USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 739 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 72 ASN : amide:sc= -4.01! C(o=-6.3!,f=-11!) USER MOD Set 1.2: A 84 TYR OH : rot -61:sc= -3.34! USER MOD Set 1.3: A 87 GLN : amide:sc= 1.03 K(o=-6.3,f=-7.5) USER MOD Single : A 6 CYS SG : rot 17:sc= 0.0123 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0215) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= 0.886 K(o=0.89,f=-4.3!) USER MOD Single : A 46 LYS NZ :NH3+ 166:sc= 1.29 (180deg=1.18) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 51 LYS NZ :NH3+ -147:sc= -1.79! (180deg=-3.77!) USER MOD Single : A 59 GLN : amide:sc= -2.14 K(o=-2.1,f=-1.1) USER MOD Single : A 62 SER OG : rot -169:sc= 0.272 USER MOD Single : A 85 GLN : amide:sc= -4.1! C(o=-4.1!,f=-0.74!) USER MOD Single : A 89 GLN : amide:sc= -0.256 X(o=-0.26,f=-0.067) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot -150:sc= 0.991 USER MOD Single : A 97 THR OG1 : rot -27:sc= 0.0711 USER MOD ----------------------------------------------------------------- ATOM 48 N LEU A 5 16.445 -1.220 3.421 1.00 0.43 N ATOM 49 CA LEU A 5 15.416 -0.578 4.221 1.00 0.45 C ATOM 50 C LEU A 5 14.193 -1.487 4.299 1.00 0.37 C ATOM 51 O LEU A 5 13.922 -2.253 3.371 1.00 0.42 O ATOM 52 CB LEU A 5 15.035 0.771 3.601 1.00 0.52 C ATOM 53 CG LEU A 5 14.283 0.675 2.276 1.00 0.60 C ATOM 54 CD1 LEU A 5 12.817 1.017 2.471 1.00 1.28 C ATOM 55 CD2 LEU A 5 14.912 1.568 1.223 1.00 1.27 C ATOM 0 HA LEU A 5 15.797 -0.403 5.227 1.00 0.45 H new ATOM 0 HB2 LEU A 5 14.420 1.322 4.313 1.00 0.52 H new ATOM 0 HB3 LEU A 5 15.943 1.354 3.446 1.00 0.52 H new ATOM 0 HG LEU A 5 14.352 -0.353 1.921 1.00 0.60 H new ATOM 0 HD11 LEU A 5 12.296 0.944 1.516 1.00 1.28 H new ATOM 0 HD12 LEU A 5 12.372 0.320 3.182 1.00 1.28 H new ATOM 0 HD13 LEU A 5 12.728 2.033 2.855 1.00 1.28 H new ATOM 0 HD21 LEU A 5 14.355 1.479 0.290 1.00 1.27 H new ATOM 0 HD22 LEU A 5 14.888 2.604 1.562 1.00 1.27 H new ATOM 0 HD23 LEU A 5 15.946 1.264 1.059 1.00 1.27 H new ATOM 67 N CYS A 6 13.462 -1.405 5.399 1.00 0.34 N ATOM 68 CA CYS A 6 12.291 -2.250 5.601 1.00 0.31 C ATOM 69 C CYS A 6 11.041 -1.390 5.683 1.00 0.24 C ATOM 70 O CYS A 6 11.026 -0.376 6.382 1.00 0.27 O ATOM 71 CB CYS A 6 12.444 -3.088 6.876 1.00 0.40 C ATOM 72 SG CYS A 6 11.118 -4.289 7.144 1.00 1.35 S ATOM 0 H CYS A 6 13.657 -0.763 6.167 1.00 0.34 H new ATOM 0 HA CYS A 6 12.200 -2.930 4.754 1.00 0.31 H new ATOM 0 HB2 CYS A 6 13.395 -3.618 6.836 1.00 0.40 H new ATOM 0 HB3 CYS A 6 12.489 -2.417 7.734 1.00 0.40 H new ATOM 0 HG CYS A 6 10.467 -4.472 6.034 1.00 1.35 H new ATOM 78 N VAL A 7 9.991 -1.791 4.979 1.00 0.24 N ATOM 79 CA VAL A 7 8.786 -0.983 4.925 1.00 0.25 C ATOM 80 C VAL A 7 7.633 -1.667 5.651 1.00 0.25 C ATOM 81 O VAL A 7 7.664 -2.877 5.909 1.00 0.31 O ATOM 82 CB VAL A 7 8.370 -0.652 3.472 1.00 0.28 C ATOM 83 CG1 VAL A 7 9.558 -0.138 2.679 1.00 0.64 C ATOM 84 CG2 VAL A 7 7.753 -1.852 2.777 1.00 0.61 C ATOM 0 H VAL A 7 9.951 -2.659 4.445 1.00 0.24 H new ATOM 0 HA VAL A 7 9.017 -0.045 5.430 1.00 0.25 H new ATOM 0 HB VAL A 7 7.612 0.130 3.520 1.00 0.28 H new ATOM 0 HG11 VAL A 7 9.245 0.089 1.660 1.00 0.64 H new ATOM 0 HG12 VAL A 7 9.946 0.766 3.149 1.00 0.64 H new ATOM 0 HG13 VAL A 7 10.338 -0.899 2.658 1.00 0.64 H new ATOM 0 HG21 VAL A 7 7.474 -1.579 1.759 1.00 0.61 H new ATOM 0 HG22 VAL A 7 8.476 -2.668 2.749 1.00 0.61 H new ATOM 0 HG23 VAL A 7 6.866 -2.172 3.323 1.00 0.61 H new ATOM 94 N LYS A 8 6.628 -0.879 5.984 1.00 0.26 N ATOM 95 CA LYS A 8 5.466 -1.358 6.706 1.00 0.28 C ATOM 96 C LYS A 8 4.214 -1.105 5.878 1.00 0.28 C ATOM 97 O LYS A 8 4.083 -0.055 5.263 1.00 0.38 O ATOM 98 CB LYS A 8 5.357 -0.621 8.041 1.00 0.35 C ATOM 99 CG LYS A 8 4.314 -1.192 8.986 1.00 0.61 C ATOM 100 CD LYS A 8 3.973 -0.218 10.103 1.00 0.86 C ATOM 101 CE LYS A 8 5.214 0.316 10.806 1.00 1.08 C ATOM 102 NZ LYS A 8 5.980 -0.746 11.514 1.00 1.61 N ATOM 0 H LYS A 8 6.595 0.116 5.760 1.00 0.26 H new ATOM 0 HA LYS A 8 5.567 -2.428 6.890 1.00 0.28 H new ATOM 0 HB2 LYS A 8 6.328 -0.642 8.535 1.00 0.35 H new ATOM 0 HB3 LYS A 8 5.121 0.425 7.847 1.00 0.35 H new ATOM 0 HG2 LYS A 8 3.411 -1.435 8.427 1.00 0.61 H new ATOM 0 HG3 LYS A 8 4.683 -2.123 9.415 1.00 0.61 H new ATOM 0 HD2 LYS A 8 3.404 0.616 9.693 1.00 0.86 H new ATOM 0 HD3 LYS A 8 3.331 -0.714 10.831 1.00 0.86 H new ATOM 0 HE2 LYS A 8 5.862 0.797 10.073 1.00 1.08 H new ATOM 0 HE3 LYS A 8 4.918 1.083 11.522 1.00 1.08 H new ATOM 0 HZ1 LYS A 8 6.813 -0.326 11.974 1.00 1.61 H new ATOM 0 HZ2 LYS A 8 5.374 -1.190 12.234 1.00 1.61 H new ATOM 0 HZ3 LYS A 8 6.289 -1.466 10.830 1.00 1.61 H new ATOM 116 N VAL A 9 3.304 -2.061 5.856 1.00 0.25 N ATOM 117 CA VAL A 9 2.046 -1.895 5.139 1.00 0.26 C ATOM 118 C VAL A 9 0.884 -2.209 6.072 1.00 0.23 C ATOM 119 O VAL A 9 0.895 -3.237 6.739 1.00 0.27 O ATOM 120 CB VAL A 9 1.975 -2.810 3.895 1.00 0.30 C ATOM 121 CG1 VAL A 9 0.661 -2.616 3.156 1.00 0.89 C ATOM 122 CG2 VAL A 9 3.150 -2.549 2.963 1.00 0.77 C ATOM 0 H VAL A 9 3.409 -2.961 6.325 1.00 0.25 H new ATOM 0 HA VAL A 9 1.985 -0.861 4.799 1.00 0.26 H new ATOM 0 HB VAL A 9 2.029 -3.844 4.236 1.00 0.30 H new ATOM 0 HG11 VAL A 9 0.634 -3.270 2.284 1.00 0.89 H new ATOM 0 HG12 VAL A 9 -0.169 -2.860 3.819 1.00 0.89 H new ATOM 0 HG13 VAL A 9 0.575 -1.578 2.834 1.00 0.89 H new ATOM 0 HG21 VAL A 9 3.078 -3.204 2.095 1.00 0.77 H new ATOM 0 HG22 VAL A 9 3.131 -1.510 2.635 1.00 0.77 H new ATOM 0 HG23 VAL A 9 4.083 -2.746 3.490 1.00 0.77 H new ATOM 132 N GLU A 10 -0.088 -1.314 6.160 1.00 0.21 N ATOM 133 CA GLU A 10 -1.248 -1.546 7.015 1.00 0.23 C ATOM 134 C GLU A 10 -2.512 -0.940 6.400 1.00 0.25 C ATOM 135 O GLU A 10 -2.438 -0.076 5.524 1.00 0.26 O ATOM 136 CB GLU A 10 -0.991 -0.979 8.418 1.00 0.28 C ATOM 137 CG GLU A 10 -2.066 -1.318 9.438 1.00 0.37 C ATOM 138 CD GLU A 10 -1.741 -0.786 10.819 1.00 0.48 C ATOM 139 OE1 GLU A 10 -2.004 0.409 11.083 1.00 1.08 O ATOM 140 OE2 GLU A 10 -1.221 -1.558 11.648 1.00 0.99 O ATOM 0 H GLU A 10 -0.100 -0.427 5.656 1.00 0.21 H new ATOM 0 HA GLU A 10 -1.407 -2.621 7.100 1.00 0.23 H new ATOM 0 HB2 GLU A 10 -0.033 -1.355 8.779 1.00 0.28 H new ATOM 0 HB3 GLU A 10 -0.902 0.105 8.348 1.00 0.28 H new ATOM 0 HG2 GLU A 10 -3.019 -0.905 9.108 1.00 0.37 H new ATOM 0 HG3 GLU A 10 -2.187 -2.400 9.488 1.00 0.37 H new ATOM 147 N PHE A 11 -3.668 -1.410 6.857 1.00 0.30 N ATOM 148 CA PHE A 11 -4.953 -0.898 6.400 1.00 0.34 C ATOM 149 C PHE A 11 -5.686 -0.229 7.557 1.00 0.34 C ATOM 150 O PHE A 11 -5.715 -0.762 8.664 1.00 0.74 O ATOM 151 CB PHE A 11 -5.786 -2.037 5.820 1.00 0.74 C ATOM 152 CG PHE A 11 -5.096 -2.734 4.688 1.00 2.12 C ATOM 153 CD1 PHE A 11 -4.958 -2.111 3.461 1.00 2.89 C ATOM 154 CD2 PHE A 11 -4.574 -4.004 4.854 1.00 2.77 C ATOM 155 CE1 PHE A 11 -4.308 -2.741 2.420 1.00 4.21 C ATOM 156 CE2 PHE A 11 -3.925 -4.641 3.817 1.00 4.09 C ATOM 157 CZ PHE A 11 -3.791 -4.008 2.600 1.00 4.80 C ATOM 0 H PHE A 11 -3.740 -2.153 7.552 1.00 0.30 H new ATOM 0 HA PHE A 11 -4.790 -0.155 5.619 1.00 0.34 H new ATOM 0 HB2 PHE A 11 -6.006 -2.759 6.607 1.00 0.74 H new ATOM 0 HB3 PHE A 11 -6.741 -1.644 5.472 1.00 0.74 H new ATOM 0 HD1 PHE A 11 -5.364 -1.121 3.316 1.00 2.89 H new ATOM 0 HD2 PHE A 11 -4.676 -4.503 5.807 1.00 2.77 H new ATOM 0 HE1 PHE A 11 -4.204 -2.244 1.467 1.00 4.21 H new ATOM 0 HE2 PHE A 11 -3.523 -5.633 3.958 1.00 4.09 H new ATOM 0 HZ PHE A 11 -3.281 -4.504 1.787 1.00 4.80 H new ATOM 167 N GLY A 12 -6.275 0.934 7.303 1.00 0.23 N ATOM 168 CA GLY A 12 -6.839 1.716 8.390 1.00 0.39 C ATOM 169 C GLY A 12 -8.250 2.216 8.138 1.00 0.28 C ATOM 170 O GLY A 12 -9.115 2.078 9.001 1.00 0.34 O ATOM 0 H GLY A 12 -6.372 1.347 6.375 1.00 0.23 H new ATOM 0 HA2 GLY A 12 -6.838 1.110 9.296 1.00 0.39 H new ATOM 0 HA3 GLY A 12 -6.192 2.572 8.579 1.00 0.39 H new ATOM 174 N GLY A 13 -8.488 2.797 6.962 1.00 0.24 N ATOM 175 CA GLY A 13 -9.785 3.406 6.671 1.00 0.26 C ATOM 176 C GLY A 13 -10.872 2.386 6.395 1.00 0.29 C ATOM 177 O GLY A 13 -11.502 2.426 5.345 1.00 0.45 O ATOM 0 H GLY A 13 -7.808 2.859 6.204 1.00 