C ATOM 224 CD PRO A 16 -39.866 -29.545 29.126 1.00 0.00 C ATOM 0 HA PRO A 16 -37.913 -30.977 31.255 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -40.268 -32.426 30.718 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -40.291 -30.930 31.630 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -40.896 -31.386 28.724 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -41.714 -30.345 29.872 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -39.960 -29.344 28.059 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -40.133 -28.626 29.648 1.00 0.00 H new ATOM 232 N THR A 17 -37.937 -32.555 28.446 1.00 0.00 N ATOM 233 CA THR A 17 -37.413 -33.757 27.808 1.00 0.00 C ATOM 234 C THR A 17 -35.879 -33.747 27.768 1.00 0.00 C ATOM 235 O THR A 17 -35.252 -34.775 27.520 1.00 0.00 O ATOM 236 CB THR A 17 -38.001 -33.975 26.382 1.00 0.00 C ATOM 237 OG1 THR A 17 -37.648 -35.278 25.887 1.00 0.00 O ATOM 238 CG2 THR A 17 -37.499 -32.924 25.409 1.00 0.00 C ATOM 0 H THR A 17 -38.291 -31.845 27.805 1.00 0.00 H new ATOM 0 HA THR A 17 -37.733 -34.599 28.422 1.00 0.00 H new ATOM 0 HB THR A 17 -39.085 -33.891 26.462 1.00 0.00 H new ATOM 0 HG1 THR A 17 -36.821 -35.579 26.318 1.00 0.00 H new ATOM 0 HG21 THR A 17 -37.929 -33.106 24.424 1.00 0.00 H new ATOM 0 HG22 THR A 17 -37.795 -31.935 25.757 1.00 0.00 H new ATOM 0 HG23 THR A 17 -36.412 -32.976 25.346 1.00 0.00 H new ATOM 246 N ARG A 18 -35.284 -32.588 28.036 1.00 0.00 N ATOM 247 CA ARG A 18 -33.832 -32.460 28.057 1.00 0.00 C ATOM 248 C ARG A 18 -33.400 -31.589 29.239 1.00 0.00 C ATOM 249 O ARG A 18 -33.154 -30.394 29.081 1.00 0.00 O ATOM 250 CB ARG A 18 -33.314 -31.855 26.743 1.00 0.00 C ATOM 251 CG ARG A 18 -31.795 -31.882 26.609 1.00 0.00 C ATOM 252 CD ARG A 18 -31.318 -31.051 25.423 1.00 0.00 C ATOM 253 NE ARG A 18 -31.964 -31.439 24.165 1.00 0.00 N ATOM 254 CZ ARG A 18 -31.382 -31.385 22.963 1.00 0.00 C ATOM 255 NH1 ARG A 18 -30.108 -31.021 22.853 1.00 0.00 N ATOM 256 NH2 ARG A 18 -32.073 -31.716 21.875 1.00 0.00 N ATOM 0 H ARG A 18 -35.786 -31.724 28.242 1.00 0.00 H new ATOM 0 HA ARG A 18 -33.403 -33.456 28.168 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -33.753 -32.398 25.906 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -33.658 -30.823 26.669 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -31.342 -31.502 27.525 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -31.459 -32.912 26.490 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -31.517 -29.997 25.619 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -30.238 -31.158 25.320 1.00 0.00 H new ATOM 0 HE ARG A 18 -32.926 -31.774 24.211 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -29.572 -30.782 23.687 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -29.667 -30.981 21.934 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -33.046 -32.011 21.959 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -31.630 -31.675 20.957 1.00 0.00 H new ATOM 270 N PRO A 19 -33.353 -32.168 30.452 1.00 0.00 N ATOM 271 CA PRO A 19 -32.963 -31.435 31.658 1.00 0.00 C ATOM 272 C PRO A 19 -31.505 -30.980 31.629 1.00 0.00 C ATOM 273 O PRO A 19 -31.163 -29.935 32.188 1.00 0.00 O ATOM 274 CB PRO A 19 -33.191 -32.443 32.792 1.00 0.00 C ATOM 275 CG PRO A 19 -33.142 -33.777 32.132 1.00 0.00 C ATOM 276 CD PRO A 19 -33.680 -33.576 30.743 1.00 0.00 C ATOM 0 HA PRO A 19 -33.539 -30.516 31.769 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -32.423 -32.354 33.561 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -34.152 -32.278 33.280 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -32.122 -34.160 32.103 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -33.740 -34.505 32.680 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -33.212 -34.253 30.029 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -34.754 -33.757 30.698 1.00 0.00 H new ATOM 284 N TYR A 20 -30.654 -31.762 30.978 1.00 0.00 N ATOM 285 CA TYR A 20 -29.243 -31.441 30.895 1.00 0.00 C ATOM 286 C TYR A 20 -28.741 -31.509 29.466 1.00 0.00 C ATOM 287 O TYR A 20 -29.096 -32.414 28.710 1.00 0.00 O ATOM 288 CB TYR A 20 -28.416 -32.375 31.787 1.00 0.00 C ATOM 289 CG TYR A 20 -28.705 -32.229 33.262 1.00 0.00 C ATOM 290 CD1 TYR A 20 -28.098 -31.231 34.009 1.00 0.00 C ATOM 291 CD2 TYR A 20 -29.585 -33.089 33.908 1.00 0.00 C ATOM 292 CE1 TYR A 20 -28.356 -31.090 35.356 1.00 0.00 C ATOM 293 CE2 TYR A 20 -29.850 -32.953 35.257 1.00 0.00 C ATOM 294 CZ TYR A 20 -29.232 -31.954 35.976 1.00 0.00 C ATOM 295 OH TYR A 20 -29.493 -31.815 37.319 1.00 0.00 O ATOM 0 H TYR A 20 -30.921 -32.623 30.501 1.00 0.00 H new ATOM 0 HA TYR A 20 -29.122 -30.418 31.250 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -28.606 -33.407 31.490 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -27.357 -32.183 31.614 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -27.411 -30.552 33.527 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -30.069 -33.875 33.347 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -27.874 -30.307 35.922 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -30.538 -33.627 35.745 1.00 0.00 H new ATOM 0 HH TYR A 20 -30.132 -32.502 37.601 1.00 0.00 H new ATOM 305 N VAL A 21 -27.924 -30.553 29.104 1.00 0.00 N ATOM 306 CA VAL A 21 -27.333 -30.502 27.788 1.00 0.00 C ATOM 307 C VAL A 21 -25.858 -30.149 27.902 1.00 0.00 C ATOM 308 O VAL A 21 -25.420 -29.582 28.902 1.00 0.00 O ATOM 309 CB VAL A 21 -28.065 -29.483 26.873 1.00 0.00 C ATOM 310 CG1 VAL A 21 -27.905 -28.059 27.382 1.00 0.00 C ATOM 311 CG2 VAL A 21 -27.614 -29.597 25.424 1.00 0.00 C ATOM 0 H VAL A 21 -27.648 -29.784 29.715 1.00 0.00 H new ATOM 0 HA VAL A 21 -27.436 -31.486 27.330 1.00 0.00 H new ATOM 0 HB VAL A 21 -29.126 -29.732 26.907 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -28.430 -27.374 26.717 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -28.323 -27.982 28.386 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -26.847 -27.799 27.409 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -28.150 -28.867 24.818 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -26.543 -29.405 25.360 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -27.826 -30.601 25.055 1.00 0.00 H new ATOM 321 N SER A 22 -25.106 -30.497 26.900 1.00 0.00 N ATOM 322 CA SER A 22 -23.681 -30.231 26.888 1.00 0.00 C ATOM 323 C SER A 22 -23.358 -29.188 25.828 1.00 0.00 C ATOM 324 O SER A 22 -23.742 -29.336 24.664 1.00 0.00 O ATOM 325 CB SER A 22 -22.901 -31.521 26.628 1.00 0.00 C ATOM 326 OG SER A 22 -23.218 -32.510 27.600 1.00 0.00 O ATOM 0 H SER A 22 -25.453 -30.972 26.067 1.00 0.00 H new ATOM 0 HA SER A 22 -23.385 -29.843 27.863 1.00 0.00 H new ATOM 0 HB2 SER A 22 -23.134 -31.897 25.632 1.00 0.00 H new ATOM 0 HB3 SER A 22 -21.831 -31.314 26.649 1.00 0.00 H new ATOM 0 HG SER A 22 -22.709 -33.327 27.414 1.00 0.00 H new ATOM 332 N ILE A 23 -22.675 -28.127 26.226 1.00 0.00 N ATOM 333 CA ILE A 23 -22.346 -27.056 25.299 1.00 0.00 C ATOM 334 C ILE A 23 -20.849 -26.811 25.274 1.00 0.00 C ATOM 335 O ILE A 23 -20.133 -27.228 26.183 1.00 0.00 O ATOM 336 CB ILE A 23 -23.043 -25.727 25.683 1.00 0.00 C ATOM 337 CG1 ILE A 23 -22.481 -25.182 27.000 1.00 0.00 C ATOM 338 CG2 ILE A 23 -24.540 -25.940 25.789 1.00 0.00 C ATOM 339 CD1 ILE A 23 -22.936 -23.772 27.321 1.00 0.00 C ATOM 0 H ILE A 23 -22.339 -27.984 27.179 1.00 0.00 H new ATOM 0 HA ILE A 23 -22.697 -27.376 24.318 1.00 0.00 H new ATOM 0 HB ILE A 23 -22.847 -24.991 24.903 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -22.779 -25.844 27.813 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -21.392 -25.201 26.956 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -25.023 -25.001 26.059 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -24.927 -26.284 24.830 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -24.748 -26.688 26.554 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -22.498 -23.455 28.267 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -22.615 -23.097 26.528 