0.24 H new ATOM 0 HA2 GLY A 13 -10.085 4.029 7.514 1.00 0.26 H new ATOM 0 HA3 GLY A 13 -9.685 4.064 5.808 1.00 0.26 H new ATOM 181 N GLY A 14 -11.085 1.463 7.325 1.00 0.28 N ATOM 182 CA GLY A 14 -12.040 0.390 7.108 1.00 0.35 C ATOM 183 C GLY A 14 -11.591 -0.536 5.998 1.00 0.36 C ATOM 184 O GLY A 14 -12.329 -1.424 5.574 1.00 0.41 O ATOM 0 H GLY A 14 -10.612 1.438 8.229 1.00 0.28 H new ATOM 0 HA2 GLY A 14 -12.165 -0.179 8.029 1.00 0.35 H new ATOM 0 HA3 GLY A 14 -13.013 0.813 6.859 1.00 0.35 H new ATOM 188 N ALA A 15 -10.358 -0.334 5.547 1.00 0.35 N ATOM 189 CA ALA A 15 -9.816 -1.063 4.417 1.00 0.39 C ATOM 190 C ALA A 15 -9.655 -2.539 4.742 1.00 0.39 C ATOM 191 O ALA A 15 -9.789 -3.385 3.871 1.00 0.42 O ATOM 192 CB ALA A 15 -8.490 -0.448 3.991 1.00 0.44 C ATOM 0 H ALA A 15 -9.711 0.339 5.957 1.00 0.35 H new ATOM 0 HA ALA A 15 -10.518 -0.988 3.587 1.00 0.39 H new ATOM 0 HB1 ALA A 15 -8.089 -1.001 3.142 1.00 0.44 H new ATOM 0 HB2 ALA A 15 -8.646 0.592 3.706 1.00 0.44 H new ATOM 0 HB3 ALA A 15 -7.784 -0.495 4.820 1.00 0.44 H new ATOM 198 N GLU A 16 -9.400 -2.843 6.007 1.00 0.38 N ATOM 199 CA GLU A 16 -9.220 -4.223 6.438 1.00 0.38 C ATOM 200 C GLU A 16 -10.479 -5.044 6.198 1.00 0.36 C ATOM 201 O GLU A 16 -10.399 -6.244 5.978 1.00 0.37 O ATOM 202 CB GLU A 16 -8.834 -4.288 7.915 1.00 0.45 C ATOM 203 CG GLU A 16 -9.850 -3.604 8.819 1.00 0.57 C ATOM 204 CD GLU A 16 -9.529 -3.707 10.294 1.00 1.19 C ATOM 205 OE1 GLU A 16 -9.418 -4.846 10.798 1.00 1.54 O ATOM 206 OE2 GLU A 16 -9.365 -2.660 10.951 1.00 1.60 O ATOM 0 H GLU A 16 -9.313 -2.153 6.753 1.00 0.38 H new ATOM 0 HA GLU A 16 -8.411 -4.646 5.843 1.00 0.38 H new ATOM 0 HB2 GLU A 16 -8.732 -5.331 8.214 1.00 0.45 H new ATOM 0 HB3 GLU A 16 -7.859 -3.820 8.052 1.00 0.45 H new ATOM 0 HG2 GLU A 16 -9.915 -2.551 8.544 1.00 0.57 H new ATOM 0 HG3 GLU A 16 -10.832 -4.041 8.640 1.00 0.57 H new ATOM 213 N LEU A 17 -11.640 -4.396 6.228 1.00 0.35 N ATOM 214 CA LEU A 17 -12.909 -5.086 6.007 1.00 0.37 C ATOM 215 C LEU A 17 -12.999 -5.603 4.571 1.00 0.36 C ATOM 216 O LEU A 17 -13.845 -6.433 4.244 1.00 0.41 O ATOM 217 CB LEU A 17 -14.080 -4.153 6.314 1.00 0.39 C ATOM 218 CG LEU A 17 -14.150 -3.661 7.761 1.00 0.41 C ATOM 219 CD1 LEU A 17 -15.335 -2.729 7.953 1.00 0.88 C ATOM 220 CD2 LEU A 17 -14.246 -4.839 8.717 1.00 0.83 C ATOM 0 H LEU A 17 -11.729 -3.395 6.403 1.00 0.35 H new ATOM 0 HA LEU A 17 -12.959 -5.941 6.681 1.00 0.37 H new ATOM 0 HB2 LEU A 17 -14.019 -3.288 5.654 1.00 0.39 H new ATOM 0 HB3 LEU A 17 -15.010 -4.670 6.076 1.00 0.39 H new ATOM 0 HG LEU A 17 -13.237 -3.107 7.979 1.00 0.41 H new ATOM 0 HD11 LEU A 17 -15.367 -2.390 8.988 1.00 0.88 H new ATOM 0 HD12 LEU A 17 -15.232 -1.868 7.292 1.00 0.88 H new ATOM 0 HD13 LEU A 17 -16.257 -3.259 7.716 1.00 0.88 H new ATOM 0 HD21 LEU A 17 -14.295 -4.472 9.742 1.00 0.83 H new ATOM 0 HD22 LEU A 17 -15.144 -5.416 8.495 1.00 0.83 H new ATOM 0 HD23 LEU A 17 -13.368 -5.475 8.601 1.00 0.83 H new ATOM 232 N LEU A 18 -12.106 -5.110 3.725 1.00 0.35 N ATOM 233 CA LEU A 18 -11.998 -5.569 2.347 1.00 0.39 C ATOM 234 C LEU A 18 -11.185 -6.854 2.310 1.00 0.42 C ATOM 235 O LEU A 18 -11.234 -7.627 1.350 1.00 0.49 O ATOM 236 CB LEU A 18 -11.312 -4.492 1.510 1.00 0.38 C ATOM 237 CG LEU A 18 -11.983 -3.115 1.562 1.00 0.42 C ATOM 238 CD1 LEU A 18 -11.067 -2.051 0.992 1.00 0.47 C ATOM 239 CD2 LEU A 18 -13.297 -3.130 0.801 1.00 0.49 C ATOM 0 H LEU A 18 -11.437 -4.382 3.974 1.00 0.35 H new ATOM 0 HA LEU A 18 -12.991 -5.761 1.939 1.00 0.39 H new ATOM 0 HB2 LEU A 18 -10.280 -4.391 1.847 1.00 0.38 H new ATOM 0 HB3 LEU A 18 -11.277 -4.825 0.473 1.00 0.38 H new ATOM 0 HG LEU A 18 -12.186 -2.879 2.607 1.00 0.42 H new ATOM 0 HD11 LEU A 18 -11.563 -1.081 1.038 1.00 0.47 H new ATOM 0 HD12 LEU A 18 -10.145 -2.016 1.572 1.00 0.47 H new ATOM 0 HD13 LEU A 18 -10.833 -2.290 -0.046 1.00 0.47 H new ATOM 0 HD21 LEU A 18 -13.757 -2.143 0.850 1.00 0.49 H new ATOM 0 HD22 LEU A 18 -13.111 -3.392 -0.241 1.00 0.49 H new ATOM 0 HD23 LEU A 18 -13.967 -3.865 1.246 1.00 0.49 H new ATOM 251 N PHE A 19 -10.435 -7.065 3.383 1.00 0.39 N ATOM 252 CA PHE A 19 -9.564 -8.218 3.518 1.00 0.47 C ATOM 253 C PHE A 19 -9.993 -9.057 4.722 1.00 0.60 C ATOM 254 O PHE A 19 -9.205 -9.812 5.285 1.00 0.97 O ATOM 255 CB PHE A 19 -8.125 -7.740 3.688 1.00 0.45 C ATOM 256 CG PHE A 19 -7.739 -6.669 2.703 1.00 0.43 C ATOM 257 CD1 PHE A 19 -7.331 -7.000 1.423 1.00 0.42 C ATOM 258 CD2 PHE A 19 -7.778 -5.333 3.056 1.00 0.71 C ATOM 259 CE1 PHE A 19 -6.972 -6.024 0.519 1.00 0.52 C ATOM 260 CE2 PHE A 19 -7.422 -4.352 2.154 1.00 0.75 C ATOM 261 CZ PHE A 19 -7.031 -4.688 0.890 1.00 0.59 C ATOM 0 H PHE A 19 -10.416 -6.437 4.186 1.00 0.39 H new ATOM 0 HA PHE A 19 -9.633 -8.838 2.624 1.00 0.47 H new ATOM 0 HB2 PHE A 19 -7.992 -7.359 4.701 1.00 0.45 H new ATOM 0 HB3 PHE A 19 -7.451 -8.589 3.576 1.00 0.45 H new ATOM 0 HD1 PHE A 19 -7.293 -8.038 1.128 1.00 0.42 H new ATOM 0 HD2 PHE A 19 -8.091 -5.054 4.051 1.00 0.71 H new ATOM 0 HE1 PHE A 19 -6.646 -6.297 -0.474 1.00 0.52 H new ATOM 0 HE2 PHE A 19 -7.453 -3.314 2.449 1.00 0.75 H new ATOM 0 HZ PHE A 19 -6.768 -3.917 0.181 1.00 0.59 H new ATOM 271 N ASP A 20 -11.260 -8.898 5.095 1.00 0.55 N ATOM 272 CA ASP A 20 -11.877 -9.615 6.222 1.00 0.69 C ATOM 273 C ASP A 20 -11.123 -9.387 7.541 1.00 0.72 C ATOM 274 O ASP A 20 -11.086 -10.257 8.411 1.00 1.07 O ATOM 275 CB ASP A 20 -11.976 -11.111 5.921 1.00 0.80 C ATOM 276 CG ASP A 20 -13.124 -11.772 6.658 1.00 1.16 C ATOM 277 OD1 ASP A 20 -14.282 -11.627 6.208 1.00 1.55 O ATOM 278 OD2 ASP A 20 -12.884 -12.439 7.680 1.00 1.28 O ATOM 0 H ASP A 20 -11.900 -8.261 4.621 1.00 0.55 H new ATOM 0 HA ASP A 20 -12.881 -9.208 6.346 1.00 0.69 H new ATOM 0 HB2 ASP A 20 -12.105 -11.256 4.848 1.00 0.80 H new ATOM 0 HB3 ASP A 20 -11.041 -11.598 6.198 1.00 0.80 H new ATOM 283 N GLY A 21 -10.543 -8.208 7.695 1.00 0.57 N ATOM 284 CA GLY A 21 -9.919 -7.849 8.953 1.00 0.59 C ATOM 285 C GLY A 21 -8.415 -8.028 8.953 1.00 0.59 C ATOM 286 O GLY A 21 -7.814 -8.244 10.005 1.00 0.79 O ATOM 0 H GLY A 21 -10.492 -7.491 6.971 1.00 0.57 H new ATOM 0 HA2 GLY A 21 -10.153 -6.810 9.182 1.00 0.59 H new ATOM 0 HA3 GLY A 21 -10.349 -8.456 9.749 1.00 0.59 H new ATOM 290 N VAL A 22 -7.803 -7.954 7.781 1.00 0.51 N ATOM 291 CA VAL A 22 -6.348 -7.961 7.687 1.00 0.53 C ATOM 292 C VAL A 22 -5.838 -6.531 7.584 1.00 0.45 C ATOM 293 O VAL A 22 -6.292 -5.768 6.734 1.00 0.47 O ATOM 294 CB VAL A 22 -5.846 -8.778 6.477 1.00 0.68 C ATOM 295 CG1 VAL A 22 -4.326 -8.727 6.387 1.00 1.02 C ATOM 296 CG2 VAL A 22 -6.323 -10.218 6.576 1.00 1.41 C ATOM 0 H VAL A 22 -8.286 -7.889 6.885 1.00 0.51 H new ATOM 0 HA VAL A 22 -5.961 -8.437 8.588 1.00 0.53 H new ATOM 0 HB VAL A 22 -6.258 -8.336 5.570 1.00 0.68 H new ATOM 0 HG11 VAL A 22 -3.993 -9.309 5.528 1.00 1.02 H new ATOM 0 HG12 VAL A 22 -4.003 -7.692 6.272 1.00 1.02 H new ATOM 0 HG13 VAL A 22 -3.893 -9.143 7.297 1.00 1.02 H new ATOM 0 HG21 VAL A 22 -5.961 -10.781 5.716 1.00 1.41 H new ATOM 0 HG22 VAL A 22 -5.938 -10.667 7.492 1.00 1.41 H new ATOM 0 HG23 VAL A 22 -7.413 -10.240 6.592 1.00 1.41 H new ATOM 306 N LYS A 23 -4.915 -6.166 8.461 1.00 0.48 N ATOM 307 CA LYS A 23 -4.413 -4.804 8.502 1.00 0.52 C ATOM 308 C LYS A 23 -2.913 -4.747 8.235 1.00 0.40 C ATOM 309 O LYS A 23 -2.470 -4.332 7.169 1.00 0.37 O ATOM 310 CB LYS A 23 -4.682 -4.173 9.866 1.00 0.75 C ATOM 311 CG LYS A 23 -6.147 -4.012 10.203 1.00 0.85 C ATOM 312 CD LYS A 23 -6.325 -3.290 11.526 1.00 1.06 C ATOM 313 CE LYS A 23 -5.643 -1.931 11.512 1.00 1.11 C ATOM 314 NZ LYS A 23 -5.829 -1.198 12.788 1.00 2.07 N ATOM 0 H LYS A 23 -4.501 -6.793 9.151 1.00 0.48 H new ATOM 0 HA LYS A 23 -4.936 -4.252 7.721 1.00 0.52 H new ATOM 0 HB2 LYS A 23 -4.210 -4.785 10.635 1.00 0.75 H new ATOM 0 HB3 LYS A 23 -4.204 -3.194 9.900 1.00 0.75 H new ATOM 0 HG2 LYS A 23 -6.647 -3.455 9.411 1.00 0.85 H new ATOM 0 HG3 LYS A 23 -6.622 -4.992 10.253 1.00 0.85 H new ATOM 0 HD2 LYS A 23 -7.388 -3.163 11.733 1.00 1.06 H new ATOM 0 HD3 LYS A 23 -5.913 -3.897 12.332 1.00 1.06 H new ATOM 0 HE2 LYS A 23 -4.578 -2.063 11.323 1.00 1.11 H new ATOM 0 HE3 LYS A 23 -6.041 -1.335 10.691 1.00 1.11 H new ATOM 0 HZ1 LYS A 23 -5.348 -0.278 12.733 1.00 2.07 H new ATOM 0 HZ2 LYS A 23 -6.844 -1.048 12.957 1.00 2.07 H new ATOM 0 HZ3 LYS A 23 -5.426 -1.753 13.569 1.00 2.07 H new ATOM 328 N LYS A 24 -2.152 -5.170 9.234 1.00 0.38 N ATOM 329 CA LYS A 24 -0.706 -5.011 9.252 1.00 0.33 C ATOM 330 C LYS A 24 0.012 -6.080 8.433 1.00 0.34 C ATOM 331 O LYS A 24 -0.358 -7.255 8.441 1.00 0.47 O ATOM 332 CB LYS A 24 -0.225 -5.054 10.703 1.00 0.43 C ATOM 333 CG LYS A 24 1.260 -4.794 10.878 1.00 0.49 C ATOM 334 CD LYS A 24 1.649 -4.830 12.346 1.00 0.66 C ATOM 335 CE LYS A 24 3.126 -4.541 12.542 1.00 1.04 C ATOM 336 NZ LYS A 24 3.988 -5.644 12.045 1.00 1.59 N ATOM 0 H LYS A 24 -2.524 -5.637 10.061 1.00 0.38 H new ATOM 0 HA LYS A 24 -0.467 -4.051 8.794 1.00 0.33 H new ATOM 0 HB2 LYS A 24 -0.781 -4.315 11.280 1.00 0.43 H new ATOM 0 HB3 LYS A 24 -0.463 -6.031 11.123 1.00 0.43 H new ATOM 0 HG2 LYS A 24 1.831 -5.542 10.328 1.00 0.49 H new ATOM 0 HG3 LYS A 24 1.515 -3.823 10.454 1.00 0.49 H new ATOM 0 HD2 LYS A 24 1.059 -4.098 12.897 1.00 0.66 H new ATOM 0 HD3 LYS A 24 1.411 -5.809 12.762 1.00 0.66 H new ATOM 0 HE2 LYS A 24 3.385 -3.618 12.023 1.00 1.04 H new ATOM 0 HE3 LYS A 24 3.324 -4.377 13.601 1.00 1.04 H new ATOM 0 HZ1 LYS A 24 4.983 -5.432 12.262 1.00 1.59 H new ATOM 0 HZ2 LYS A 24 3.715 -6.534 12.509 1.00 1.59 H new ATOM 0 HZ3 LYS A 24 3.871 -5.740 11.016 1.00 1.59 H new ATOM 350 N HIS A 25 1.042 -5.644 7.724 1.00 0.29 N ATOM 351 CA HIS A 25 1.905 -6.522 6.956 1.00 0.34 C ATOM 352 C HIS A 25 3.311 -5.925 6.928 1.00 0.34 C ATOM 353 O HIS A 25 3.468 -4.702 6.882 1.00 0.43 O ATOM 354 CB HIS A 25 1.359 -6.675 5.528 1.00 0.42 C ATOM 355 CG HIS A 25 1.998 -7.773 4.733 1.00 0.69 C ATOM 356 ND1 HIS A 25 1.468 -9.040 4.657 1.00 1.46 N ATOM 357 CD2 HIS A 25 3.110 -7.787 3.961 1.00 1.39 C ATOM 358 CE1 HIS A 25 2.224 -9.787 3.876 1.00 1.58 C ATOM 359 NE2 HIS A 25 3.229 -9.051 3.437 1.00 1.44 N ATOM 0 H HIS A 25 1.303 -4.660 7.666 1.00 0.29 H new ATOM 0 HA HIS A 25 1.938 -7.509 7.417 1.00 0.34 H new ATOM 0 HB2 HIS A 25 0.286 -6.859 5.581 1.00 0.42 H new ATOM 0 HB3 HIS A 25 1.495 -5.733 4.997 1.00 0.42 H new ATOM 0 HD2 HIS A 25 3.780 -6.957 3.789 1.00 1.39 H new ATOM 0 HE1 HIS A 25 2.050 -10.826 3.636 1.00 1.58 H new ATOM 0 HE2 HIS A 25 3.970 -9.369 2.813 1.00 1.44 H new ATOM 368 N GLN A 26 4.329 -6.766 6.977 1.00 0.36 N ATOM 369 CA GLN A 26 5.700 -6.280 6.917 1.00 0.38 C ATOM 370 C GLN A 26 6.436 -6.927 5.755 1.00 0.33 C ATOM 371 O GLN A 26 6.274 -8.118 5.495 1.00 0.47 O ATOM 372 CB GLN A 26 6.442 -6.558 8.227 1.00 0.54 C ATOM 373 CG GLN A 26 7.808 -5.890 8.299 1.00 0.67 C ATOM 374 CD GLN A 26 8.536 -6.163 9.600 1.00 1.12 C ATOM 375 OE1 GLN A 26 9.296 -7.123 9.714 1.00 1.84 O ATOM 376 NE2 GLN A 26 8.307 -5.319 10.593 1.00 1.59 N ATOM 0 H GLN A 26 4.237 -7.779 7.057 1.00 0.36 H new ATOM 0 HA GLN A 26 5.669 -5.201 6.765 1.00 0.38 H new ATOM 0 HB2 GLN A 26 5.832 -6.213 9.062 1.00 0.54 H new ATOM 0 HB3 GLN A 26 6.565 -7.635 8.345 1.00 0.54 H new ATOM 0 HG2 GLN A 26 8.420 -6.238 7.467 1.00 0.67 H new ATOM 0 HG3 GLN A 26 7.686 -4.814 8.177 1.00 0.67 H new ATOM 0 HE21 GLN A 26 7.669 -4.534 10.459 1.00 1.59 H new ATOM 0 HE22 GLN A 26 8.768 -5.453 11.493 1.00 1.59 H new ATOM 385 N VAL A 27 7.228 -6.137 5.050 1.00 0.29 N ATOM 386 CA VAL A 27 8.006 -6.646 3.938 1.00 0.29 C ATOM 387 C VAL A 27 9.346 -5.914 3.853 1.00 0.28 C ATOM 388 O VAL A 27 9.412 -4.686 3.956 1.00 0.31 O ATOM 389 CB VAL A 27 7.222 -6.543 2.607 1.00 0.35 C ATOM 390 CG1 VAL A 27 6.848 -5.104 2.285 1.00 0.44 C ATOM 391 CG2 VAL A 27 8.002 -7.177 1.465 1.00 0.44 C ATOM 0 H VAL A 27 7.348 -5.140 5.230 1.00 0.29 H new ATOM 0 HA VAL A 27 8.203 -7.704 4.113 1.00 0.29 H new ATOM 0 HB VAL A 27 6.293 -7.099 2.730 1.00 0.35 H new ATOM 0 HG11 VAL A 27 6.299 -5.073 1.344 1.00 0.44 H new ATOM 0 HG12 VAL A 27 6.223 -4.703 3.083 1.00 0.44 H new ATOM 0 HG13 VAL A 27 7.754 -4.504 2.197 1.00 0.44 H new ATOM 0 HG21 VAL A 27 7.429 -7.091 0.542 1.00 0.44 H new ATOM 0 HG22 VAL A 27 8.957 -6.665 1.348 1.00 0.44 H new ATOM 0 HG23 VAL A 27 8.179 -8.230 1.686 1.00 0.44 H new ATOM 401 N ALA A 28 10.410 -6.682 3.709 1.00 0.31 N ATOM 402 CA ALA A 28 11.757 -6.139 3.708 1.00 0.33 C ATOM 403 C ALA A 28 12.347 -6.126 2.302 1.00 0.28 C ATOM 404 O ALA A 28 12.187 -7.090 1.546 1.00 0.29 O ATOM 405 CB ALA A 28 12.633 -6.957 4.642 1.00 0.41 C ATOM 0 H ALA A 28 10.367 -7.694 3.590 1.00 0.31 H new ATOM 0 HA ALA A 28 11.716 -5.108 4.058 1.00 0.33 H new ATOM 0 HB1 ALA A 28 13.644 -6.550 4.642 1.00 0.41 H new ATOM 0 HB2 ALA A 28 12.225 -6.916 5.652 1.00 0.41 H new ATOM 0 HB3 ALA A 28 12.659 -7.993 4.303 1.00 0.41 H new ATOM 411 N LEU A 29 13.028 -5.035 1.950 1.00 0.28 N ATOM 412 CA LEU A 29 13.674 -4.929 0.648 1.00 0.28 C ATOM 413 C LEU A 29 14.852 -5.887 0.546 1.00 0.32 C ATOM 414 O LEU A 29 15.654 -6.001 1.473 1.00 0.36 O ATOM 415 CB LEU A 29 14.161 -3.502 0.376 1.00 0.35 C ATOM 416 CG LEU A 29 13.086 -2.483 0.010 1.00 0.38 C ATOM 417 CD1 LEU A 29 13.732 -1.171 -0.389 1.00 1.13 C ATOM 418 CD2 LEU A 29 12.223 -3.001 -1.123 1.00 1.04 C ATOM 0 H LEU A 29 13.145 -4.217 2.548 1.00 0.28 H new ATOM 0 HA LEU A 29 12.926 -5.193 -0.100 1.00 0.28 H new ATOM 0 HB2 LEU A 29 14.685 -3.144 1.262 1.00 0.35 H new ATOM 0 HB3 LEU A 29 14.890 -3.537 -0.434 1.00 0.35 H new ATOM 0 HG LEU A 29 12.452 -2.320 0.881 1.00 0.38 H new ATOM 0 HD11 LEU A 29 12.958 -0.449 -0.649 1.00 1.13 H new ATOM 0 HD12 LEU A 29 14.321 -0.788 0.444 1.00 1.13 H new ATOM 0 HD13 LEU A 29 14.382 -1.332 -1.249 1.00 1.13 H new ATOM 0 HD21 LEU A 29 11.463 -2.260 -1.369 1.00 1.04 H new ATOM 0 HD22 LEU A 29 12.845 -3.187 -1.998 1.00 1.04 H new ATOM 0 HD23 LEU A 29 11.740 -3.929 -0.817 1.00 1.04 H new ATOM 430 N PRO A 30 14.955 -6.591 -0.587 1.00 0.38 N ATOM 431 CA PRO A 30 16.067 -7.505 -0.866 1.00 0.53 C ATOM 432 C PRO A 30 17.428 -6.806 -0.842 1.00 0.76 C ATOM 433 O PRO A 30 18.407 -7.354 -0.332 1.00 1.64 O ATOM 434 CB PRO A 30 15.757 -8.018 -2.277 1.00 0.52 C ATOM 435 CG PRO A 30 14.291 -7.833 -2.434 1.00 0.51 C ATOM 436 CD PRO A 30 13.969 -6.580 -1.679 1.00 0.41 C ATOM 0 HA PRO A 30 16.142 -8.290 -0.114 1.00 0.53 H new ATOM 0 HB2 PRO A 30 16.309 -7.458 -3.032 1.00 0.52 H new ATOM 0 HB3 PRO A 30 16.038 -9.065 -2.388 1.00 0.52 H new ATOM 0 HG2 PRO A 30 14.016 -7.741 -3.485 1.00 0.51 H new ATOM 0 HG3 PRO A 30 13.742 -8.685 -2.034 1.00 0.51 H new ATOM 0 HD2 PRO A 30 14.070 -5.694 -2.305 1.00 0.41 H new ATOM 0 HD3 PRO A 30 12.947 -6.588 -1.300 1.00 0.41 H new ATOM 483 N GLU A 34 15.097 -3.276 -4.808 1.00 0.54 N ATOM 484 CA GLU A 34 13.932 -2.580 -4.245 1.00 0.56 C ATOM 485 C GLU A 34 12.691 -2.718 -5.133 1.00 0.48 C ATOM 486 O GLU A 34 12.220 -1.739 -5.706 1.00 0.58 O ATOM 487 CB GLU A 34 14.248 -1.099 -4.024 1.00 0.72 C ATOM 488 CG GLU A 34 15.614 -0.854 -3.406 1.00 0.96 C ATOM 489 CD GLU A 34 15.974 0.613 -3.336 1.00 1.55 C ATOM 490 OE1 GLU A 34 15.943 1.292 -4.387 1.00 2.31 O ATOM 491 OE2 GLU A 34 16.314 1.092 -2.235 1.00 1.97 O ATOM 0 HA GLU A 34 13.710 -3.052 -3.288 1.00 0.56 H new ATOM 0 HB2 GLU A 34 14.192 -0.578 -4.980 1.00 0.72 H new ATOM 0 HB3 GLU A 34 13.484 -0.665 -3.379 1.00 0.72 H new ATOM 0 HG2 GLU A 34 15.633 -1.276 -2.401 1.00 0.96 H new ATOM 0 HG3 GLU A 34 16.370 -1.381 -3.988 1.00 0.96 H new ATOM 498 N PRO A 35 12.140 -3.936 -5.255 1.00 0.41 N ATOM 499 CA PRO A 35 10.983 -4.199 -6.103 1.00 0.40 C ATOM 500 C PRO A 35 9.664 -4.089 -5.346 1.00 0.35 C ATOM 501 O PRO A 35 8.607 -4.452 -5.858 1.00 0.39 O ATOM 502 CB PRO A 35 11.225 -5.642 -6.524 1.00 0.48 C ATOM 503 CG PRO A 35 11.903 -6.272 -5.348 1.00 0.50 C ATOM 504 CD PRO A 35 12.600 -5.163 -4.590 1.00 0.46 C ATOM 0 HA PRO A 35 10.894 -3.487 -6.924 1.00 0.40 H new ATOM 0 HB2 PRO A 35 10.289 -6.148 -6.759 1.00 0.48 H new ATOM 0 HB3 PRO A 35 11.849 -5.695 -7.416 1.00 0.48 H new ATOM 0 HG2 PRO A 35 11.178 -6.778 -4.710 1.00 0.50 H new ATOM 0 HG3 PRO A 35 12.620 -7.025 -5.675 1.00 0.50 H