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -24.023 -23.749 27.399 1.00 0.00 H new ATOM 351 N LEU A 24 -20.381 -26.149 24.239 1.00 0.00 N ATOM 352 CA LEU A 24 -18.987 -25.776 24.146 1.00 0.00 C ATOM 353 C LEU A 24 -18.860 -24.275 24.361 1.00 0.00 C ATOM 354 O LEU A 24 -19.477 -23.484 23.641 1.00 0.00 O ATOM 355 CB LEU A 24 -18.409 -26.175 22.781 1.00 0.00 C ATOM 356 CG LEU A 24 -16.937 -25.802 22.539 1.00 0.00 C ATOM 357 CD1 LEU A 24 -16.028 -26.487 23.547 1.00 0.00 C ATOM 358 CD2 LEU A 24 -16.524 -26.153 21.120 1.00 0.00 C ATOM 0 H LEU A 24 -20.950 -25.856 23.445 1.00 0.00 H new ATOM 0 HA LEU A 24 -18.421 -26.303 24.914 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -18.514 -27.254 22.665 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -19.014 -25.710 22.002 1.00 0.00 H new ATOM 0 HG LEU A 24 -16.835 -24.725 22.672 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -14.993 -26.206 23.353 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -16.305 -26.179 24.555 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -16.134 -27.568 23.456 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -15.479 -25.882 20.967 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -16.648 -27.224 20.959 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -17.148 -25.605 20.414 1.00 0.00 H new ATOM 370 N ALA A 25 -18.084 -23.887 25.345 1.00 0.00 N ATOM 371 CA ALA A 25 -17.906 -22.487 25.657 1.00 0.00 C ATOM 372 C ALA A 25 -16.502 -22.228 26.154 1.00 0.00 C ATOM 373 O ALA A 25 -15.883 -23.093 26.771 1.00 0.00 O ATOM 374 CB ALA A 25 -18.923 -22.044 26.697 1.00 0.00 C ATOM 0 H ALA A 25 -17.563 -24.524 25.947 1.00 0.00 H new ATOM 0 HA ALA A 25 -18.062 -21.909 24.746 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -18.777 -20.988 26.922 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -19.930 -22.196 26.309 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -18.792 -22.630 27.607 1.00 0.00 H new ATOM 380 N GLU A 26 -16.000 -21.053 25.872 1.00 0.00 N ATOM 381 CA GLU A 26 -14.680 -20.670 26.309 1.00 0.00 C ATOM 382 C GLU A 26 -14.806 -19.772 27.520 1.00 0.00 C ATOM 383 O GLU A 26 -15.774 -19.024 27.635 1.00 0.00 O ATOM 384 CB GLU A 26 -13.955 -19.936 25.190 1.00 0.00 C ATOM 385 CG GLU A 26 -13.795 -20.751 23.924 1.00 0.00 C ATOM 386 CD GLU A 26 -13.179 -19.950 22.806 1.00 0.00 C ATOM 387 OE1 GLU A 26 -11.970 -19.643 22.882 1.00 0.00 O ATOM 388 OE2 GLU A 26 -13.902 -19.617 21.841 1.00 0.00 O ATOM 0 H GLU A 26 -16.491 -20.337 25.336 1.00 0.00 H new ATOM 0 HA GLU A 26 -14.107 -21.560 26.570 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -14.500 -19.022 24.955 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -12.969 -19.637 25.545 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -13.173 -21.622 24.131 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.769 -21.123 23.608 1.00 0.00 H new ATOM 395 N ILE A 27 -13.840 -19.835 28.417 1.00 0.00 N ATOM 396 CA ILE A 27 -13.890 -19.030 29.629 1.00 0.00 C ATOM 397 C ILE A 27 -13.827 -17.535 29.329 1.00 0.00 C ATOM 398 O ILE A 27 -14.403 -16.723 30.050 1.00 0.00 O ATOM 399 CB ILE A 27 -12.787 -19.421 30.641 1.00 0.00 C ATOM 400 CG1 ILE A 27 -12.968 -18.624 31.931 1.00 0.00 C ATOM 401 CG2 ILE A 27 -11.397 -19.192 30.053 1.00 0.00 C ATOM 402 CD1 ILE A 27 -12.215 -19.174 33.103 1.00 0.00 C ATOM 0 H ILE A 27 -13.016 -20.430 28.333 1.00 0.00 H new ATOM 0 HA ILE A 27 -14.855 -19.243 30.088 1.00 0.00 H new ATOM 0 HB ILE A 27 -12.878 -20.484 30.865 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -12.648 -17.596 31.758 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -14.029 -18.590 32.178 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -10.641 -19.475 30.785 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -11.277 -19.798 29.155 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -11.279 -18.139 29.798 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -12.398 -18.550 33.978 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -12.550 -20.191 33.306 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -11.148 -19.182 32.879 1.00 0.00 H new ATOM 414 N ASN A 28 -13.151 -17.184 28.254 1.00 0.00 N ATOM 415 CA ASN A 28 -12.994 -15.789 27.871 1.00 0.00 C ATOM 416 C ASN A 28 -14.275 -15.253 27.211 1.00 0.00 C ATOM 417 O ASN A 28 -14.401 -14.055 26.953 1.00 0.00 O ATOM 418 CB ASN A 28 -11.783 -15.634 26.934 1.00 0.00 C ATOM 419 CG ASN A 28 -11.387 -14.186 26.695 1.00 0.00 C ATOM 420 OD1 ASN A 28 -10.646 -13.598 27.479 1.00 0.00 O ATOM 421 ND2 ASN A 28 -11.854 -13.612 25.605 1.00 0.00 N ATOM 0 H ASN A 28 -12.698 -17.847 27.625 1.00 0.00 H new ATOM 0 HA ASN A 28 -12.815 -15.198 28.770 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -10.934 -16.170 27.358 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -12.011 -16.103 25.977 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -11.602 -12.647 25.389 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -12.467 -14.132 24.977 1.00 0.00 H new ATOM 428 N GLU A 29 -15.231 -16.144 26.961 1.00 0.00 N ATOM 429 CA GLU A 29 -16.481 -15.759 26.325 1.00 0.00 C ATOM 430 C GLU A 29 -17.453 -15.198 27.339 1.00 0.00 C ATOM 431 O GLU A 29 -17.314 -15.421 28.543 1.00 0.00 O ATOM 432 CB GLU A 29 -17.107 -16.942 25.588 1.00 0.00 C ATOM 433 CG GLU A 29 -16.367 -17.330 24.328 1.00 0.00 C ATOM 434 CD GLU A 29 -16.437 -16.261 23.266 1.00 0.00 C ATOM 435 OE1 GLU A 29 -17.555 -15.913 22.836 1.00 0.00 O ATOM 436 OE2 GLU A 29 -15.372 -15.774 22.837 1.00 0.00 O ATOM 0 H GLU A 29 -15.161 -17.136 27.190 1.00 0.00 H new ATOM 0 HA GLU A 29 -16.256 -14.980 25.596 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -17.141 -17.801 26.259 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -18.138 -16.696 25.333 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -15.323 -17.530 24.570 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -16.786 -18.256 23.935 1.00 0.00 H new ATOM 443 N ASN A 30 -18.425 -14.465 26.855 1.00 0.00 N ATOM 444 CA ASN A 30 -19.422 -13.875 27.716 1.00 0.00 C ATOM 445 C ASN A 30 -20.600 -14.814 27.902 1.00 0.00 C ATOM 446 O ASN A 30 -20.714 -15.842 27.219 1.00 0.00 O ATOM 447 CB ASN A 30 -19.890 -12.510 27.172 1.00 0.00 C ATOM 448 CG ASN A 30 -20.433 -12.569 25.745 1.00 0.00 C ATOM 449 OD1 ASN A 30 -20.919 -13.601 25.283 1.00 0.00 O ATOM 450 ND2 ASN A 30 -20.358 -11.451 25.048 1.00 0.00 N ATOM 0 H ASN A 30 -18.548 -14.261 25.863 1.00 0.00 H new ATOM 0 HA ASN A 30 -18.964 -13.707 28.691 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -20.664 -12.113 27.829 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -19.055 -11.811 27.204 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -20.710 -11.422 24.091 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -19.948 -10.616 25.466 1.00 0.00 H new ATOM 457 N ALA A 31 -21.471 -14.461 28.830 1.00 0.00 N ATOM 458 CA ALA A 31 -22.647 -15.247 29.123 1.00 0.00 C ATOM 459 C ALA A 31 -23.567 -15.330 27.915 1.00 0.00 C ATOM 460 O ALA A 31 -24.338 -16.255 27.799 1.00 0.00 O ATOM 461 CB ALA A 31 -23.384 -14.671 30.322 1.00 0.00 C ATOM 0 H ALA A 31 -21.379 -13.620 29.400 1.00 0.00 H new ATOM 0 HA ALA A 31 -22.326 -16.260 29.366 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -24.268 -15.274 30.530 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -22.726 -14.679 31.191 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -23.687 -13.647 30.105 1.00 0.00 H new ATOM 467 N ASP A 32 -23.476 -14.350 27.022 1.00 0.00 N ATOM 468 CA ASP A 32 -24.301 -14.334 25.811 1.00 0.00 C ATOM 469 C ASP A 32 -24.034 -15.548 24.957 1.00 0.00 C ATOM 470 O ASP A 32 -24.963 -16.210 24.499 1.00 0.00 O ATOM 471 CB ASP A 32 -24.043 -13.077 24.983 1.00 0.00 C ATOM 472 CG ASP A 32 -24.819 -13.080 23.680 1.00 0.00 C ATOM 473 OD1 ASP A 32 -25.973 -12.619 23.674 1.00 0.00 O ATOM 474 OD2 ASP A 32 -24.278 -13.552 22.657 1.00 0.00 O ATOM 0 H ASP A 32 -22.842 -13.556 27.110 1.00 0.00 H new ATOM 0 HA ASP A 32 -25.342 -14.342 26.134 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -24.318 -12.198 25.565 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -22.977 -12.997 24.769 1.00 0.00 H new ATOM 479 N ARG A 33 -22.766 -15.836 24.743 1.00 0.00 N ATOM 480 CA ARG A 33 -22.368 -16.944 23.941 1.00 0.00 C ATOM 481 C ARG A 33 -22.706 -18.251 24.640 1.00 0.00 C ATOM 482 O ARG A 33 -23.176 -19.191 24.016 1.00 0.00 O ATOM 483 CB ARG A 33 -20.885 -16.857 23.646 1.00 0.00 C ATOM 484 CG ARG A 33 -20.378 -17.940 22.732 1.00 0.00 C ATOM 485 CD ARG A 33 -20.782 -17.708 21.268 1.00 0.00 C ATOM 486 NE ARG A 33 -22.233 -17.830 21.028 1.00 0.00 N ATOM 487 CZ ARG A 33 -22.804 -18.827 20.334 1.00 0.00 C ATOM 488 NH1 ARG A 33 -22.065 -19.835 19.887 1.00 0.00 N ATOM 489 NH2 ARG A 33 -24.118 -18.817 20.101 1.00 0.00 N ATOM 0 H ARG A 33 -21.990 -15.298 25.128 1.00 0.00 H new ATOM 0 HA ARG A 33 -22.912 -16.916 22.997 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -20.671 -15.887 23.197 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -20.335 -16.902 24.586 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -19.292 -17.992 22.802 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -20.765 -18.903 23.065 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -20.454 -16.714 20.963 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -20.257 -18.425 20.637 1.00 0.00 H new ATOM 0 HE ARG A 33 -22.842 -17.109 21.415 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -21.062 -19.853 20.071 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -22.500 -20.592 19.360 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -24.692 -18.050 20.451 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -24.548 -19.576 19.573 1.00 0.00 H new ATOM 503 N ILE A 34 -22.465 -18.297 25.945 1.00 0.00 N ATOM 504 CA ILE A 34 -22.758 -19.484 26.740 1.00 0.00 C ATOM 505 C ILE A 34 -24.266 -19.757 26.720 1.00 0.00 C ATOM 506 O ILE A 34 -24.708 -20.890 26.501 1.00 0.00 O ATOM 507 CB ILE A 34 -22.301 -19.278 28.203 1.00 0.00 C ATOM 508 CG1 ILE A 34 -20.780 -19.146 28.266 1.00 0.00 C ATOM 509 CG2 ILE A 34 -22.769 -20.434 29.085 1.00 0.00 C ATOM 510 CD1 ILE A 34 -20.264 -18.698 29.614 1.00 0.00 C ATOM 0 H ILE A 34 -22.066 -17.523 26.477 1.00 0.00 H new ATOM 0 HA ILE A 34 -22.221 -20.331 26.313 1.00 0.00 H new ATOM 0 HB ILE A 34 -22.751 -18.359 28.578 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -20.330 -20.107 28.016 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -20.454 -18.434 27.507 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -22.436 -20.268 30.110 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -23.857 -20.492 29.062 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -22.348 -21.368 28.714 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -19.177 -18.627 29.582 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -20.684 -17.723 29.859 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -20.558 -19.421 30.375 1.00 0.00 H new ATOM 522 N LEU A 35 -25.037 -18.696 26.916 1.00 0.00 N ATOM 523 CA LEU A 35 -26.486 -18.767 26.894 1.00 0.00 C ATOM 524 C LEU A 35 -26.961 -19.176 25.518 1.00 0.00 C ATOM 525 O LEU A 35 -27.802 -20.046 25.379 1.00 0.00 O ATOM 526 CB LEU A 35 -27.077 -17.396 27.279 1.00 0.00 C ATOM 527 CG LEU A 35 -28.603 -17.249 27.232 1.00 0.00 C ATOM 528 CD1 LEU A 35 -29.284 -18.273 28.127 1.00 0.00 C ATOM 529 CD2 LEU A 35 -29.003 -15.842 27.652 1.00 0.00 C ATOM 0 H LEU A 35 -24.671 -17.761 27.095 1.00 0.00 H new ATOM 0 HA LEU A 35 -26.822 -19.513 27.614 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -26.746 -17.158 28.290 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -26.645 -16.645 26.617 1.00 0.00 H new ATOM 0 HG LEU A 35 -28.929 -17.427 26.207 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -30.365 -18.143 28.072 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -29.022 -19.278 27.795 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -28.954 -18.133 29.156 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -30.088 -15.746 27.616 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -28.656 -15.653 28.668 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -28.552 -15.118 26.974 1.00 0.00 H new ATOM 541 N GLY A 36 -26.377 -18.561 24.505 1.00 0.00 N ATOM 542 CA GLY A 36 -26.748 -18.837 23.143 1.00 0.00 C ATOM 543 C GLY A 36 -26.411 -20.241 22.705 1.00 0.00 C ATOM 544 O GLY A 36 -27.171 -20.849 21.984 1.00 0.00 O ATOM 0 H GLY A 36 -25.640 -17.864 24.609 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -27.819 -18.675 23.026 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -26.244 -18.128 22.486 1.00 0.00 H new ATOM 548 N ALA A 37 -25.270 -20.757 23.142 1.00 0.00 N ATOM 549 CA ALA A 37 -24.855 -22.113 22.789 1.00 0.00 C ATOM 550 C ALA A 37 -25.870 -23.135 23.281 1.00 0.00 C ATOM 551 O ALA A 37 -26.303 -24.014 22.529 1.00 0.00 O ATOM 552 CB ALA A 37 -23.485 -22.413 23.380 1.00 0.00 C ATOM 0 H ALA A 37 -24.613 -20.259 23.742 1.00 0.00 H new ATOM 0 HA ALA A 37 -24.797 -22.181 21.703 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -23.186 -23.426 23.110 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -22.756 -21.703 22.988 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -23.530 -22.325 24.465 1.00 0.00 H new ATOM 558 N ALA A 38 -26.242 -23.014 24.544 1.00 0.00 N ATOM 559 CA ALA A 38 -27.212 -23.908 25.149 1.00 0.00 C ATOM 560 C ALA A 38 -28.599 -23.669 24.580 1.00 0.00 C ATOM 561 O ALA A 38 -29.329 -24.606 24.277 1.00 0.00 O ATOM 562 CB ALA A 38 -27.221 -23.713 26.651 1.00 0.00 C ATOM 0 H ALA A 38 -25.882 -22.298 25.175 1.00 0.00 H new ATOM 0 HA ALA A 38 -26.926 -24.935 24.921 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -27.951 -24.386 27.101 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -26.231 -23.930 27.052 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -27.488 -22.682 26.882 1.00 0.00 H new ATOM 568 N LEU A 39 -28.934 -22.409 24.414 1.00 0.00 N ATOM 569 CA LEU A 39 -30.231 -21.994 23.912 1.00 0.00 C ATOM 570 C LEU A 39 -30.415 -22.487 22.469 1.00 0.00 C ATOM 571 O LEU A 39 -31.518 -22.845 22.057 1.00 0.00 O ATOM 572 CB LEU A 39 -30.330 -20.474 24.013 1.00 0.00 C ATOM 573 CG LEU A 39 -31.691 -19.853 23.783 1.00 0.00 C ATOM 574 CD1 LEU A 39 -32.685 -20.393 24.794 1.00 0.00 C ATOM 575 CD2 LEU A 39 -31.594 -18.356 23.927 1.00 0.00 C ATOM 0 H LEU A 39 -28.308 -21.632 24.625 1.00 0.00 H new ATOM 0 HA LEU A 39 -31.031 -22.433 24.508 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -29.987 -20.178 25.004 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -29.635 -20.042 23.293 1.00 0.00 H new ATOM 0 HG LEU A 39 -32.030 -20.103 22.778 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -33.662 -19.941 24.621 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -32.762 -21.475 24.687 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -32.347 -20.152 25.802 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -32.575 -17.910 23.761 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -31.248 -18.109 24.931 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -30.889 -17.965 23.194 1.00 0.00 H new ATOM 587 N GLU A 40 -29.312 -22.496 21.719 1.00 0.00 N ATOM 588 CA GLU A 40 -29.274 -22.995 20.344 1.00 0.00 C ATOM 589 C GLU A 40 -29.628 -24.487 20.305 1.00 0.00 C ATOM 590 O GLU A 40 -30.271 -24.957 19.367 1.00 0.00 O ATOM 591 CB GLU A 40 -27.875 -22.762 19.747 1.00 0.00 C ATOM 592 CG GLU A 40 -27.667 -23.317 18.344 1.00 0.00 C ATOM 593 CD GLU A 40 -28.486 -22.607 17.284 1.00 0.00 C ATOM 594 OE1 GLU A 40 -28.006 -21.597 16.737 1.00 0.00 O ATOM 595 OE2 GLU A 40 -29.604 -23.071 16.970 1.00 0.00 O ATOM 0 H GLU A 40 -28.411 -22.154 22.053 1.00 0.00 H new ATOM 0 HA GLU A 40 -30.010 -22.453 19.750 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -27.679 -21.690 19.729 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -27.135 -23.210 20.411 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -26.611 -23.243 18.086 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -27.922 -24.377 18.340 1.00 0.00 