new ATOM 0 HD2 PRO A 35 12.330 -5.170 -3.534 1.00 0.46 H new ATOM 0 HD3 PRO A 35 13.684 -5.263 -4.643 1.00 0.46 H new ATOM 512 N TRP A 36 9.732 -3.582 -4.128 1.00 0.30 N ATOM 513 CA TRP A 36 8.570 -3.547 -3.252 1.00 0.27 C ATOM 514 C TRP A 36 7.868 -2.200 -3.313 1.00 0.24 C ATOM 515 O TRP A 36 7.331 -1.726 -2.311 1.00 0.25 O ATOM 516 CB TRP A 36 8.985 -3.878 -1.813 1.00 0.28 C ATOM 517 CG TRP A 36 9.463 -5.294 -1.641 1.00 0.29 C ATOM 518 CD1 TRP A 36 10.356 -5.741 -0.712 1.00 0.32 C ATOM 519 CD2 TRP A 36 9.085 -6.447 -2.419 1.00 0.31 C ATOM 520 NE1 TRP A 36 10.552 -7.092 -0.854 1.00 0.34 N ATOM 521 CE2 TRP A 36 9.784 -7.549 -1.890 1.00 0.34 C ATOM 522 CE3 TRP A 36 8.222 -6.660 -3.505 1.00 0.35 C ATOM 523 CZ2 TRP A 36 9.652 -8.836 -2.406 1.00 0.38 C ATOM 524 CZ3 TRP A 36 8.094 -7.940 -4.013 1.00 0.41 C ATOM 525 CH2 TRP A 36 8.803 -9.012 -3.462 1.00 0.42 C ATOM 0 H TRP A 36 10.580 -3.188 -3.721 1.00 0.30 H new ATOM 0 HA TRP A 36 7.862 -4.300 -3.597 1.00 0.27 H new ATOM 0 HB2 TRP A 36 9.776 -3.195 -1.505 1.00 0.28 H new ATOM 0 HB3 TRP A 36 8.138 -3.705 -1.149 1.00 0.28 H new ATOM 0 HD1 TRP A 36 10.839 -5.121 0.029 1.00 0.32 H new ATOM 0 HE1 TRP A 36 11.171 -7.664 -0.279 1.00 0.34 H new ATOM 0 HE3 TRP A 36 7.668 -5.839 -3.936 1.00 0.35 H new ATOM 0 HZ2 TRP A 36 10.201 -9.666 -1.986 1.00 0.38 H new ATOM 0 HZ3 TRP A 36 7.435 -8.115 -4.850 1.00 0.41 H new ATOM 0 HH2 TRP A 36 8.677 -10.000 -3.880 1.00 0.42 H new ATOM 536 N ASP A 37 7.873 -1.594 -4.497 1.00 0.24 N ATOM 537 CA ASP A 37 7.208 -0.314 -4.715 1.00 0.21 C ATOM 538 C ASP A 37 5.743 -0.411 -4.322 1.00 0.21 C ATOM 539 O ASP A 37 5.154 -1.496 -4.352 1.00 0.24 O ATOM 540 CB ASP A 37 7.292 0.124 -6.183 1.00 0.25 C ATOM 541 CG ASP A 37 8.643 -0.135 -6.820 1.00 0.82 C ATOM 542 OD1 ASP A 37 9.042 -1.316 -6.918 1.00 1.21 O ATOM 543 OD2 ASP A 37 9.282 0.835 -7.271 1.00 1.59 O ATOM 0 H ASP A 37 8.334 -1.972 -5.325 1.00 0.24 H new ATOM 0 HA ASP A 37 7.719 0.425 -4.097 1.00 0.21 H new ATOM 0 HB2 ASP A 37 6.525 -0.400 -6.754 1.00 0.25 H new ATOM 0 HB3 ASP A 37 7.067 1.189 -6.249 1.00 0.25 H new ATOM 548 N ILE A 38 5.152 0.725 -3.985 1.00 0.20 N ATOM 549 CA ILE A 38 3.767 0.765 -3.521 1.00 0.20 C ATOM 550 C ILE A 38 2.840 0.126 -4.553 1.00 0.20 C ATOM 551 O ILE A 38 1.917 -0.606 -4.209 1.00 0.23 O ATOM 552 CB ILE A 38 3.305 2.219 -3.234 1.00 0.20 C ATOM 553 CG1 ILE A 38 4.396 2.991 -2.476 1.00 0.20 C ATOM 554 CG2 ILE A 38 2.006 2.218 -2.437 1.00 0.23 C ATOM 555 CD1 ILE A 38 4.902 2.309 -1.217 1.00 0.24 C ATOM 0 H ILE A 38 5.609 1.636 -4.023 1.00 0.20 H new ATOM 0 HA ILE A 38 3.717 0.200 -2.590 1.00 0.20 H new ATOM 0 HB ILE A 38 3.127 2.717 -4.187 1.00 0.20 H new ATOM 0 HG12 ILE A 38 5.239 3.154 -3.148 1.00 0.20 H new ATOM 0 HG13 ILE A 38 4.007 3.973 -2.209 1.00 0.20 H new ATOM 0 HG21 ILE A 38 1.696 3.245 -2.245 1.00 0.23 H new ATOM 0 HG22 ILE A 38 1.230 1.706 -3.006 1.00 0.23 H new ATOM 0 HG23 ILE A 38 2.161 1.702 -1.489 1.00 0.23 H new ATOM 0 HD11 ILE A 38 5.669 2.928 -0.751 1.00 0.24 H new ATOM 0 HD12 ILE A 38 4.075 2.170 -0.521 1.00 0.24 H new ATOM 0 HD13 ILE A 38 5.326 1.338 -1.474 1.00 0.24 H new ATOM 567 N ARG A 39 3.124 0.387 -5.823 1.00 0.19 N ATOM 568 CA ARG A 39 2.360 -0.181 -6.925 1.00 0.20 C ATOM 569 C ARG A 39 2.425 -1.716 -6.929 1.00 0.19 C ATOM 570 O ARG A 39 1.412 -2.381 -7.123 1.00 0.25 O ATOM 571 CB ARG A 39 2.864 0.391 -8.255 1.00 0.31 C ATOM 572 CG ARG A 39 4.375 0.322 -8.419 1.00 0.99 C ATOM 573 CD ARG A 39 4.793 -0.805 -9.342 1.00 1.11 C ATOM 574 NE ARG A 39 4.557 -0.470 -10.743 1.00 1.63 N ATOM 575 CZ ARG A 39 4.466 -1.366 -11.721 1.00 2.06 C ATOM 576 NH1 ARG A 39 4.581 -2.662 -11.454 1.00 2.03 N ATOM 577 NH2 ARG A 39 4.252 -0.955 -12.965 1.00 2.62 N ATOM 0 H ARG A 39 3.888 0.996 -6.117 1.00 0.19 H new ATOM 0 HA ARG A 39 1.314 0.095 -6.792 1.00 0.20 H new ATOM 0 HB2 ARG A 39 2.394 -0.152 -9.075 1.00 0.31 H new ATOM 0 HB3 ARG A 39 2.546 1.430 -8.337 1.00 0.31 H new ATOM 0 HG2 ARG A 39 4.741 1.270 -8.814 1.00 0.99 H new ATOM 0 HG3 ARG A 39 4.840 0.183 -7.443 1.00 0.99 H new ATOM 0 HD2 ARG A 39 5.850 -1.024 -9.193 1.00 1.11 H new ATOM 0 HD3 ARG A 39 4.241 -1.709 -9.086 1.00 1.11 H new ATOM 0 HE ARG A 39 4.455 0.515 -10.987 1.00 1.63 H new ATOM 0 HH11 ARG A 39 4.740 -2.973 -10.496 1.00 2.03 H new ATOM 0 HH12 ARG A 39 4.511 -3.346 -12.207 1.00 2.03 H new ATOM 0 HH21 ARG A 39 4.159 0.041 -13.164 1.00 2.62 H new ATOM 0 HH22 ARG A 39 4.181 -1.635 -13.722 1.00 2.62 H new ATOM 591 N ASN A 40 3.616 -2.274 -6.698 1.00 0.17 N ATOM 592 CA ASN A 40 3.801 -3.725 -6.689 1.00 0.18 C ATOM 593 C ASN A 40 3.134 -4.348 -5.474 1.00 0.18 C ATOM 594 O ASN A 40 2.524 -5.414 -5.561 1.00 0.22 O ATOM 595 CB ASN A 40 5.293 -4.058 -6.704 1.00 0.22 C ATOM 596 CG ASN A 40 5.936 -3.738 -8.039 1.00 0.40 C ATOM 597 OD1 ASN A 40 5.385 -4.036 -9.100 1.00 0.69 O ATOM 598 ND2 ASN A 40 7.071 -3.070 -7.998 1.00 0.59 N ATOM 0 H ASN A 40 4.466 -1.741 -6.515 1.00 0.17 H new ATOM 0 HA ASN A 40 3.333 -4.140 -7.582 1.00 0.18 H new ATOM 0 HB2 ASN A 40 5.797 -3.498 -5.916 1.00 0.22 H new ATOM 0 HB3 ASN A 40 5.430 -5.116 -6.481 1.00 0.22 H new ATOM 0 HD21 ASN A 40 7.524 -2.781 -8.865 1.00 0.59 H new ATOM 0 HD22 ASN A 40 7.496 -2.842 -7.099 1.00 0.59 H new ATOM 605 N LEU A 41 3.243 -3.671 -4.344 1.00 0.18 N ATOM 606 CA LEU A 41 2.636 -4.146 -3.109 1.00 0.19 C ATOM 607 C LEU A 41 1.125 -4.085 -3.193 1.00 0.19 C ATOM 608 O LEU A 41 0.429 -4.949 -2.664 1.00 0.21 O ATOM 609 CB LEU A 41 3.145 -3.329 -1.925 1.00 0.21 C ATOM 610 CG LEU A 41 4.368 -3.917 -1.232 1.00 0.26 C ATOM 611 CD1 LEU A 41 3.959 -5.120 -0.395 1.00 0.32 C ATOM 612 CD2 LEU A 41 5.415 -4.329 -2.255 1.00 0.29 C ATOM 0 H LEU A 41 3.747 -2.789 -4.254 1.00 0.18 H new ATOM 0 HA LEU A 41 2.921 -5.188 -2.961 1.00 0.19 H new ATOM 0 HB2 LEU A 41 3.387 -2.324 -2.270 1.00 0.21 H new ATOM 0 HB3 LEU A 41 2.341 -3.231 -1.195 1.00 0.21 H new ATOM 0 HG LEU A 41 4.799 -3.156 -0.582 1.00 0.26 H new ATOM 0 HD11 LEU A 41 4.838 -5.536 0.098 1.00 0.32 H new ATOM 0 HD12 LEU A 41 3.234 -4.810 0.357 1.00 0.32 H new ATOM 0 HD13 LEU A 41 3.512 -5.877 -1.040 1.00 0.32 H new ATOM 0 HD21 LEU A 41 6.281 -4.747 -1.741 1.00 0.29 H new ATOM 0 HD22 LEU A 41 4.994 -5.079 -2.925 1.00 0.29 H new ATOM 0 HD23 LEU A 41 5.722 -3.457 -2.833 1.00 0.29 H new ATOM 624 N LEU A 42 0.628 -3.064 -3.870 1.00 0.19 N ATOM 625 CA LEU A 42 -0.793 -2.938 -4.137 1.00 0.23 C ATOM 626 C LEU A 42 -1.297 -4.167 -4.878 1.00 0.21 C ATOM 627 O LEU A 42 -2.379 -4.672 -4.596 1.00 0.26 O ATOM 628 CB LEU A 42 -1.049 -1.669 -4.953 1.00 0.30 C ATOM 629 CG LEU A 42 -2.486 -1.450 -5.427 1.00 0.47 C ATOM 630 CD1 LEU A 42 -2.736 0.025 -5.616 1.00 0.91 C ATOM 631 CD2 LEU A 42 -2.748 -2.180 -6.734 1.00 0.82 C ATOM 0 H LEU A 42 1.194 -2.304 -4.247 1.00 0.19 H new ATOM 0 HA LEU A 42 -1.335 -2.864 -3.194 1.00 0.23 H new ATOM 0 HB2 LEU A 42 -0.752 -0.810 -4.352 1.00 0.30 H new ATOM 0 HB3 LEU A 42 -0.399 -1.687 -5.828 1.00 0.30 H new ATOM 0 HG LEU A 42 -3.161 -1.848 -4.669 1.00 0.47 H new ATOM 0 HD11 LEU A 42 -3.761 0.180 -5.954 1.00 0.91 H new ATOM 0 HD12 LEU A 42 -2.584 0.544 -4.670 1.00 0.91 H new ATOM 0 HD13 LEU A 42 -2.045 0.419 -6.361 1.00 0.91 H new ATOM 0 HD21 LEU A 42 -3.777 -2.007 -7.048 1.00 0.82 H new ATOM 0 HD22 LEU A 42 -2.068 -1.809 -7.501 1.00 0.82 H new ATOM 0 HD23 LEU A 42 -2.587 -3.249 -6.592 1.00 0.82 H new ATOM 643 N VAL A 43 -0.498 -4.641 -5.822 1.00 0.20 N ATOM 644 CA VAL A 43 -0.845 -5.821 -6.595 1.00 0.22 C ATOM 645 C VAL A 43 -0.928 -7.028 -5.683 1.00 0.22 C ATOM 646 O VAL A 43 -1.895 -7.783 -5.732 1.00 0.24 O ATOM 647 CB VAL A 43 0.187 -6.097 -7.708 1.00 0.27 C ATOM 648 CG1 VAL A 43 -0.182 -7.342 -8.499 1.00 0.31 C ATOM 649 CG2 VAL A 43 0.315 -4.894 -8.623 1.00 0.32 C ATOM 0 H VAL A 43 0.399 -4.223 -6.071 1.00 0.20 H new ATOM 0 HA VAL A 43 -1.812 -5.636 -7.063 1.00 0.22 H new ATOM 0 HB VAL A 43 1.154 -6.276 -7.238 1.00 0.27 H new ATOM 0 HG11 VAL A 43 0.562 -7.513 -9.277 1.00 0.31 H new ATOM 0 HG12 VAL A 43 -0.212 -8.202 -7.830 1.00 0.31 H new ATOM 0 HG13 VAL A 43 -1.161 -7.205 -8.958 1.00 0.31 H new ATOM 0 HG21 VAL A 43 1.047 -5.106 -9.402 1.00 0.32 H new ATOM 0 HG22 VAL A 43 -0.651 -4.681 -9.081 1.00 0.32 H new ATOM 0 HG23 VAL A 43 0.641 -4.030 -8.044 1.00 0.32 H new ATOM 659 N TRP A 44 0.083 -7.190 -4.842 1.00 0.23 N ATOM 660 CA TRP A 44 0.094 -8.266 -3.865 1.00 0.27 C ATOM 661 C TRP A 44 -1.171 -8.196 -3.014 1.00 0.28 C ATOM 662 O TRP A 44 -1.853 -9.198 -2.793 1.00 0.33 O ATOM 663 CB TRP A 44 1.334 -8.160 -2.968 1.00 0.31 C ATOM 664 CG TRP A 44 1.473 -9.313 -2.024 1.00 0.41 C ATOM 665 CD1 TRP A 44 0.886 -9.446 -0.798 1.00 0.45 C ATOM 666 CD2 TRP A 44 2.247 -10.496 -2.231 1.00 0.54 C ATOM 667 NE1 TRP A 44 1.236 -10.650 -0.237 1.00 0.56 N ATOM 668 CE2 TRP A 44 2.077 -11.310 -1.096 1.00 0.61 C ATOM 669 CE3 TRP A 44 3.065 -10.947 -3.269 1.00 0.65 C ATOM 670 CZ2 TRP A 44 2.696 -12.550 -0.971 1.00 0.76 C ATOM 671 CZ3 TRP A 44 3.680 -12.178 -3.145 1.00 0.81 C ATOM 672 CH2 TRP A 44 3.492 -12.967 -2.004 1.00 0.85 C ATOM 0 H TRP A 44 0.907 -6.589 -4.817 1.00 0.23 H new ATOM 0 HA TRP A 44 0.125 -9.221 -4.390 1.00 0.27 H new ATOM 0 HB2 TRP A 44 2.224 -8.101 -3.594 1.00 0.31 H new ATOM 0 HB3 TRP A 44 1.284 -7.233 -2.396 1.00 0.31 H new ATOM 0 HD1 TRP A 44 0.241 -8.712 -0.337 1.00 0.45 H new ATOM 0 HE1 TRP A 44 0.922 -10.996 0.670 1.00 0.56 H new ATOM 0 HE3 TRP A 44 3.214 -10.344 -4.153 1.00 0.65 H new ATOM 0 HZ2 TRP A 44 2.554 -13.161 -0.092 1.00 0.76 H new ATOM 0 HZ3 TRP A 44 4.316 -12.537 -3.941 1.00 0.81 H new ATOM 0 HH2 TRP A 44 3.986 -13.925 -1.937 1.00 0.85 H new ATOM 683 N ILE A 45 -1.485 -6.992 -2.572 1.00 0.26 N ATOM 684 CA ILE A 45 -2.646 -6.746 -1.737 1.00 0.29 C ATOM 685 C ILE A 45 -3.945 -7.055 -2.485 1.00 0.31 C ATOM 686 O ILE A 45 -4.777 -7.821 -2.011 1.00 0.37 O ATOM 687 CB ILE A 45 -2.644 -5.282 -1.246 1.00 0.31 C ATOM 688 CG1 ILE A 45 -1.543 -5.078 -0.200 1.00 0.36 C ATOM 689 CG2 ILE A 45 -4.001 -4.886 -0.689 1.00 0.36 C ATOM 690 CD1 ILE A 45 -1.332 -3.629 0.188 1.00 0.47 C ATOM 0 H ILE A 45 -0.941 -6.155 -2.783 1.00 0.26 H new ATOM 0 HA ILE A 45 -2.591 -7.412 -0.876 1.00 0.29 H new ATOM 0 HB ILE A 45 -2.439 -4.635 -2.099 1.00 0.31 H new ATOM 0 HG12 ILE A 45 -1.792 -5.651 0.693 1.00 0.36 H new ATOM 0 HG13 ILE A 45 -0.607 -5.481 -0.587 1.00 0.36 H new ATOM 0 HG21 ILE A 45 -3.968 -3.850 -0.352 1.00 0.36 H new ATOM 0 HG22 ILE A 45 -4.758 -4.990 -1.466 1.00 0.36 H new ATOM 0 HG23 ILE A 45 -4.252 -5.533 0.151 1.00 0.36 H new ATOM 0 HD11 ILE A 45 -0.538 -3.563 0.932 1.00 0.47 H new ATOM 0 HD12 ILE A 45 -1.052 -3.053 -0.694 1.00 0.47 H new ATOM 0 HD13 ILE A 45 -2.255 -3.226 0.606 1.00 0.47 H new ATOM 702 N LYS A 46 -4.098 -6.479 -3.664 1.00 0.29 N ATOM 703 CA LYS A 46 -5.336 -6.611 -4.422 1.00 0.35 C ATOM 704 C LYS A 46 -5.509 -8.026 -4.965 1.00 0.39 C ATOM 705 O LYS A 46 -6.498 -8.700 -4.676 1.00 0.44 O ATOM 706 CB LYS A 46 -5.361 -5.610 -5.583 1.00 0.39 C ATOM 707 CG LYS A 46 -6.764 -5.331 -6.099 1.00 0.91 C ATOM 708 CD LYS A 46 -6.781 -4.243 -7.160 1.00 0.91 C ATOM 709 CE LYS A 46 -8.208 -3.927 -7.589 1.00 1.26 C ATOM 710 NZ LYS A 46 -8.271 -2.863 -8.623 1.00 1.93 N ATOM 0 H LYS A 46 -3.382 -5.914 -4.120 1.00 0.29 H new ATOM 0 HA LYS A 46 -6.161 -6.400 -3.742 1.00 0.35 H new ATOM 0 HB2 LYS A 46 -4.907 -4.674 -5.258 1.00 0.39 H new ATOM 0 HB3 LYS A 46 -4.750 -5.994 -6.400 1.00 0.39 H new ATOM 0 HG2 LYS A 46 -7.185 -6.247 -6.514 1.00 0.91 H new ATOM 0 HG3 LYS A 46 -7.403 -5.034 -5.267 1.00 0.91 H new ATOM 0 HD2 LYS A 46 -6.306 -3.342 -6.771 1.00 0.91 H new ATOM 0 HD3 LYS A 46 -6.199 -4.563 -8.024 1.00 0.91 H new ATOM 0 HE2 LYS A 46 -8.676 -4.832 -7.976 1.00 1.26 H new ATOM 0 HE3 LYS A 46 -8.785 -3.617 -6.718 1.00 1.26 H new ATOM 0 HZ1 LYS A 46 -9.220 -2.849 -9.049 1.00 1.93 H new ATOM 0 HZ2 LYS A 46 -8.075 -1.941 -8.184 1.00 1.93 H new ATOM 0 HZ3 LYS A 46 -7.563 -3.053 -9.361 1.00 1.93 H new ATOM 724 N LYS A 47 -4.516 -8.482 -5.711 1.00 0.41 N ATOM 725 CA LYS A 47 -4.624 -9.718 -6.483 1.00 0.52 C ATOM 726 C LYS A 47 -4.587 -10.956 -5.592 1.00 0.57 C ATOM 727 O LYS A 47 -4.924 -12.056 -6.033 1.00 0.78 O ATOM 728 CB LYS A 47 -3.493 -9.785 -7.515 1.00 0.65 C ATOM 729 CG LYS A 47 -3.450 -8.587 -8.452 1.00 1.31 C ATOM 730 CD LYS A 47 -4.657 -8.547 -9.370 1.00 1.66 C ATOM 731 CE LYS A 47 -4.713 -7.255 -10.169 1.00 2.33 C ATOM 732 NZ LYS A 47 -5.928 -7.184 -11.021 1.00 2.96 N ATOM 0 H LYS A 47 -3.615 -8.012 -5.801 1.00 0.41 H new ATOM 0 HA LYS A 47 -5.589 -9.707 -6.990 1.00 0.52 H new ATOM 0 HB2 LYS A 47 -2.540 -9.861 -6.992 1.00 0.65 H new ATOM 0 HB3 LYS A 47 -3.605 -10.694 -8.106 1.00 0.65 H new ATOM 0 HG2 LYS A 47 -3.408 -7.669 -7.866 1.00 1.31 H new ATOM 0 HG3 LYS A 47 -2.539 -8.626 -9.050 1.00 1.31 H new ATOM 0 HD2 LYS A 47 -4.623 -9.396 -10.053 1.00 1.66 H new ATOM 0 HD3 LYS A 47 -5.567 -8.649 -8.779 1.00 1.66 H new ATOM 0 HE2 LYS A 47 -4.698 -6.405 -9.487 1.00 2.33 H new ATOM 0 HE3 LYS A 47 -3.825 -7.177 -10.796 1.00 2.33 H new ATOM 0 HZ1 LYS A 47 -5.929 -6.288 -11.550 1.00 2.96 H new ATOM 0 HZ2 LYS A 47 -5.930 -7.981 -11.689 1.00 2.96 H new ATOM 0 HZ3 LYS A 47 -6.776 -7.233 -10.421 1.00 2.96 H new ATOM 746 N ASN A 48 -4.177 -10.789 -4.345 1.00 0.50 N ATOM 747 CA ASN A 48 -4.077 -11.920 -3.431 1.00 0.58 C ATOM 748 C ASN A 48 -4.948 -11.724 -2.193 1.00 0.58 C ATOM 749 O ASN A 48 -5.794 -12.562 -1.884 1.00 0.77 O ATOM 750 CB ASN A 48 -2.616 -12.132 -3.012 1.00 0.61 C ATOM 751 CG ASN A 48 -2.432 -13.281 -2.035 1.00 1.41 C ATOM 752 OD1 ASN A 48 -3.153 -14.277 -2.078 1.00 2.21 O ATOM 753 ND2 ASN A 48 -1.460 -13.147 -1.144 1.00 2.09 N ATOM 0 H ASN A 48 -3.910 -9.890 -3.943 1.00 0.50 H new ATOM 0 HA ASN A 48 -4.438 -12.803 -3.958 1.00 0.58 H new ATOM 0 HB2 ASN A 48 -2.014 -12.320 -3.901 1.00 0.61 H new ATOM 0 HB3 ASN A 48 -2.238 -11.215 -2.559 1.00 0.61 H new ATOM 0 HD21 ASN A 48 -1.288 -13.885 -0.462 1.00 2.09 H new ATOM 0 HD22 ASN A 48 -0.884 -12.306 -1.141 1.00 2.09 H new ATOM 760 N LEU A 49 -4.756 -10.604 -1.509 1.00 0.42 N ATOM 761 CA LEU A 49 -5.362 -10.389 -0.199 1.00 0.44 C ATOM 762 C LEU A 49 -6.805 -9.881 -0.293 1.00 0.39 C ATOM 763 O LEU A 49 -7.617 -10.172 0.583 1.00 0.39 O ATOM 764 CB LEU A 49 -4.508 -9.407 0.612 1.00 0.50 C ATOM 765 CG LEU A 49 -4.967 -9.168 2.051 1.00 0.57 C ATOM 766 CD1 LEU A 49 -4.728 -10.402 2.903 1.00 1.32 C ATOM 767 CD2 LEU A 49 -4.259 -7.958 2.638 1.00 1.10 C ATOM 0 H LEU A 49 -4.184 -9.827 -1.840 1.00 0.42 H new ATOM 0 HA LEU A 49 -5.398 -11.355 0.305 1.00 0.44 H new ATOM 0 HB2 LEU A 49 -3.483 -9.776 0.633 1.00 0.50 H new ATOM 0 HB3 LEU A 49 -4.492 -8.450 0.091 1.00 0.50 H new ATOM 0 HG LEU A 49 -6.038 -8.967 2.044 1.00 0.57 H new ATOM 0 HD11 LEU A 49 -5.062 -10.210 3.923 1.00 1.32 H new ATOM 0 HD12 LEU A 49 -5.286 -11.243 2.491 1.00 1.32 H new ATOM 0 HD13 LEU A 49 -3.664 -10.640 2.908 1.00 1.32 H new ATOM 0 HD21 LEU A 49 -4.596 -7.801 3.663 1.00 1.10 H new ATOM 0 HD22 LEU A 49 -3.182 -8.128 2.632 1.00 1.10 H new ATOM 0 HD23 LEU A 49 -4.490 -7.076 2.041 1.00 1.10 H new ATOM 779 N LEU A 50 -7.127 -9.124 -1.344 1.00 0.39 N ATOM 780 CA LEU A 50 -8.455 -8.522 -1.467 1.00 0.39 C ATOM 781 C LEU A 50 -9.515 -9.628 -1.544 1.00 0.41 C ATOM 782 O LEU A 50 -9.536 -10.407 -2.496 1.00 0.50 O ATOM 783 CB LEU A 50 -8.503 -7.610 -2.710 1.00 0.47 C ATOM 784 CG LEU A 50 -9.585 -6.512 -2.719 1.00 0.44 C ATOM 785 CD1 LEU A 50 -10.966 -7.110 -2.701 1.00 0.51 C ATOM 786 CD2 LEU A 50 -9.422 -5.576 -1.538 1.00 0.62 C ATOM 0 H LEU A 50 -6.493 -8.915 -2.115 1.00 0.39 H new ATOM 0 HA LEU A 50 -8.665 -7.908 -0.591 1.00 0.39 H new ATOM 0 HB2 LEU A 50 -7.530 -7.131 -2.819 1.00 0.47 H new ATOM 0 HB3 LEU A 50 -8.648 -8.239 -3.588 1.00 0.47 H new ATOM 0 HG LEU A 50 -9.460 -5.943 -3.640 1.00 0.44 H new ATOM 0 HD11 LEU A 50 -11.708 -6.312 -2.708 1.00 0.51 H new ATOM 0 HD12 LEU A 50 -11.102 -7.739 -3.581 1.00 0.51 H new ATOM 0 HD13 LEU A 50 -11.090 -7.713 -1.801 1.00 0.51 H new ATOM 0 HD21 LEU A 50 -10.198 -4.812 -1.570 1.00 0.62 H new ATOM 0 HD22 LEU A 50 -9.508 -6.142 -0.611 1.00 0.62 H new ATOM 0 HD23 LEU A 50 -8.442 -5.100 -1.583 