H new ATOM 602 N LYS A 41 -29.204 -25.229 21.330 1.00 0.00 N ATOM 603 CA LYS A 41 -29.521 -26.640 21.438 1.00 0.00 C ATOM 604 C LYS A 41 -31.031 -26.839 21.518 1.00 0.00 C ATOM 605 O LYS A 41 -31.575 -27.787 20.955 1.00 0.00 O ATOM 606 CB LYS A 41 -28.856 -27.249 22.674 1.00 0.00 C ATOM 607 CG LYS A 41 -27.334 -27.181 22.674 1.00 0.00 C ATOM 608 CD LYS A 41 -26.757 -27.892 21.470 1.00 0.00 C ATOM 609 CE LYS A 41 -25.234 -27.934 21.519 1.00 0.00 C ATOM 610 NZ LYS A 41 -24.655 -28.661 20.357 1.00 0.00 N ATOM 0 H LYS A 41 -28.638 -24.867 22.097 1.00 0.00 H new ATOM 0 HA LYS A 41 -29.140 -27.143 20.549 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -29.229 -26.737 23.561 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -29.160 -28.292 22.757 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -27.013 -26.139 22.673 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -26.947 -27.633 23.587 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -27.148 -28.908 21.425 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -27.078 -27.386 20.560 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -24.844 -26.916 21.540 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -24.915 -28.416 22.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -23.618 -28.665 20.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -25.005 -29.640 20.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -24.937 -28.187 19.475 1.00 0.00 H new ATOM 624 N TYR A 42 -31.706 -25.937 22.222 1.00 0.00 N ATOM 625 CA TYR A 42 -33.154 -26.013 22.362 1.00 0.00 C ATOM 626 C TYR A 42 -33.838 -25.274 21.207 1.00 0.00 C ATOM 627 O TYR A 42 -35.068 -25.228 21.122 1.00 0.00 O ATOM 628 CB TYR A 42 -33.601 -25.422 23.707 1.00 0.00 C ATOM 629 CG TYR A 42 -32.938 -26.059 24.914 1.00 0.00 C ATOM 630 CD1 TYR A 42 -33.354 -27.291 25.399 1.00 0.00 C ATOM 631 CD2 TYR A 42 -31.884 -25.429 25.561 1.00 0.00 C ATOM 632 CE1 TYR A 42 -32.743 -27.873 26.493 1.00 0.00 C ATOM 633 CE2 TYR A 42 -31.267 -26.004 26.654 1.00 0.00 C ATOM 634 CZ TYR A 42 -31.699 -27.224 27.116 1.00 0.00 C ATOM 635 OH TYR A 42 -31.083 -27.802 28.200 1.00 0.00 O ATOM 0 H TYR A 42 -31.275 -25.148 22.703 1.00 0.00 H new ATOM 0 HA TYR A 42 -33.447 -27.063 22.332 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -33.388 -24.353 23.711 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -34.682 -25.532 23.799 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -34.170 -27.804 24.912 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -31.540 -24.470 25.202 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -33.082 -28.831 26.858 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -30.449 -25.497 27.144 1.00 0.00 H new ATOM 0 HH TYR A 42 -30.366 -27.215 28.520 1.00 0.00 H new ATOM 645 N GLY A 43 -33.024 -24.698 20.324 1.00 0.00 N ATOM 646 CA GLY A 43 -33.537 -23.988 19.167 1.00 0.00 C ATOM 647 C GLY A 43 -34.282 -22.720 19.531 1.00 0.00 C ATOM 648 O GLY A 43 -35.251 -22.356 18.869 1.00 0.00 O ATOM 0 H GLY A 43 -32.006 -24.712 20.393 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -32.708 -23.738 18.504 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -34.203 -24.647 18.610 1.00 0.00 H new ATOM 652 N LEU A 44 -33.849 -22.054 20.587 1.00 0.00 N ATOM 653 CA LEU A 44 -34.524 -20.855 21.046 1.00 0.00 C ATOM 654 C LEU A 44 -33.598 -19.640 21.057 1.00 0.00 C ATOM 655 O LEU A 44 -33.955 -18.605 21.625 1.00 0.00 O ATOM 656 CB LEU A 44 -35.094 -21.075 22.449 1.00 0.00 C ATOM 657 CG LEU A 44 -36.138 -22.184 22.588 1.00 0.00 C ATOM 658 CD1 LEU A 44 -36.529 -22.367 24.046 1.00 0.00 C ATOM 659 CD2 LEU A 44 -37.361 -21.869 21.748 1.00 0.00 C ATOM 0 H LEU A 44 -33.036 -22.323 21.141 1.00 0.00 H new ATOM 0 HA LEU A 44 -35.332 -20.653 20.343 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -34.267 -21.297 23.124 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -35.540 -20.140 22.788 1.00 0.00 H new ATOM 0 HG LEU A 44 -35.701 -23.115 22.228 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -37.273 -23.160 24.127 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -35.648 -22.636 24.628 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -36.948 -21.437 24.430 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -38.094 -22.668 21.858 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -37.798 -20.927 22.080 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -37.071 -21.785 20.701 1.00 0.00 H new ATOM 671 N GLU A 45 -32.416 -19.744 20.425 1.00 0.00 N ATOM 672 CA GLU A 45 -31.457 -18.627 20.457 1.00 0.00 C ATOM 673 C GLU A 45 -32.015 -17.379 19.778 1.00 0.00 C ATOM 674 O GLU A 45 -31.611 -16.259 20.097 1.00 0.00 O ATOM 675 CB GLU A 45 -30.081 -18.988 19.872 1.00 0.00 C ATOM 676 CG GLU A 45 -29.104 -17.815 19.965 1.00 0.00 C ATOM 677 CD GLU A 45 -27.708 -18.107 19.487 1.00 0.00 C ATOM 678 OE1 GLU A 45 -27.552 -18.661 18.398 1.00 0.00 O ATOM 679 OE2 GLU A 45 -26.749 -17.730 20.204 1.00 0.00 O ATOM 0 H GLU A 45 -32.108 -20.563 19.901 1.00 0.00 H new ATOM 0 HA GLU A 45 -31.304 -18.408 21.514 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -29.672 -19.846 20.406 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -30.195 -19.286 18.830 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -29.503 -16.983 19.385 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -29.054 -17.485 21.003 1.00 0.00 H new ATOM 686 N HIS A 46 -32.956 -17.573 18.866 1.00 0.00 N ATOM 687 CA HIS A 46 -33.597 -16.457 18.178 1.00 0.00 C ATOM 688 C HIS A 46 -34.229 -15.520 19.205 1.00 0.00 C ATOM 689 O HIS A 46 -34.260 -14.299 19.019 1.00 0.00 O ATOM 690 CB HIS A 46 -34.662 -16.968 17.201 1.00 0.00 C ATOM 691 CG HIS A 46 -35.292 -15.892 16.357 1.00 0.00 C ATOM 692 ND1 HIS A 46 -34.821 -15.542 15.112 1.00 0.00 N ATOM 693 CD2 HIS A 46 -36.368 -15.097 16.583 1.00 0.00 C ATOM 694 CE1 HIS A 46 -35.574 -14.582 14.607 1.00 0.00 C ATOM 695 NE2 HIS A 46 -36.519 -14.296 15.480 1.00 0.00 N ATOM 0 H HIS A 46 -33.294 -18.493 18.583 1.00 0.00 H new ATOM 0 HA HIS A 46 -32.844 -15.912 17.608 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -34.210 -17.711 16.544 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -35.444 -17.475 17.766 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -36.989 -15.095 17.466 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -35.439 -14.112 13.644 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -37.246 -13.592 15.355 1.00 0.00 H new ATOM 703 N SER A 47 -34.740 -16.107 20.276 1.00 0.00 N ATOM 704 CA SER A 47 -35.327 -15.350 21.348 1.00 0.00 C ATOM 705 C SER A 47 -34.229 -14.756 22.246 1.00 0.00 C ATOM 706 O SER A 47 -33.804 -13.618 22.037 1.00 0.00 O ATOM 707 CB SER A 47 -36.265 -16.244 22.158 1.00 0.00 C ATOM 708 OG SER A 47 -37.286 -16.791 21.333 1.00 0.00 O ATOM 0 H SER A 47 -34.755 -17.117 20.418 1.00 0.00 H new ATOM 0 HA SER A 47 -35.905 -14.526 20.929 1.00 0.00 H new ATOM 0 HB2 SER A 47 -35.696 -17.050 22.621 1.00 0.00 H new ATOM 0 HB3 SER A 47 -36.715 -15.667 22.966 1.00 0.00 H new ATOM 0 HG SER A 47 -37.873 -17.361 21.873 1.00 0.00 H new ATOM 714 N LYS A 48 -33.764 -15.559 23.221 1.00 0.00 N ATOM 715 CA LYS A 48 -32.693 -15.191 24.190 1.00 0.00 C ATOM 716 C LYS A 48 -33.061 -14.011 25.109 1.00 0.00 C ATOM 717 O LYS A 48 -32.695 -14.000 26.276 1.00 0.00 O ATOM 718 CB LYS A 48 -31.358 -14.900 23.489 1.00 0.00 C ATOM 719 CG LYS A 48 -30.160 -15.052 24.425 1.00 0.00 C ATOM 720 CD LYS A 48 -28.831 -14.834 23.726 1.00 0.00 C ATOM 721 CE LYS A 48 -28.566 -15.877 22.663 1.00 0.00 C ATOM 722 NZ LYS A 48 -27.279 -15.634 21.954 1.00 0.00 N ATOM 0 H LYS A 48 -34.124 -16.502 23.367 1.00 0.00 H new ATOM 0 HA LYS A 48 -32.583 -16.071 24.823 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -31.241 -15.576 22.642 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -31.375 -13.887 23.088 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -30.254 -14.340 25.245 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -30.174 -16.049 24.865 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -28.820 -13.843 23.271 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -28.027 -14.856 24.462 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -28.547 -16.866 23.122 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -29.383 -15.876 21.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -27.017 -16.481 21.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -27.386 -14.827 21.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -26.534 -15.425 22.649 1.00 0.00 H new ATOM 736 N ASP A 49 -33.795 -13.056 24.585 1.00 0.00 N ATOM 737 CA ASP A 49 -34.160 -11.845 25.313 1.00 0.00 C ATOM 738 C ASP A 49 -35.055 -12.163 26.509 1.00 0.00 C ATOM 739 O ASP A 49 -35.177 -11.370 27.442 1.00 0.00 O ATOM 740 CB ASP A 49 -34.856 -10.869 24.361 1.00 0.00 C ATOM 741 CG ASP A 49 -35.235 -9.564 25.019 1.00 0.00 C ATOM 742 OD1 ASP A 49 -34.326 -8.772 25.365 1.00 0.00 O ATOM 743 OD2 ASP A 49 -36.446 -9.304 25.178 1.00 0.00 O ATOM 0 H ASP A 49 -34.162 -13.091 23.634 1.00 0.00 H new ATOM 0 HA ASP A 49 -33.251 -11.385 25.701 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -34.199 -10.665 23.516 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -35.753 -11.340 23.960 1.00 0.00 H new ATOM 748 N ASP A 50 -35.683 -13.318 26.470 1.00 0.00 N ATOM 749 CA ASP A 50 -36.551 -13.748 27.545 1.00 0.00 C ATOM 750 C ASP A 50 -35.881 -14.815 28.429 1.00 0.00 C ATOM 751 O ASP A 50 -36.543 -15.450 29.257 1.00 0.00 O ATOM 752 CB ASP A 50 -37.896 -14.246 26.994 1.00 0.00 C ATOM 753 CG ASP A 50 -37.769 -15.392 26.011 1.00 0.00 C ATOM 754 OD1 ASP A 50 -37.087 -15.222 24.980 1.00 0.00 O ATOM 755 OD2 ASP A 50 -38.381 -16.458 26.251 1.00 0.00 O ATOM 0 H ASP A 50 -35.608 -13.981 25.699 1.00 0.00 H new ATOM 0 HA ASP A 50 -36.743 -12.882 28.179 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -38.524 -14.562 27.827 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -38.407 -13.416 26.506 1.00 0.00 H new ATOM 760 N PHE A 51 -34.568 -15.005 28.265 1.00 0.00 N ATOM 761 CA PHE A 51 -33.822 -15.974 29.084 1.00 0.00 C ATOM 762 C PHE A 51 -32.512 -15.366 29.607 1.00 0.00 C ATOM 763 O PHE A 51 -31.919 -14.510 28.962 1.00 0.00 O ATOM 764 CB PHE A 51 -33.474 -17.228 28.278 1.00 0.00 C ATOM 765 CG PHE A 51 -34.641 -17.963 27.685 1.00 0.00 C ATOM 766 CD1 PHE A 51 -35.409 -18.814 28.459 1.00 0.00 C ATOM 767 CD2 PHE A 51 -34.959 -17.809 26.347 1.00 0.00 C ATOM 768 CE1 PHE A 51 -36.475 -19.499 27.909 1.00 0.00 C ATOM 769 CE2 PHE A 51 -36.021 -18.493 25.790 1.00 0.00 C ATOM 770 CZ PHE A 51 -36.780 -19.339 26.573 1.00 0.00 C ATOM 0 H PHE A 51 -34.001 -14.507 27.579 1.00 0.00 H new ATOM 0 HA PHE A 51 -34.468 -16.239 29.921 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -32.799 -16.944 27.471 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -32.927 -17.914 28.925 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -35.173 -18.944 29.505 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -34.369 -17.146 25.731 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -37.069 -20.159 28.524 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -36.257 -18.366 24.744 1.00 0.00 H new ATOM 0 HZ PHE A 51 -37.612 -19.875 26.140 1.00 0.00 H new ATOM 780 N ILE A 52 -32.081 -15.811 30.782 1.00 0.00 N ATOM 781 CA ILE A 52 -30.790 -15.405 31.356 1.00 0.00 C ATOM 782 C ILE A 52 -30.119 -16.624 31.980 1.00 0.00 C ATOM 783 O ILE A 52 -30.746 -17.683 32.100 1.00 0.00 O ATOM 784 CB ILE A 52 -30.913 -14.286 32.436 1.00 0.00 C ATOM 785 CG1 ILE A 52 -31.751 -14.771 33.627 1.00 0.00 C ATOM 786 CG2 ILE A 52 -31.500 -13.013 31.838 1.00 0.00 C ATOM 787 CD1 ILE A 52 -31.768 -13.806 34.793 1.00 0.00 C ATOM 0 H ILE A 52 -32.609 -16.460 31.366 1.00 0.00 H new ATOM 0 HA ILE A 52 -30.196 -14.994 30.540 1.00 0.00 H new ATOM 0 HB ILE A 52 -29.912 -14.053 32.799 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -32.775 -14.942 33.294 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -31.362 -15.731 33.967 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -31.575 -12.249 32.612 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -30.853 -12.656 31.037 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -32.492 -13.223 31.438 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -32.380 -14.217 35.596 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -30.751 -13.653 35.154 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -32.186 -12.852 34.470 1.00 0.00 H new ATOM 799 N LEU A 53 -28.871 -16.490 32.380 1.00 0.00 N ATOM 800 CA LEU A 53 -28.164 -17.596 32.993 1.00 0.00 C ATOM 801 C LEU A 53 -28.135 -17.437 34.493 1.00 0.00 C ATOM 802 O LEU A 53 -27.943 -16.340 35.003 1.00 0.00 O ATOM 803 CB LEU A 53 -26.734 -17.706 32.463 1.00 0.00 C ATOM 804 CG LEU A 53 -26.586 -18.086 30.994 1.00 0.00 C ATOM 805 CD1 LEU A 53 -25.128 -18.021 30.580 1.00 0.00 C ATOM 806 CD2 LEU A 53 -27.139 -19.480 30.746 1.00 0.00 C ATOM 0 H LEU A 53 -28.328 -15.631 32.292 1.00 0.00 H new ATOM 0 HA LEU A 53 -28.699 -18.510 32.735 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -26.236 -16.749 32.621 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -26.203 -18.445 33.063 1.00 0.00 H new ATOM 0 HG LEU A 53 -27.155 -17.375 30.394 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -25.036 -18.295 29.529 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -24.753 -17.008 30.726 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -24.546 -18.714 31.188 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -27.025 -19.734 29.692 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -26.594 -20.201 31.355 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -28.195 -19.505 31.013 1.00 0.00 H new ATOM 818 N VAL A 54 -28.365 -18.518 35.198 1.00 0.00 N ATOM 819 CA VAL A 54 -28.308 -18.503 36.636 1.00 0.00 C ATOM 820 C VAL A 54 -27.313 -19.524 37.139 1.00 0.00 C ATOM 821 O VAL A 54 -27.321 -20.687 36.720 1.00 0.00 O ATOM 822 CB VAL A 54 -29.692 -18.738 37.302 1.00 0.00 C ATOM 823 CG1 VAL A 54 -30.616 -17.555 37.058 1.00 0.00 C ATOM 824 CG2 VAL A 54 -30.332 -20.023 36.802 1.00 0.00 C ATOM 0 H VAL A 54 -28.595 -19.426 34.793 1.00 0.00 H new ATOM 0 HA VAL A 54 -27.983 -17.502 36.920 1.00 0.00 H new ATOM 0 HB VAL A 54 -29.531 -18.836 38.376 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -31.579 -17.741 37.533 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -30.172 -16.653 37.480 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -30.760 -17.421 35.986 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -31.299 -20.160 37.286 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -30.472 -19.964 35.723 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -29.685 -20.868 37.038 1.00 0.00 H new ATOM 834 N GLU A 55 -26.443 -19.083 38.007 1.00 0.00 N ATOM 835 CA GLU A 55 -25.440 -19.937 38.594 1.00 0.00 C ATOM 836 C GLU A 55 -26.011 -20.599 39.843 1.00 0.00 C ATOM 837 O GLU A 55 -26.498 -19.915 40.739 1.00 0.00 O ATOM 838 CB GLU A 55 -24.181 -19.099 38.895 1.00 0.00 C ATOM 839 CG GLU A 55 -23.073 -19.816 39.638 1.00 0.00 C ATOM 840 CD GLU A 55 -23.272 -19.788 41.149 1.00 0.00 C ATOM 841 OE1 GLU A 55 -23.216 -18.690 41.745 1.00 0.00 O ATOM 842 OE2 GLU A 55 -23.501 -20.852 41.743 1.00 0.00 O ATOM 0 H GLU A 55 -26.408 -18.116 38.330 1.00 0.00 H new ATOM 0 HA GLU A 55 -25.153 -20.732 37.906 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -23.780 -18.729 37.951 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -24.479 -18.227 39.478 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -23.024 -20.851 39.300 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -22.117 -19.354 39.392 1.00 0.00 H new ATOM 849 N VAL A 56 -26.001 -21.929 39.860 1.00 0.00 N ATOM 850 CA VAL A 56 -26.533 -22.708 40.979 1.00 0.00 C ATOM 851 C VAL A 56 -25.595 -23.869 41.313 1.00 0.00 C ATOM 852 O VAL A 56 -25.088 -24.534 40.419 1.00 0.00 O ATOM 853 CB VAL A 56 -27.944 -23.287 40.655 1.00 0.00 C ATOM 854 CG1 VAL A 56 -28.472 -24.127 41.813 1.00 0.00 C ATOM 855 CG2 VAL