1.00 0.62 H new ATOM 798 N LYS A 51 -10.383 -9.697 -0.535 1.00 0.40 N ATOM 799 CA LYS A 51 -11.343 -10.797 -0.423 1.00 0.47 C ATOM 800 C LYS A 51 -12.699 -10.427 -1.022 1.00 0.52 C ATOM 801 O LYS A 51 -13.487 -11.302 -1.383 1.00 0.63 O ATOM 802 CB LYS A 51 -11.528 -11.203 1.043 1.00 0.52 C ATOM 803 CG LYS A 51 -10.220 -11.427 1.781 1.00 0.57 C ATOM 804 CD LYS A 51 -10.416 -12.071 3.146 1.00 1.08 C ATOM 805 CE LYS A 51 -10.721 -13.564 3.066 1.00 1.81 C ATOM 806 NZ LYS A 51 -12.080 -13.853 2.534 1.00 2.26 N ATOM 0 H LYS A 51 -10.442 -9.008 0.214 1.00 0.40 H new ATOM 0 HA LYS A 51 -10.936 -11.637 -0.986 1.00 0.47 H new ATOM 0 HB2 LYS A 51 -12.097 -10.429 1.557 1.00 0.52 H new ATOM 0 HB3 LYS A 51 -12.121 -12.116 1.086 1.00 0.52 H new ATOM 0 HG2 LYS A 51 -9.570 -12.059 1.176 1.00 0.57 H new ATOM 0 HG3 LYS A 51 -9.710 -10.472 1.905 1.00 0.57 H new ATOM 0 HD2 LYS A 51 -9.517 -11.922 3.744 1.00 1.08 H new ATOM 0 HD3 LYS A 51 -11.231 -11.567 3.665 1.00 1.08 H new ATOM 0 HE2 LYS A 51 -9.978 -14.047 2.431 1.00 1.81 H new ATOM 0 HE3 LYS A 51 -10.625 -14.002 4.059 1.00 1.81 H new ATOM 0 HZ1 LYS A 51 -12.453 -14.713 2.984 1.00 2.26 H new ATOM 0 HZ2 LYS A 51 -12.711 -13.052 2.740 1.00 2.26 H new ATOM 0 HZ3 LYS A 51 -12.027 -13.996 1.505 1.00 2.26 H new ATOM 820 N GLU A 52 -12.974 -9.136 -1.110 1.00 0.52 N ATOM 821 CA GLU A 52 -14.234 -8.660 -1.669 1.00 0.59 C ATOM 822 C GLU A 52 -14.100 -8.447 -3.182 1.00 0.58 C ATOM 823 O GLU A 52 -13.195 -9.002 -3.810 1.00 0.72 O ATOM 824 CB GLU A 52 -14.677 -7.378 -0.941 1.00 0.66 C ATOM 825 CG GLU A 52 -13.681 -6.224 -1.010 1.00 0.64 C ATOM 826 CD GLU A 52 -14.062 -5.188 -2.040 1.00 0.90 C ATOM 827 OE1 GLU A 52 -15.253 -4.837 -2.122 1.00 1.16 O ATOM 828 OE2 GLU A 52 -13.159 -4.742 -2.782 1.00 1.15 O ATOM 0 H GLU A 52 -12.343 -8.396 -0.802 1.00 0.52 H new ATOM 0 HA GLU A 52 -15.008 -9.412 -1.517 1.00 0.59 H new ATOM 0 HB2 GLU A 52 -15.625 -7.046 -1.364 1.00 0.66 H new ATOM 0 HB3 GLU A 52 -14.862 -7.617 0.106 1.00 0.66 H new ATOM 0 HG2 GLU A 52 -13.612 -5.749 -0.031 1.00 0.64 H new ATOM 0 HG3 GLU A 52 -12.691 -6.617 -1.244 1.00 0.64 H new ATOM 835 N ARG A 53 -15.014 -7.679 -3.770 1.00 0.65 N ATOM 836 CA ARG A 53 -14.950 -7.361 -5.198 1.00 0.68 C ATOM 837 C ARG A 53 -14.103 -6.114 -5.428 1.00 0.59 C ATOM 838 O ARG A 53 -14.576 -4.994 -5.264 1.00 0.65 O ATOM 839 CB ARG A 53 -16.350 -7.156 -5.787 1.00 0.87 C ATOM 840 CG ARG A 53 -17.289 -6.382 -4.874 1.00 1.34 C ATOM 841 CD ARG A 53 -18.684 -6.248 -5.464 1.00 1.78 C ATOM 842 NE ARG A 53 -19.551 -5.441 -4.605 1.00 2.46 N ATOM 843 CZ ARG A 53 -20.761 -4.999 -4.953 1.00 3.32 C ATOM 844 NH1 ARG A 53 -21.270 -5.303 -6.141 1.00 3.80 N ATOM 845 NH2 ARG A 53 -21.461 -4.258 -4.104 1.00 4.10 N ATOM 0 H ARG A 53 -15.808 -7.265 -3.282 1.00 0.65 H new ATOM 0 HA ARG A 53 -14.487 -8.207 -5.705 1.00 0.68 H new ATOM 0 HB2 ARG A 53 -16.262 -6.627 -6.736 1.00 0.87 H new ATOM 0 HB3 ARG A 53 -16.789 -8.130 -6.005 1.00 0.87 H new ATOM 0 HG2 ARG A 53 -17.351 -6.885 -3.909 1.00 1.34 H new ATOM 0 HG3 ARG A 53 -16.878 -5.390 -4.690 1.00 1.34 H new ATOM 0 HD2 ARG A 53 -18.621 -5.791 -6.452 1.00 1.78 H new ATOM 0 HD3 ARG A 53 -19.121 -7.238 -5.598 1.00 1.78 H new ATOM 0 HE ARG A 53 -19.207 -5.200 -3.676 1.00 2.46 H new ATOM 0 HH11 ARG A 53 -20.736 -5.877 -6.793 1.00 3.80 H new ATOM 0 HH12 ARG A 53 -22.195 -4.962 -6.402 1.00 3.80 H new ATOM 0 HH21 ARG A 53 -21.074 -4.028 -3.189 1.00 4.10 H new ATOM 0 HH22 ARG A 53 -22.386 -3.918 -4.366 1.00 4.10 H new ATOM 859 N PRO A 54 -12.853 -6.301 -5.872 1.00 0.55 N ATOM 860 CA PRO A 54 -11.851 -5.226 -5.934 1.00 0.53 C ATOM 861 C PRO A 54 -12.196 -4.122 -6.927 1.00 0.57 C ATOM 862 O PRO A 54 -11.471 -3.133 -7.050 1.00 0.59 O ATOM 863 CB PRO A 54 -10.586 -5.937 -6.411 1.00 0.61 C ATOM 864 CG PRO A 54 -10.840 -7.393 -6.233 1.00 0.68 C ATOM 865 CD PRO A 54 -12.319 -7.573 -6.373 1.00 0.65 C ATOM 0 HA PRO A 54 -11.768 -4.730 -4.967 1.00 0.53 H new ATOM 0 HB2 PRO A 54 -10.377 -5.702 -7.455 1.00 0.61 H new ATOM 0 HB3 PRO A 54 -9.718 -5.619 -5.833 1.00 0.61 H new ATOM 0 HG2 PRO A 54 -10.303 -7.977 -6.981 1.00 0.68 H new ATOM 0 HG3 PRO A 54 -10.496 -7.733 -5.256 1.00 0.68 H new ATOM 0 HD2 PRO A 54 -12.608 -7.753 -7.409 1.00 0.65 H new ATOM 0 HD3 PRO A 54 -12.680 -8.420 -5.790 1.00 0.65 H new ATOM 873 N GLU A 55 -13.292 -4.303 -7.640 1.00 0.64 N ATOM 874 CA GLU A 55 -13.686 -3.381 -8.693 1.00 0.75 C ATOM 875 C GLU A 55 -14.113 -2.020 -8.149 1.00 0.69 C ATOM 876 O GLU A 55 -14.073 -1.022 -8.872 1.00 0.80 O ATOM 877 CB GLU A 55 -14.795 -3.990 -9.549 1.00 0.92 C ATOM 878 CG GLU A 55 -14.389 -5.289 -10.227 1.00 1.39 C ATOM 879 CD GLU A 55 -13.141 -5.144 -11.077 1.00 1.89 C ATOM 880 OE1 GLU A 55 -12.029 -5.305 -10.540 1.00 2.43 O ATOM 881 OE2 GLU A 55 -13.269 -4.875 -12.289 1.00 2.27 O ATOM 0 H GLU A 55 -13.931 -5.087 -7.508 1.00 0.64 H new ATOM 0 HA GLU A 55 -12.807 -3.212 -9.315 1.00 0.75 H new ATOM 0 HB2 GLU A 55 -15.668 -4.173 -8.923 1.00 0.92 H new ATOM 0 HB3 GLU A 55 -15.094 -3.269 -10.310 1.00 0.92 H new ATOM 0 HG2 GLU A 55 -14.219 -6.052 -9.467 1.00 1.39 H new ATOM 0 HG3 GLU A 55 -15.210 -5.639 -10.852 1.00 1.39 H new ATOM 888 N LEU A 56 -14.535 -1.969 -6.892 1.00 0.64 N ATOM 889 CA LEU A 56 -14.827 -0.690 -6.258 1.00 0.68 C ATOM 890 C LEU A 56 -13.740 -0.332 -5.251 1.00 0.59 C ATOM 891 O LEU A 56 -13.796 0.709 -4.600 1.00 0.69 O ATOM 892 CB LEU A 56 -16.231 -0.646 -5.611 1.00 0.81 C ATOM 893 CG LEU A 56 -16.732 -1.899 -4.870 1.00 1.09 C ATOM 894 CD1 LEU A 56 -17.132 -2.989 -5.850 1.00 1.86 C ATOM 895 CD2 LEU A 56 -15.690 -2.415 -3.892 1.00 2.05 C ATOM 0 H LEU A 56 -14.681 -2.786 -6.299 1.00 0.64 H new ATOM 0 HA LEU A 56 -14.834 0.063 -7.046 1.00 0.68 H new ATOM 0 HB2 LEU A 56 -16.247 0.186 -4.906 1.00 0.81 H new ATOM 0 HB3 LEU A 56 -16.951 -0.413 -6.395 1.00 0.81 H new ATOM 0 HG LEU A 56 -17.616 -1.612 -4.300 1.00 1.09 H new ATOM 0 HD11 LEU A 56 -17.482 -3.862 -5.300 1.00 1.86 H new ATOM 0 HD12 LEU A 56 -17.930 -2.623 -6.495 1.00 1.86 H new ATOM 0 HD13 LEU A 56 -16.271 -3.265 -6.459 1.00 1.86 H new ATOM 0 HD21 LEU A 56 -16.074 -3.300 -3.385 1.00 2.05 H new ATOM 0 HD22 LEU A 56 -14.780 -2.673 -4.433 1.00 2.05 H new ATOM 0 HD23 LEU A 56 -15.468 -1.643 -3.156 1.00 2.05 H new ATOM 907 N PHE A 57 -12.737 -1.192 -5.164 1.00 0.47 N ATOM 908 CA PHE A 57 -11.562 -0.943 -4.349 1.00 0.41 C ATOM 909 C PHE A 57 -10.600 -0.081 -5.175 1.00 0.37 C ATOM 910 O PHE A 57 -10.994 0.479 -6.199 1.00 0.37 O ATOM 911 CB PHE A 57 -10.962 -2.303 -3.910 1.00 0.38 C ATOM 912 CG PHE A 57 -9.654 -2.275 -3.159 1.00 0.35 C ATOM 913 CD1 PHE A 57 -9.564 -1.586 -1.958 1.00 0.35 C ATOM 914 CD2 PHE A 57 -8.518 -2.891 -3.655 1.00 0.37 C ATOM 915 CE1 PHE A 57 -8.371 -1.519 -1.265 1.00 0.36 C ATOM 916 CE2 PHE A 57 -7.320 -2.822 -2.968 1.00 0.38 C ATOM 917 CZ PHE A 57 -7.242 -2.312 -1.775 1.00 0.35 C ATOM 0 H PHE A 57 -12.717 -2.084 -5.658 1.00 0.47 H new ATOM 0 HA PHE A 57 -11.792 -0.398 -3.434 1.00 0.41 H new ATOM 0 HB2 PHE A 57 -11.698 -2.810 -3.286 1.00 0.38 H new ATOM 0 HB3 PHE A 57 -10.825 -2.914 -4.802 1.00 0.38 H new ATOM 0 HD1 PHE A 57 -10.439 -1.095 -1.559 1.00 0.35 H new ATOM 0 HD2 PHE A 57 -8.568 -3.431 -4.589 1.00 0.37 H new ATOM 0 HE1 PHE A 57 -8.271 -0.907 -0.381 1.00 0.36 H new ATOM 0 HE2 PHE A 57 -6.424 -3.203 -3.436 1.00 0.38 H new ATOM 0 HZ PHE A 57 -6.362 -2.468 -1.168 1.00 0.35 H new ATOM 927 N ILE A 58 -9.366 0.040 -4.748 1.00 0.36 N ATOM 928 CA ILE A 58 -8.442 0.983 -5.353 1.00 0.36 C ATOM 929 C ILE A 58 -7.911 0.501 -6.700 1.00 0.30 C ATOM 930 O ILE A 58 -7.940 -0.691 -7.015 1.00 0.30 O ATOM 931 CB ILE A 58 -7.242 1.224 -4.422 1.00 0.45 C ATOM 932 CG1 ILE A 58 -6.386 -0.034 -4.319 1.00 0.51 C ATOM 933 CG2 ILE A 58 -7.720 1.648 -3.050 1.00 0.97 C ATOM 934 CD1 ILE A 58 -5.218 0.096 -3.366 1.00 0.90 C ATOM 0 H ILE A 58 -8.972 -0.504 -3.980 1.00 0.36 H new ATOM 0 HA ILE A 58 -9.003 1.904 -5.512 1.00 0.36 H new ATOM 0 HB ILE A 58 -6.632 2.024 -4.842 1.00 0.45 H new ATOM 0 HG12 ILE A 58 -7.015 -0.864 -3.997 1.00 0.51 H new ATOM 0 HG13 ILE A 58 -6.008 -0.286 -5.310 1.00 0.51 H new ATOM 0 HG21 ILE A 58 -6.860 1.815 -2.401 1.00 0.97 H new ATOM 0 HG22 ILE A 58 -8.296 2.570 -3.134 1.00 0.97 H new ATOM 0 HG23 ILE A 58 -8.348 0.865 -2.626 1.00 0.97 H new ATOM 0 HD11 ILE A 58 -4.658 -0.839 -3.348 1.00 0.90 H new ATOM 0 HD12 ILE A 58 -4.566 0.904 -3.698 1.00 0.90 H new ATOM 0 HD13 ILE A 58 -5.588 0.317 -2.365 1.00 0.90 H new ATOM 946 N GLN A 59 -7.431 1.460 -7.484 1.00 0.31 N ATOM 947 CA GLN A 59 -6.875 1.200 -8.805 1.00 0.30 C ATOM 948 C GLN A 59 -5.629 0.336 -8.683 1.00 0.27 C ATOM 949 O GLN A 59 -4.915 0.422 -7.688 1.00 0.29 O ATOM 950 CB GLN A 59 -6.514 2.523 -9.492 1.00 0.39 C ATOM 951 CG GLN A 59 -5.342 3.253 -8.838 1.00 0.56 C ATOM 952 CD GLN A 59 -4.937 4.515 -9.578 1.00 0.60 C ATOM 953 OE1 GLN A 59 -5.759 5.152 -10.229 1.00 1.35 O ATOM 954 NE2 GLN A 59 -3.666 4.898 -9.471 1.00 0.58 N ATOM 0 H GLN A 59 -7.417 2.445 -7.219 1.00 0.31 H new ATOM 0 HA GLN A 59 -7.621 0.676 -9.403 1.00 0.30 H new ATOM 0 HB2 GLN A 59 -6.271 2.326 -10.536 1.00 0.39 H new ATOM 0 HB3 GLN A 59 -7.387 3.176 -9.486 1.00 0.39 H new ATOM 0 HG2 GLN A 59 -5.609 3.510 -7.813 1.00 0.56 H new ATOM 0 HG3 GLN A 59 -4.486 2.580 -8.785 1.00 0.56 H new ATOM 0 HE21 GLN A 59 -3.011 4.343 -8.921 1.00 0.58 H new ATOM 0 HE22 GLN A 59 -3.348 5.747 -9.939 1.00 0.58 H new ATOM 963 N GLY A 60 -5.387 -0.512 -9.677 1.00 0.32 N ATOM 964 CA GLY A 60 -4.220 -1.380 -9.657 1.00 0.38 C ATOM 965 C GLY A 60 -2.911 -0.631 -9.880 1.00 0.37 C ATOM 966 O GLY A 60 -2.076 -1.060 -10.675 1.00 0.55 O ATOM 0 H GLY A 60 -5.980 -0.615 -10.500 1.00 0.32 H new ATOM 0 HA2 GLY A 60 -4.176 -1.897 -8.699 1.00 0.38 H new ATOM 0 HA3 GLY A 60 -4.330 -2.144 -10.427 1.00 0.38 H new ATOM 970 N ASP A 61 -2.732 0.475 -9.166 1.00 0.40 N ATOM 971 CA ASP A 61 -1.531 1.297 -9.278 1.00 0.46 C ATOM 972 C ASP A 61 -1.187 1.934 -7.936 1.00 0.44 C ATOM 973 O ASP A 61 -0.136 1.660 -7.365 1.00 0.54 O ATOM 974 CB ASP A 61 -1.705 2.397 -10.335 1.00 0.55 C ATOM 975 CG ASP A 61 -1.703 1.871 -11.756 1.00 0.81 C ATOM 976 OD1 ASP A 61 -0.642 1.413 -12.226 1.00 1.06 O ATOM 977 OD2 ASP A 61 -2.765 1.922 -12.412 1.00 0.96 O ATOM 0 H ASP A 61 -3.414 0.827 -8.494 1.00 0.40 H new ATOM 0 HA ASP A 61 -0.716 0.642 -9.586 1.00 0.46 H new ATOM 0 HB2 ASP A 61 -2.642 2.922 -10.151 1.00 0.55 H new ATOM 0 HB3 ASP A 61 -0.903 3.127 -10.224 1.00 0.55 H new ATOM 982 N SER A 62 -2.087 2.769 -7.421 1.00 0.40 N ATOM 983 CA SER A 62 -1.822 3.499 -6.183 1.00 0.46 C ATOM 984 C SER A 62 -3.001 3.365 -5.213 1.00 0.47 C ATOM 985 O SER A 62 -2.903 2.672 -4.206 1.00 0.70 O ATOM 986 CB SER A 62 -1.533 4.975 -6.498 1.00 0.53 C ATOM 987 OG SER A 62 -0.951 5.646 -5.397 1.00 0.80 O ATOM 0 H SER A 62 -2.999 2.956 -7.838 1.00 0.40 H new ATOM 0 HA SER A 62 -0.944 3.069 -5.700 1.00 0.46 H new ATOM 0 HB2 SER A 62 -0.864 5.039 -7.356 1.00 0.53 H new ATOM 0 HB3 SER A 62 -2.460 5.475 -6.778 1.00 0.53 H new ATOM 0 HG SER A 62 -0.943 6.611 -5.569 1.00 0.80 H new ATOM 993 N VAL A 63 -4.111 4.034 -5.527 1.00 0.38 N ATOM 994 CA VAL A 63 -5.352 3.932 -4.750 1.00 0.37 C ATOM 995 C VAL A 63 -6.511 4.502 -5.545 1.00 0.40 C ATOM 996 O VAL A 63 -6.309 5.224 -6.518 1.00 0.52 O ATOM 997 CB VAL A 63 -5.296 4.678 -3.394 1.00 0.53 C ATOM 998 CG1 VAL A 63 -4.923 3.737 -2.257 1.00 0.83 C ATOM 999 CG2 VAL A 63 -4.343 5.862 -3.454 1.00 0.78 C ATOM 0 H VAL A 63 -4.178 4.663 -6.327 1.00 0.38 H new ATOM 0 HA VAL A 63 -5.487 2.870 -4.546 1.00 0.37 H new ATOM 0 HB VAL A 63 -6.296 5.063 -3.193 1.00 0.53 H new ATOM 0 HG11 VAL A 63 -4.893 4.293 -1.320 1.00 0.83 H new ATOM 0 HG12 VAL A 63 -5.666 2.942 -2.184 1.00 0.83 H new ATOM 0 HG13 VAL A 63 -3.943 3.301 -2.452 1.00 0.83 H new ATOM 0 HG21 VAL A 63 -4.326 6.365 -2.487 1.00 0.78 H new ATOM 0 HG22 VAL A 63 -3.341 5.510 -3.698 1.00 0.78 H new ATOM 0 HG23 VAL A 63 -4.679 6.561 -4.220 1.00 0.78 H new ATOM 1009 N ARG A 64 -7.720 4.152 -5.135 1.00 0.36 N ATOM 1010 CA ARG A 64 -8.925 4.755 -5.680 1.00 0.40 C ATOM 1011 C ARG A 64 -9.074 6.134 -5.055 1.00 0.40 C ATOM 1012 O ARG A 64 -8.418 6.418 -4.058 1.00 0.40 O ATOM 1013 CB ARG A 64 -10.157 3.890 -5.342 1.00 0.41 C ATOM 1014 CG ARG A 64 -10.416 3.766 -3.844 1.00 0.36 C ATOM 1015 CD ARG A 64 -11.684 2.986 -3.520 1.00 0.45 C ATOM 1016 NE ARG A 64 -12.086 3.156 -2.114 1.00 1.05 N ATOM 1017 CZ ARG A 64 -13.207 2.657 -1.577 1.00 1.39 C ATOM 1018 NH1 ARG A 64 -14.033 1.920 -2.304 1.00 1.63 N ATOM 1019 NH2 ARG A 64 -13.495 2.882 -0.298 1.00 2.05 N ATOM 0 H ARG A 64 -7.893 3.446 -4.419 1.00 0.36 H new ATOM 0 HA ARG A 64 -8.852 4.830 -6.765 1.00 0.40 H new ATOM 0 HB2 ARG A 64 -11.036 4.320 -5.821 1.00 0.41 H new ATOM 0 HB3 ARG A 64 -10.019 2.894 -5.763 1.00 0.41 H new ATOM 0 HG2 ARG A 64 -9.564 3.275 -3.373 1.00 0.36 H new ATOM 0 HG3 ARG A 64 -10.489 4.763 -3.410 1.00 0.36 H new ATOM 0 HD2 ARG A 64 -12.492 3.319 -4.172 1.00 0.45 H new ATOM 0 HD3 ARG A 64 -11.523 1.928 -3.727 1.00 0.45 H new ATOM 0 HE ARG A 64 -11.467 3.692 -1.506 1.00 1.05 H new ATOM 0 HH11 ARG A 64 -13.818 1.728 -3.282 1.00 1.63 H new ATOM 0 HH12 ARG A 64 -14.884 1.545 -1.886 1.00 1.63 H new ATOM 0 HH21 ARG A 64 -12.861 3.436 0.278 1.00 2.05 H new ATOM 0 HH22 ARG A 64 -14.350 2.500 0.107 1.00 2.05 H new ATOM 1033 N PRO A 65 -9.925 7.011 -5.602 1.00 0.49 N ATOM 1034 CA PRO A 65 -10.209 8.302 -4.969 1.00 0.53 C ATOM 1035 C PRO A 65 -10.723 8.114 -3.539 1.00 0.44 C ATOM 1036 O PRO A 65 -10.597 8.997 -2.691 1.00 0.51 O ATOM 1037 CB PRO A 65 -11.297 8.912 -5.856 1.00 0.65 C ATOM 1038 CG PRO A 65 -11.187 8.207 -7.166 1.00 0.72 C ATOM 1039 CD PRO A 65 -10.651 6.834 -6.872 1.00 0.61 C ATOM 0 HA PRO A 65 -9.322 8.931 -4.888 1.00 0.53 H new ATOM 0 HB2 PRO A 65 -12.285 8.772 -5.417 1.00 0.65 H new ATOM 0 HB3 PRO A 65 -11.150 9.985 -5.975 1.00 0.65 H new ATOM 0 HG2 PRO A 65 -12.159 8.147 -7.656 1.00 0.72 H new ATOM 0 HG3 PRO A 65 -10.522 8.746 -7.841 1.00 0.72 H new ATOM 0 HD2 PRO A 65 -11.453 6.102 -6.777 1.00 0.61 H new ATOM 0 HD3 PRO A 65 -9.991 6.483 -7.665 1.00 0.61 H new ATOM 1047 N GLY A 66 -11.295 6.943 -3.292 1.00 0.35 N ATOM 1048 CA GLY A 66 -11.815 6.617 -1.984 1.00 0.32 C ATOM 1049 C GLY A 66 -10.733 6.349 -0.948 1.00 0.25 C ATOM 1050 O GLY A 66 -10.768 6.920 0.140 1.00 0.27 O ATOM 0 H GLY A 66 -11.408 6.205 -3.987 1.00 0.35 H new ATOM 0 HA2 GLY A 66 -12.443 7.437 -1.637 1.00 0.32 H new ATOM 0 HA3 GLY A 66 -12.454 5.738 -2.065 1.00 0.32 H new ATOM 1054 N ILE A 67 -9.785 5.460 -1.249 1.00 0.28 N ATOM 1055 CA ILE A 67 -8.725 5.161 -0.296 1.00 0.23 C ATOM 1056 C ILE A 67 -7.491 6.019 -0.550 1.00 0.24 C ATOM 1057 O ILE A 67 -7.086 6.215 -1.685 1.00 0.32 O ATOM 1058 CB ILE A 67 -8.345 3.670 -0.348 1.00 0.25 C ATOM 1059 CG1 ILE A 67 -9.586 2.819 -0.091 1.00 0.32 C ATOM 1060 CG2 ILE A 67 -7.254 3.340 0.661 1.00 0.21 C ATOM 1061 CD1 ILE A 67 -9.311 1.339 -0.083 1.00 0.34 C ATOM 0 H ILE A 67 -9.732 4.945 -2.128 1.00 0.28 H new ATOM 0 HA ILE A 67 -9.107 5.394 0.698 1.00 0.23 H new ATOM 0 HB ILE A 67 -7.952 3.447 -1.340 1.00 0.25 H new ATOM 0 HG12 ILE A 67 -10.020 3.105 0.867 1.00 0.32 H new ATOM 0 HG13 ILE A 67 -10.331 3.038 -0.856 1.00 0.32 H new ATOM 0 HG21 ILE A 67 -7.009 2.280 0.598 1.00 0.21 H new ATOM 0 HG22 ILE A 67 -6.365 3.931 0.442 1.00 0.21 H new ATOM 0 HG23 ILE A 67 -7.606 3.572 1.666 1.00 0.21 H new ATOM 0 HD11 ILE A 67 -10.238 0.798 0.105 1.00 0.34 H new ATOM 0 HD12 ILE A 67 -8.906 1.039 -1.049 1.00 0.34 H new ATOM 0 HD13 ILE A 67 -8.590 1.107 0.701 1.00 0.34 H new ATOM 1073 N LEU A 68 -6.918 6.538 0.522 1.00 0.23 N ATOM 1074 CA LEU A 68 -5.706 7.340 0.449 1.00 0.29 C ATOM 1075 C LEU A 68 -4.531 6.530 0.976 1.00 0.28 C ATOM 1076 O LEU A 68 -4.717 5.614 1.775 1.00 0.41 O ATOM 1077 CB LEU A 68 -5.863 8.615 1.286 1.00 0.37 C ATOM 1078 CG LEU A 68 -7.175 9.380 1.081 1.00 0.40 C ATOM 1079 CD1 LEU A 68 -7.228 10.595 1.992 1.00 0.50 C ATOM 1080 CD2 LEU A 68 -7.339 9.794 -0.373 1.00 0.44 C ATOM 0 H LEU A 68 -7.279 6.416 1.468 1.00 0.23 H new ATOM 0 HA LEU A 68 -5.526 7.618 -0.590 1.00 0.29 H new ATOM 0 HB2 LEU A 68 -5.778 