A 56 -28.925 -22.177 40.318 1.00 0.00 C ATOM 0 H VAL A 56 -25.625 -22.498 39.101 1.00 0.00 H new ATOM 0 HA VAL A 56 -26.614 -22.032 41.831 1.00 0.00 H new ATOM 0 HB VAL A 56 -27.842 -23.932 39.782 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -29.457 -24.518 41.559 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -27.790 -24.956 42.002 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -28.546 -23.508 42.707 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -29.901 -22.609 40.096 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -29.013 -21.499 41.167 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -28.566 -21.626 39.449 1.00 0.00 H new ATOM 1112 N GLY A 73 -30.643 -19.040 41.074 1.00 0.00 N ATOM 1113 CA GLY A 73 -29.325 -18.858 41.606 1.00 0.00 C ATOM 1114 C GLY A 73 -28.873 -17.439 41.467 1.00 0.00 C ATOM 1115 O GLY A 73 -29.589 -16.508 41.841 1.00 0.00 O ATOM 0 HA2 GLY A 73 -29.312 -19.144 42.658 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -28.628 -19.516 41.088 1.00 0.00 H new ATOM 1119 N ARG A 74 -27.697 -17.265 40.932 1.00 0.00 N ATOM 1120 CA ARG A 74 -27.170 -15.953 40.699 1.00 0.00 C ATOM 1121 C ARG A 74 -27.519 -15.521 39.283 1.00 0.00 C ATOM 1122 O ARG A 74 -27.083 -16.151 38.322 1.00 0.00 O ATOM 1123 CB ARG A 74 -25.650 -15.946 40.917 1.00 0.00 C ATOM 1124 CG ARG A 74 -25.218 -15.756 42.377 1.00 0.00 C ATOM 1125 CD ARG A 74 -25.880 -16.753 43.335 1.00 0.00 C ATOM 1126 NE ARG A 74 -25.443 -18.139 43.117 1.00 0.00 N ATOM 1127 CZ ARG A 74 -26.008 -19.216 43.691 1.00 0.00 C ATOM 1128 NH1 ARG A 74 -27.040 -19.076 44.520 1.00 0.00 N ATOM 1129 NH2 ARG A 74 -25.535 -20.430 43.442 1.00 0.00 N ATOM 0 H ARG A 74 -27.080 -18.026 40.647 1.00 0.00 H new ATOM 0 HA ARG A 74 -27.611 -15.248 41.403 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -25.238 -16.886 40.549 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -25.213 -15.149 40.315 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -24.135 -15.860 42.446 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -25.462 -14.742 42.693 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -25.655 -16.465 44.362 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -26.962 -16.697 43.218 1.00 0.00 H new ATOM 0 HE ARG A 74 -24.657 -18.295 42.487 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -27.408 -18.147 44.724 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -27.463 -19.898 44.951 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -24.740 -20.549 42.814 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -25.966 -21.245 43.879 1.00 0.00 H new ATOM 1143 N PRO A 75 -28.355 -14.477 39.134 1.00 0.00 N ATOM 1144 CA PRO A 75 -28.763 -13.979 37.819 1.00 0.00 C ATOM 1145 C PRO A 75 -27.604 -13.316 37.089 1.00 0.00 C ATOM 1146 O PRO A 75 -27.081 -12.281 37.525 1.00 0.00 O ATOM 1147 CB PRO A 75 -29.865 -12.965 38.142 1.00 0.00 C ATOM 1148 CG PRO A 75 -29.582 -12.529 39.539 1.00 0.00 C ATOM 1149 CD PRO A 75 -28.967 -13.709 40.234 1.00 0.00 C ATOM 0 HA PRO A 75 -29.101 -14.776 37.157 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -29.842 -12.122 37.452 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -30.854 -13.416 38.061 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -28.904 -11.675 39.550 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -30.497 -12.216 40.041 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -28.224 -13.399 40.969 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -29.716 -14.297 40.766 1.00 0.00 H new ATOM 1157 N ILE A 76 -27.202 -13.920 35.992 1.00 0.00 N ATOM 1158 CA ILE A 76 -26.066 -13.462 35.223 1.00 0.00 C ATOM 1159 C ILE A 76 -26.473 -13.111 33.791 1.00 0.00 C ATOM 1160 O ILE A 76 -26.686 -13.999 32.959 1.00 0.00 O ATOM 1161 CB ILE A 76 -24.984 -14.556 35.186 1.00 0.00 C ATOM 1162 CG1 ILE A 76 -24.715 -15.064 36.605 1.00 0.00 C ATOM 1163 CG2 ILE A 76 -23.705 -14.020 34.559 1.00 0.00 C ATOM 1164 CD1 ILE A 76 -24.076 -16.422 36.657 1.00 0.00 C ATOM 0 H ILE A 76 -27.657 -14.748 35.606 1.00 0.00 H new ATOM 0 HA ILE A 76 -25.675 -12.566 35.704 1.00 0.00 H new ATOM 0 HB ILE A 76 -25.339 -15.386 34.575 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -24.071 -14.351 37.119 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -25.657 -15.096 37.153 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -22.951 -14.807 34.541 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -23.910 -13.690 33.540 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -23.337 -13.178 35.146 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -23.918 -16.710 37.696 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -24.728 -17.150 36.173 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -23.117 -16.393 36.139 1.00 0.00 H new ATOM 1176 N PRO A 77 -26.642 -11.815 33.507 1.00 0.00 N ATOM 1177 CA PRO A 77 -26.953 -11.320 32.158 1.00 0.00 C ATOM 1178 C PRO A 77 -25.868 -11.697 31.134 1.00 0.00 C ATOM 1179 O PRO A 77 -24.709 -11.927 31.496 1.00 0.00 O ATOM 1180 CB PRO A 77 -27.008 -9.802 32.351 1.00 0.00 C ATOM 1181 CG PRO A 77 -27.359 -9.646 33.783 1.00 0.00 C ATOM 1182 CD PRO A 77 -26.602 -10.724 34.485 1.00 0.00 C ATOM 0 HA PRO A 77 -27.874 -11.748 31.763 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -26.052 -9.333 32.119 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -27.754 -9.342 31.703 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -27.077 -8.660 34.153 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -28.433 -9.751 33.940 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -25.581 -10.421 34.716 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -27.072 -11.004 35.428 1.00 0.00 H new ATOM 1190 N PRO A 78 -26.236 -11.727 29.838 1.00 0.00 N ATOM 1191 CA PRO A 78 -25.343 -12.158 28.755 1.00 0.00 C ATOM 1192 C PRO A 78 -24.041 -11.345 28.643 1.00 0.00 C ATOM 1193 O PRO A 78 -23.033 -11.846 28.148 1.00 0.00 O ATOM 1194 CB PRO A 78 -26.169 -11.973 27.471 1.00 0.00 C ATOM 1195 CG PRO A 78 -27.451 -11.316 27.860 1.00 0.00 C ATOM 1196 CD PRO A 78 -27.578 -11.381 29.354 1.00 0.00 C ATOM 0 HA PRO A 78 -25.018 -13.182 28.940 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -25.627 -11.361 26.750 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -26.359 -12.935 26.994 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -27.465 -10.280 27.522 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -28.294 -11.817 27.385 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -27.911 -10.427 29.763 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -28.311 -12.130 29.655 1.00 0.00 H new ATOM 1204 N THR A 79 -24.056 -10.118 29.106 1.00 0.00 N ATOM 1205 CA THR A 79 -22.880 -9.255 28.986 1.00 0.00 C ATOM 1206 C THR A 79 -21.781 -9.608 30.014 1.00 0.00 C ATOM 1207 O THR A 79 -20.642 -9.142 29.897 1.00 0.00 O ATOM 1208 CB THR A 79 -23.254 -7.759 29.124 1.00 0.00 C ATOM 1209 OG1 THR A 79 -22.113 -6.933 28.831 1.00 0.00 O ATOM 1210 CG2 THR A 79 -23.753 -7.450 30.531 1.00 0.00 C ATOM 0 H THR A 79 -24.857 -9.687 29.568 1.00 0.00 H new ATOM 0 HA THR A 79 -22.481 -9.432 27.987 1.00 0.00 H new ATOM 0 HB THR A 79 -24.052 -7.545 28.413 1.00 0.00 H new ATOM 0 HG1 THR A 79 -21.294 -7.396 29.106 1.00 0.00 H new ATOM 0 HG21 THR A 79 -24.009 -6.393 30.602 1.00 0.00 H new ATOM 0 HG22 THR A 79 -24.636 -8.053 30.744 1.00 0.00 H new ATOM 0 HG23 THR A 79 -22.971 -7.683 31.254 1.00 0.00 H new ATOM 1218 N GLU A 80 -22.119 -10.423 31.000 1.00 0.00 N ATOM 1219 CA GLU A 80 -21.179 -10.777 32.062 1.00 0.00 C ATOM 1220 C GLU A 80 -20.410 -12.066 31.723 1.00 0.00 C ATOM 1221 O GLU A 80 -20.873 -12.880 30.934 1.00 0.00 O ATOM 1222 CB GLU A 80 -21.943 -10.936 33.387 1.00 0.00 C ATOM 1223 CG GLU A 80 -21.061 -11.227 34.587 1.00 0.00 C ATOM 1224 CD GLU A 80 -20.054 -10.135 34.836 1.00 0.00 C ATOM 1225 OE1 GLU A 80 -20.414 -9.124 35.479 1.00 0.00 O ATOM 1226 OE2 GLU A 80 -18.894 -10.276 34.387 1.00 0.00 O ATOM 0 H GLU A 80 -23.039 -10.855 31.091 1.00 0.00 H new ATOM 0 HA GLU A 80 -20.446 -9.976 32.160 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -22.507 -10.023 33.579 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -22.668 -11.743 33.280 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -21.685 -11.351 35.472 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -20.539 -12.171 34.431 1.00 0.00 H new ATOM 1233 N CYS A 81 -19.225 -12.229 32.314 1.00 0.00 N ATOM 1234 CA CYS A 81 -18.418 -13.436 32.123 1.00 0.00 C ATOM 1235 C CYS A 81 -18.261 -14.188 33.456 1.00 0.00 C ATOM 1236 O CYS A 81 -17.294 -13.974 34.194 1.00 0.00 O ATOM 1237 CB CYS A 81 -17.042 -13.089 31.541 1.00 0.00 C ATOM 1238 SG CYS A 81 -17.097 -12.358 29.891 1.00 0.00 S ATOM 0 H CYS A 81 -18.801 -11.537 32.932 1.00 0.00 H new ATOM 0 HA CYS A 81 -18.934 -14.082 31.413 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -16.539 -12.397 32.216 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -16.437 -13.995 31.505 1.00 0.00 H new ATOM 0 HG CYS A 81 -15.888 -12.100 29.490 1.00 0.00 H new ATOM 1244 N PRO A 82 -19.230 -15.058 33.788 1.00 0.00 N ATOM 1245 CA PRO A 82 -19.244 -15.791 35.065 1.00 0.00 C ATOM 1246 C PRO A 82 -18.156 -16.864 35.187 1.00 0.00 C ATOM 1247 O PRO A 82 -17.767 -17.229 36.295 1.00 0.00 O ATOM 1248 CB PRO A 82 -20.630 -16.441 35.088 1.00 0.00 C ATOM 1249 CG PRO A 82 -21.028 -16.562 33.654 1.00 0.00 C ATOM 1250 CD PRO A 82 -20.395 -15.399 32.942 1.00 0.00 C ATOM 0 HA PRO A 82 -19.044 -15.116 35.897 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -20.599 -17.417 35.572 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -21.342 -15.831 35.644 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -20.686 -17.508 33.234 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -22.113 -16.539 33.548 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -20.090 -15.667 31.931 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -21.085 -14.560 32.855 1.00 0.00 H new ATOM 1258 N LEU A 83 -17.643 -17.334 34.057 1.00 0.00 N ATOM 1259 CA LEU A 83 -16.674 -18.437 34.052 1.00 0.00 C ATOM 1260 C LEU A 83 -15.396 -18.098 34.787 1.00 0.00 C ATOM 1261 O LEU A 83 -14.830 -18.952 35.465 1.00 0.00 O ATOM 1262 CB LEU A 83 -16.359 -18.902 32.644 1.00 0.00 C ATOM 1263 CG LEU A 83 -17.512 -19.530 31.892 1.00 0.00 C ATOM 1264 CD1 LEU A 83 -17.074 -19.959 30.522 1.00 0.00 C ATOM 1265 CD2 LEU A 83 -18.082 -20.707 32.652 1.00 0.00 C ATOM 0 H LEU A 83 -17.877 -16.974 33.132 1.00 0.00 H new ATOM 0 HA LEU A 83 -17.154 -19.255 34.590 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -15.996 -18.049 32.071 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -15.544 -19.624 32.692 1.00 0.00 H new ATOM 0 HG LEU A 83 -18.296 -18.779 31.792 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -17.916 -20.409 29.995 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -16.719 -19.092 29.965 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -16.269 -20.689 30.609 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -18.909 -21.138 32.088 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -17.306 -21.460 32.792 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -18.442 -20.372 33.625 1.00 0.00 H new ATOM 1277 N PHE A 84 -14.940 -16.864 34.655 1.00 0.00 N ATOM 1278 CA PHE A 84 -13.722 -16.427 35.329 1.00 0.00 C ATOM 1279 C PHE A 84 -13.815 -16.670 36.822 1.00 0.00 C ATOM 1280 O PHE A 84 -12.891 -17.207 37.436 1.00 0.00 O ATOM 1281 CB PHE A 84 -13.472 -14.945 35.052 1.00 0.00 C ATOM 1282 CG PHE A 84 -12.733 -14.688 33.769 1.00 0.00 C ATOM 1283 CD1 PHE A 84 -13.400 -14.695 32.566 1.00 0.00 C ATOM 1284 CD2 PHE A 84 -11.369 -14.436 33.774 1.00 0.00 C ATOM 1285 CE1 PHE A 84 -12.733 -14.458 31.382 1.00 0.00 C ATOM 1286 CE2 PHE A 84 -10.690 -14.197 32.593 1.00 0.00 C ATOM 1287 CZ PHE A 84 -11.376 -14.209 31.393 1.00 0.00 C ATOM 0 H PHE A 84 -15.392 -16.146 34.089 1.00 0.00 H new ATOM 0 HA PHE A 84 -12.887 -17.008 34.939 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -14.429 -14.424 35.021 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -12.904 -14.520 35.880 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -14.462 -14.889 32.548 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -10.831 -14.426 34.711 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -13.273 -14.467 30.447 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -9.628 -14.002 32.608 1.00 0.00 H new ATOM 0 HZ PHE A 84 -10.852 -14.024 30.467 1.00 0.00 H new ATOM 1297 N GLU A 85 -14.932 -16.294 37.392 1.00 0.00 N ATOM 1298 CA GLU A 85 -15.167 -16.478 38.796 1.00 0.00 C ATOM 1299 C GLU A 85 -15.470 -17.943 39.129 1.00 0.00 C ATOM 1300 O GLU A 85 -14.943 -18.479 40.092 1.00 0.00 O ATOM 1301 CB GLU A 85 -16.294 -15.565 39.233 1.00 0.00 C ATOM 1302 CG GLU A 85 -15.950 -14.098 39.047 1.00 0.00 C ATOM 1303 CD GLU A 85 -14.813 -13.650 39.940 1.00 0.00 C ATOM 1304 OE1 GLU A 85 -14.925 -13.803 41.173 1.00 0.00 O ATOM 1305 OE2 GLU A 85 -13.809 -13.140 39.415 1.00 0.00 O ATOM 0 H GLU A 85 -15.703 -15.851 36.892 1.00 0.00 H new ATOM 0 HA GLU A 85 -14.263 -16.216 39.345 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -17.192 -15.801 38.662 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -16.525 -15.752 40.282 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -15.681 -13.921 38.006 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -16.832 -13.492 39.256 1.00 0.00 H new ATOM 1312 N MET A 86 -16.288 -18.596 38.300 1.00 0.00 N ATOM 1313 CA MET A 86 -16.672 -19.997 38.543 1.00 0.00 C ATOM 1314 C MET A 86 -15.450 -20.907 38.567 1.00 0.00 C ATOM 1315 O MET A 86 -15.289 -21.729 39.469 1.00 0.00 O ATOM 1316 CB MET A 86 -17.653 -20.488 37.460 1.00 0.00 C ATOM 1317 CG MET A 86 -19.007 -19.798 37.486 1.00 0.00 C ATOM 1318 SD MET A 86 -20.086 -20.331 36.136 1.00 0.00 S ATOM 1319 CE MET A 86 -20.347 -22.054 36.566 1.00 0.00 C ATOM 0 H MET A 86 -16.697 -18.185 37.460 1.00 0.00 H new ATOM 0 HA MET A 86 -17.159 -20.038 39.517 1.00 0.00 H new ATOM 0 HB2 MET A 86 -17.200 -20.337 36.480 1.00 0.00 H new ATOM 0 HB3 MET A 86 -17.802 -21.561 37.581 1.00 0.00 H new ATOM 0 HG2 MET A 86 -19.496 -20.001 38.439 1.00 0.00 H new ATOM 0 HG3 MET A 86 -18.862 -18.719 37.426 1.00 0.00 H new ATOM 0 HE1 MET A 86 -19.920 -22.691 35.791 1.00 0.00 H new ATOM 0 HE2 MET A 86 -19.864 -22.268 37.519 1.00 0.00 H new ATOM 0 HE3 MET A 86 -21.416 -22.250 36.649 1.00 0.00 H new ATOM 1329 N THR A 87 -14.587 -20.737 37.593 1.00 0.00 N ATOM 1330 CA THR A 87 -13.382 -21.533 37.485 1.00 0.00 C ATOM 1331 C THR A 87 -12.435 -21.265 38.666 1.00 0.00 C ATOM 1332 O THR A 87 -11.882 -22.190 39.250 1.00 0.00 O ATOM 1333 CB THR A 87 -12.667 -21.252 36.145 1.00 0.00 C ATOM 1334 OG1 THR A 87 -13.624 -21.332 35.078 1.00 0.00 O ATOM 1335 CG2 THR A 87 -11.557 -22.263 35.886 1.00 0.00 C ATOM 0 H THR A 87 -14.698 -20.044 36.853 1.00 0.00 H new ATOM 0 HA THR A 87 -13.668 -22.584 37.514 1.00 0.00 H new ATOM 0 HB THR A 87 -12.224 -20.257 36.195 1.00 0.00 H new ATOM 0 HG1 THR A 87 -14.074 -20.467 34.976 1.00 0.00 H new ATOM 0 HG21 THR A 87 -11.074 -22.037 34.935 1.00 0.00 H new ATOM 0 HG22 THR A 87 -10.821 -22.209 36.689 1.00 0.00 H new ATOM 0 HG23 THR A 87 -11.980 -23.267 35.848 1.00 0.00 H new ATOM 1495 N PHE A 100 -22.854 -25.072 38.897 1.00 0.00 N ATOM 1496 CA PHE A 100 -23.197 -25.224 37.505 1.00 0.00 C ATOM 1497 C PHE A 100 -23.931 -23.995 37.024 1.00 0.00 C ATOM 1498 O PHE A 100 -24.436 -23.202 37.825 1.00 0.00 O ATOM 1499 CB PHE A 100 -24.044 -26.486 37.240 1.00 0.00 C ATOM 1500 CG PHE A 100 -25.392 -26.504 37.916 1.00 0.00 C ATOM 1501 CD1 PHE A 100 -26.460 -25.785 37.386 1.00 0.00 C ATOM 1502 CD2 PHE A 100 -25.602 -27.261 39.058 1.00 0.00 C ATOM 1503 CE1 PHE A 100 -27.706 -25.821 37.989 1.00 0.00 C ATOM 1504 CE2 PHE A 100 -26.842 -27.296 39.665 1.00 0.00 C ATOM 1505 CZ PHE A 100 -27.894 -26.577 39.130 1.00 0.00 C ATOM 0 HA PHE A 100 -22.266 -25.342 36.950 1.00 0.00 H new ATOM 0 HB2 PHE A 100 -24.192 -26.586 36.165 1.00 0.00 H new ATOM 0 HB3 PHE A 100 -23.479 -27.359 37.566 1.00 0.00 H new ATOM 0 HD1 PHE A 100 -26.315 -25.193 36.495 1.00 0.00 H new ATOM 0 HD2 PHE A 100 -24.786 -27.830 39.478 1.00 0.00 H new ATOM 0 HE1 PHE A 100 -28.528 -25.260 37.569 1.00 0.00 H new ATOM 0 HE2 PHE A 100 -26.990 -27.885 40.558 1.00 0.00 H new ATOM 0 HZ PHE A 100 -28.864 -26.606 39.604 1.00 0.00 H new ATOM 1515 N LEU A 101 -23.990 -23.831 35.736 1.00 0.00 N ATOM 1516 CA LEU A 101 -24.647 -22.695 35.162 1.00 0.00 C ATOM 1517 C LEU A 101 -25.831 -23.160 34.330 1.00 0.00 C ATOM 1518 O LEU A 101 -25.687 -24.013 33.449 1.00 0.00 O ATOM 1519 CB LEU A 101 -23.648 -21.904 34.334 1.00 0.00 C ATOM 1520 CG LEU A 101 -24.117 -20.564 33.795 1.00 0.00 C ATOM 1521 CD1 LEU A 101 -24.609 -19.679 34.926 1.00 0.00 C ATOM 1522 CD2 LEU A 101 -22.970 -19.893 33.094 1.00 0.00 C ATOM 0 H LEU A 101 -23.587 -24.477 35.057 1.00 0.00 H new ATOM 0 HA LEU A 101 -25.029 -22.040 35.945 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -22.760 -21.734 34.943 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -23.341 -22.522 33.490 1.00 0.00 H new ATOM 0 HG LEU A 101 -24.940 -20.726 33.099 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -24.941 -18.723 34.522 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -25.441 -20.167 35.434 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -23.799 -19.511 35.635 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -23.296 -18.929 32.703 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -22.152 -19.741 33.798 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -22.628 -20.521 32.272 1.00 0.00 H new ATOM 1534 N ALA A 102 -26.993 -22.622 34.624 1.00 0.00 N ATOM 1535 CA ALA A 102 -28.210 -23.047 33.965 1.00 0.00 C ATOM 1536 C ALA A 102 -28.943 -21.881 33.327 1.00 0.00 C ATOM 1537 O ALA A 102 -28.595 -20.720 33.541 1.00 0.00 O ATOM 1538 CB ALA A 102 -29.106 -23.745 34.964 1.00 0.00 C ATOM 0 H ALA A 102 -27.122 -21.886 35.318 1.00 0.00 H new ATOM 0 HA ALA A 102 -27.940 -23.737 33.166 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -30.023 -24.065 34.469 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -28.590 -24.615 35.370 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -29.352 -23.058 35.774 1.00 0.00 H new ATOM 1544 N ILE A 103 -29.970 -22.201 32.553 1.00 0.00 N ATOM 1545 CA ILE A 103 -30.772 -21.195 31.871 1.00 0.00 C ATOM 1546 C ILE A 103 -32.085 -20.994 32.608 1.00 0.00 C ATOM 1547 O ILE A 103 -32.785 -21.961 32.920 1.00 0.00 O ATOM 1548 CB ILE A 103 -31.104 -21.621 30.419 1.00 0.00 C ATOM 1549 CG1 ILE A 103 -29.832 -21.895 29.625 1.00 0.00 C ATOM 1550 CG2 ILE A 103 -31.938 -20.548 29.723 1.00 0.00 C ATOM 1551 CD1 ILE A 103 -30.100 -22.447 28.242 1.00 0.00 C ATOM 0 H ILE A 103 -30.270 -23.160 32.380 1.00 0.00 H new ATOM 0 HA ILE A 103 -30.189 -20.274 31.853 1.00 0.00 H new ATOM 0 HB ILE A 103 -31.684 -22.543 30.465 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -29.261 -20.971 29.536 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -29.212 -22.601 30.177 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -32.161 -20.865 28.704 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -32.869 -20.400 30.269 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -31.379 -19.612 29.698 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -29.154 -22.620 27.730 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -30.645 -23.387 28.325 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -30.695 -21.732 27.674 1.00 0.00 H new ATOM 1563 N LYS A 104 -32.418 -19.754 32.892 1.00 0.00 N ATOM 1564 CA LYS A 104 -33.654 -19.455 33.567 1.00 0.00 C ATOM 1565 C LYS A 104 -34.470 -18.467 32.780 1.00 0.00 C ATOM 1566 O LYS A 104 -33.930 -17.607 32.075 1.00 0.00 O ATOM 1567 CB LYS A 104 -33.401 -18.934 34.976 1.00 0.00 C ATOM 1568 CG LYS A 104 -34.641 -18.648 35.780 1.00 0.00 C ATOM 1569 CD LYS A 104 -35.445 -19.902 35.990 1.00 0.00 C ATOM 1570 CE LYS A 104 -36.532 -19.690 37.006 1.00 0.00 C ATOM 1571 NZ LYS A 104 -37.483 -18.620 36.612 1.00 0.00 N ATOM 0 H LYS A 104 -31.848 -18.939 32.665 1.00 0.00 H new ATOM 0 HA LYS A 104 -34.219 -20.383 33.646 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -32.797 -19.665 35.514 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -32.811 -18.020 34.909 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -34.364 -18.223 36.745 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -35.249 -17.903 35.266 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -35.885 -20.217 35.044 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -34.788 -20.707 36.320 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -37.079 -20.622 37.147 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -36.082 -19.436 37.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -38.292 -18.617 37.265 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -37.004 -17.698 36.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -37.820 -18.794 35.644 1.00 0.00 H new ATOM 1585 N ARG A 105 -35.760 -18.594 32.903 1.00 0.00 N ATOM 1586 CA ARG A 105 -36.674 -17.716 32.221 1.00 0.00 C ATOM 1587 C ARG A 105 -36.772 -16.419 32.999 1.00 0.00 C ATOM 1588 O ARG A 105 -37.428 -16.364 34.044 1.00 0.00 O ATOM 1589 CB ARG A 105 -38.063 -18.354 32.141 1.00 0.00 C ATOM 1590 CG ARG A 105 -38.090 -19.733 31.505 1.00 0.00 C ATOM 1591 CD ARG A 105 -39.508 -20.265 31.442 1.00 0.00 C ATOM 1592 NE ARG A 105 -39.569 -21.665 31.022 1.00 0.00 N ATOM 1593 CZ ARG A 105 -40.546 -22.183 30.279 1.00 0.00 C ATOM 1594 NH1 ARG A 105 -41.490 -21.396 29.775 1.00 0.00 N ATOM 1595 NH2 ARG A 105 -40.568 -23.487 30.033 1.00 0.00 N ATOM 0 H ARG A 105 -36.210 -19.307 33.477 1.00 0.00 H new ATOM 0 HA ARG A 105 -36.310 -17.531 31.210 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -38.474 -18.425 33.148 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -38.719 -17.694 31.574 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -37.669 -19.684 30.501 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -37.465 -20.416 32.080 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -39.973 -20.164 32.422 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -40.089 -19.657 30.749 1.00 0.00 H new ATOM 0 HE ARG A 105 -38.815 -22.285 31.317 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -41.468 -20.393 29.957 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -42.237 -21.795 29.206 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -39.838 -24.090 30.413 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -41.315 -23.886 29.464 1.00 0.00 H new ATOM 1609 N LYS A 106 -36.093 -15.394 32.521 1.00 0.00 N ATOM 1610 CA LYS A 106 -36.122 -14.093 33.181 1.00 0.00 C ATOM 1611 C LYS A 106 -37.528 -13.486 33.169 1.00 0.00 C ATOM 1612 O LYS A 106 -38.341 -13.784 32.279 1.00 0.00 O ATOM 1613 CB LYS A 106 -35.137 -13.121 32.523 1.00 0.00 C ATOM 1614 CG LYS A 106 -35.325 -12.963 31.027 1.00 0.00 C ATOM 1615 CD LYS A 106 -34.697 -11.676 30.516 1.00 0.00 C ATOM 1616 CE LYS A 106 -35.622 -10.485 30.728 1.00 0.00 C ATOM 1617 NZ LYS A 106 -36.841 -10.573 29.876 1.00 0.00 N ATOM 0 H LYS A 106 -35.515 -15.431 31.681 1.00 0.00 H new ATOM 0 HA LYS A 106 -35.825 -14.255 34.217 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -35.238 -12.144 32.996 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -34.121 -13.465 32.716 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -34.881 -13.815 30.512 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -36.389 -12.968 30.791 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -33.752 -11.501 31.030 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -34.468 -11.777 29.455 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -35.914 -10.434 31.777 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -35.086 -9.563 30.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -37.296 -9.639 29.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -36.574 -10.882 28.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -37.505 -11.259 30.289 1.00 0.00 H new