8.350 2.340 1.00 0.37 H new ATOM 0 HB3 LEU A 68 -5.033 9.284 1.057 1.00 0.37 H new ATOM 0 HG LEU A 68 -8.001 8.717 1.339 1.00 0.40 H new ATOM 0 HD11 LEU A 68 -8.166 11.127 1.834 1.00 0.50 H new ATOM 0 HD12 LEU A 68 -7.164 10.273 3.032 1.00 0.50 H new ATOM 0 HD13 LEU A 68 -6.392 11.257 1.765 1.00 0.50 H new ATOM 0 HD21 LEU A 68 -8.277 10.335 -0.494 1.00 0.44 H new ATOM 0 HD22 LEU A 68 -6.509 10.438 -0.664 1.00 0.44 H new ATOM 0 HD23 LEU A 68 -7.349 8.906 -1.005 1.00 0.44 H new ATOM 1092 N VAL A 69 -3.332 6.855 0.530 1.00 0.25 N ATOM 1093 CA VAL A 69 -2.141 6.168 0.999 1.00 0.27 C ATOM 1094 C VAL A 69 -1.248 7.111 1.786 1.00 0.19 C ATOM 1095 O VAL A 69 -0.929 8.210 1.334 1.00 0.21 O ATOM 1096 CB VAL A 69 -1.319 5.565 -0.166 1.00 0.44 C ATOM 1097 CG1 VAL A 69 0.009 5.011 0.327 1.00 1.05 C ATOM 1098 CG2 VAL A 69 -2.099 4.478 -0.871 1.00 0.81 C ATOM 0 H VAL A 69 -3.156 7.589 -0.156 1.00 0.25 H new ATOM 0 HA VAL A 69 -2.486 5.357 1.641 1.00 0.27 H new ATOM 0 HB VAL A 69 -1.118 6.369 -0.874 1.00 0.44 H new ATOM 0 HG11 VAL A 69 0.564 4.594 -0.514 1.00 1.05 H new ATOM 0 HG12 VAL A 69 0.590 5.812 0.784 1.00 1.05 H new ATOM 0 HG13 VAL A 69 -0.174 4.229 1.064 1.00 1.05 H new ATOM 0 HG21 VAL A 69 -1.500 4.070 -1.685 1.00 0.81 H new ATOM 0 HG22 VAL A 69 -2.338 3.684 -0.163 1.00 0.81 H new ATOM 0 HG23 VAL A 69 -3.022 4.895 -1.273 1.00 0.81 H new ATOM 1108 N LEU A 70 -0.864 6.688 2.970 1.00 0.18 N ATOM 1109 CA LEU A 70 0.164 7.385 3.714 1.00 0.16 C ATOM 1110 C LEU A 70 1.506 6.765 3.395 1.00 0.15 C ATOM 1111 O LEU A 70 1.742 5.602 3.703 1.00 0.19 O ATOM 1112 CB LEU A 70 -0.082 7.314 5.221 1.00 0.22 C ATOM 1113 CG LEU A 70 -1.344 8.015 5.718 1.00 0.36 C ATOM 1114 CD1 LEU A 70 -1.449 7.902 7.231 1.00 0.95 C ATOM 1115 CD2 LEU A 70 -1.341 9.474 5.287 1.00 0.90 C ATOM 0 H LEU A 70 -1.247 5.867 3.438 1.00 0.18 H new ATOM 0 HA LEU A 70 0.146 8.435 3.422 1.00 0.16 H new ATOM 0 HB2 LEU A 70 -0.132 6.265 5.514 1.00 0.22 H new ATOM 0 HB3 LEU A 70 0.778 7.747 5.732 1.00 0.22 H new ATOM 0 HG LEU A 70 -2.213 7.528 5.276 1.00 0.36 H new ATOM 0 HD11 LEU A 70 -2.353 8.406 7.572 1.00 0.95 H new ATOM 0 HD12 LEU A 70 -1.491 6.851 7.515 1.00 0.95 H new ATOM 0 HD13 LEU A 70 -0.578 8.368 7.692 1.00 0.95 H new ATOM 0 HD21 LEU A 70 -2.246 9.962 5.648 1.00 0.90 H new ATOM 0 HD22 LEU A 70 -0.468 9.975 5.705 1.00 0.90 H new ATOM 0 HD23 LEU A 70 -1.307 9.532 4.199 1.00 0.90 H new ATOM 1127 N ILE A 71 2.365 7.519 2.743 1.00 0.14 N ATOM 1128 CA ILE A 71 3.729 7.082 2.555 1.00 0.17 C ATOM 1129 C ILE A 71 4.514 7.494 3.773 1.00 0.20 C ATOM 1130 O ILE A 71 4.728 8.689 3.995 1.00 0.24 O ATOM 1131 CB ILE A 71 4.392 7.675 1.299 1.00 0.20 C ATOM 1132 CG1 ILE A 71 3.591 7.310 0.045 1.00 0.18 C ATOM 1133 CG2 ILE A 71 5.831 7.175 1.188 1.00 0.28 C ATOM 1134 CD1 ILE A 71 3.522 5.824 -0.235 1.00 0.20 C ATOM 0 H ILE A 71 2.145 8.429 2.338 1.00 0.14 H new ATOM 0 HA ILE A 71 3.720 6.001 2.417 1.00 0.17 H new ATOM 0 HB ILE A 71 4.405 8.762 1.385 1.00 0.20 H new ATOM 0 HG12 ILE A 71 2.577 7.696 0.150 1.00 0.18 H new ATOM 0 HG13 ILE A 71 4.036 7.810 -0.815 1.00 0.18 H new ATOM 0 HG21 ILE A 71 6.295 7.598 0.297 1.00 0.28 H new ATOM 0 HG22 ILE A 71 6.392 7.482 2.070 1.00 0.28 H new ATOM 0 HG23 ILE A 71 5.834 6.087 1.117 1.00 0.28 H new ATOM 0 HD11 ILE A 71 2.938 5.651 -1.139 1.00 0.20 H new ATOM 0 HD12 ILE A 71 4.530 5.433 -0.374 1.00 0.20 H new ATOM 0 HD13 ILE A 71 3.049 5.317 0.606 1.00 0.20 H new ATOM 1146 N ASN A 72 4.871 6.506 4.584 1.00 0.22 N ATOM 1147 CA ASN A 72 5.558 6.724 5.849 1.00 0.28 C ATOM 1148 C ASN A 72 4.554 7.208 6.864 1.00 0.27 C ATOM 1149 O ASN A 72 4.290 6.527 7.847 1.00 0.31 O ATOM 1150 CB ASN A 72 6.724 7.713 5.717 1.00 0.41 C ATOM 1151 CG ASN A 72 7.773 7.253 4.733 1.00 1.04 C ATOM 1152 OD1 ASN A 72 7.491 6.544 3.773 1.00 1.94 O ATOM 1153 ND2 ASN A 72 8.996 7.655 4.962 1.00 1.33 N ATOM 0 H ASN A 72 4.690 5.523 4.380 1.00 0.22 H new ATOM 0 HA ASN A 72 5.995 5.780 6.175 1.00 0.28 H new ATOM 0 HB2 ASN A 72 6.338 8.683 5.403 1.00 0.41 H new ATOM 0 HB3 ASN A 72 7.186 7.855 6.694 1.00 0.41 H new ATOM 0 HD21 ASN A 72 9.750 7.379 4.333 1.00 1.33 H new ATOM 0 HD22 ASN A 72 9.196 8.244 5.770 1.00 1.33 H new ATOM 1160 N ASP A 73 3.994 8.375 6.587 1.00 0.26 N ATOM 1161 CA ASP A 73 2.893 8.941 7.348 1.00 0.29 C ATOM 1162 C ASP A 73 2.387 10.208 6.661 1.00 0.28 C ATOM 1163 O ASP A 73 1.764 11.061 7.290 1.00 0.36 O ATOM 1164 CB ASP A 73 3.320 9.259 8.782 1.00 0.36 C ATOM 1165 CG ASP A 73 4.459 10.258 8.873 1.00 0.62 C ATOM 1166 OD1 ASP A 73 5.635 9.841 8.768 1.00 1.03 O ATOM 1167 OD2 ASP A 73 4.186 11.468 9.026 1.00 0.65 O ATOM 0 H ASP A 73 4.298 8.965 5.813 1.00 0.26 H new ATOM 0 HA ASP A 73 2.091 8.204 7.389 1.00 0.29 H new ATOM 0 HB2 ASP A 73 2.462 9.649 9.329 1.00 0.36 H new ATOM 0 HB3 ASP A 73 3.619 8.335 9.276 1.00 0.36 H new ATOM 1172 N ALA A 74 2.618 10.309 5.354 1.00 0.27 N ATOM 1173 CA ALA A 74 2.321 11.538 4.625 1.00 0.29 C ATOM 1174 C ALA A 74 1.568 11.259 3.325 1.00 0.25 C ATOM 1175 O ALA A 74 1.393 10.105 2.932 1.00 0.20 O ATOM 1176 CB ALA A 74 3.608 12.300 4.341 1.00 0.33 C ATOM 0 H ALA A 74 3.007 9.560 4.782 1.00 0.27 H new ATOM 0 HA ALA A 74 1.672 12.149 5.252 1.00 0.29 H new ATOM 0 HB1 ALA A 74 3.376 13.216 3.797 1.00 0.33 H new ATOM 0 HB2 ALA A 74 4.097 12.551 5.282 1.00 0.33 H new ATOM 0 HB3 ALA A 74 4.273 11.680 3.741 1.00 0.33 H new ATOM 1182 N ASP A 75 1.135 12.333 2.664 1.00 0.30 N ATOM 1183 CA ASP A 75 0.343 12.242 1.433 1.00 0.29 C ATOM 1184 C ASP A 75 1.120 11.561 0.317 1.00 0.23 C ATOM 1185 O ASP A 75 2.076 12.118 -0.220 1.00 0.24 O ATOM 1186 CB ASP A 75 -0.088 13.633 0.962 1.00 0.36 C ATOM 1187 CG ASP A 75 -0.939 14.361 1.978 1.00 0.47 C ATOM 1188 OD1 ASP A 75 -0.373 14.972 2.907 1.00 0.62 O ATOM 1189 OD2 ASP A 75 -2.184 14.310 1.856 1.00 0.61 O ATOM 0 H ASP A 75 1.322 13.290 2.965 1.00 0.30 H new ATOM 0 HA ASP A 75 -0.538 11.643 1.664 1.00 0.29 H new ATOM 0 HB2 ASP A 75 0.799 14.228 0.745 1.00 0.36 H new ATOM 0 HB3 ASP A 75 -0.645 13.539 0.030 1.00 0.36 H new ATOM 1194 N TRP A 76 0.687 10.358 -0.027 1.00 0.21 N ATOM 1195 CA TRP A 76 1.294 9.568 -1.090 1.00 0.17 C ATOM 1196 C TRP A 76 1.481 10.360 -2.384 1.00 0.16 C ATOM 1197 O TRP A 76 2.576 10.379 -2.948 1.00 0.14 O ATOM 1198 CB TRP A 76 0.441 8.315 -1.362 1.00 0.20 C ATOM 1199 CG TRP A 76 -0.888 8.572 -2.045 1.00 0.22 C ATOM 1200 CD1 TRP A 76 -1.296 8.034 -3.233 1.00 0.28 C ATOM 1201 CD2 TRP A 76 -1.973 9.425 -1.612 1.00 0.25 C ATOM 1202 NE1 TRP A 76 -2.544 8.495 -3.566 1.00 0.33 N ATOM 1203 CE2 TRP A 76 -2.981 9.344 -2.591 1.00 0.30 C ATOM 1204 CE3 TRP A 76 -2.191 10.248 -0.500 1.00 0.27 C ATOM 1205 CZ2 TRP A 76 -4.177 10.047 -2.492 1.00 0.34 C ATOM 1206 CZ3 TRP A 76 -3.380 10.943 -0.406 1.00 0.32 C ATOM 1207 CH2 TRP A 76 -4.357 10.841 -1.397 1.00 0.34 C ATOM 0 H TRP A 76 -0.102 9.898 0.427 1.00 0.21 H new ATOM 0 HA TRP A 76 2.287 9.279 -0.746 1.00 0.17 H new ATOM 0 HB2 TRP A 76 1.021 7.628 -1.978 1.00 0.20 H new ATOM 0 HB3 TRP A 76 0.252 7.811 -0.414 1.00 0.20 H new ATOM 0 HD1 TRP A 76 -0.717 7.342 -3.827 1.00 0.28 H new ATOM 0 HE1 TRP A 76 -3.063 8.244 -4.408 1.00 0.33 H new ATOM 0 HE3 TRP A 76 -1.441 10.337 0.272 1.00 0.27 H new ATOM 0 HZ2 TRP A 76 -4.937 9.967 -3.255 1.00 0.34 H new ATOM 0 HZ3 TRP A 76 -3.557 11.577 0.450 1.00 0.32 H new ATOM 0 HH2 TRP A 76 -5.274 11.402 -1.295 1.00 0.34 H new ATOM 1218 N GLU A 77 0.426 11.030 -2.830 1.00 0.19 N ATOM 1219 CA GLU A 77 0.411 11.657 -4.141 1.00 0.21 C ATOM 1220 C GLU A 77 1.465 12.758 -4.245 1.00 0.21 C ATOM 1221 O GLU A 77 2.016 13.006 -5.314 1.00 0.27 O ATOM 1222 CB GLU A 77 -0.976 12.233 -4.436 1.00 0.28 C ATOM 1223 CG GLU A 77 -1.478 13.206 -3.380 1.00 0.49 C ATOM 1224 CD GLU A 77 -2.762 13.899 -3.790 1.00 0.52 C ATOM 1225 OE1 GLU A 77 -3.852 13.352 -3.514 1.00 0.74 O ATOM 1226 OE2 GLU A 77 -2.691 14.993 -4.378 1.00 0.82 O ATOM 0 H GLU A 77 -0.435 11.152 -2.297 1.00 0.19 H new ATOM 0 HA GLU A 77 0.648 10.891 -4.879 1.00 0.21 H new ATOM 0 HB2 GLU A 77 -0.950 12.741 -5.400 1.00 0.28 H new ATOM 0 HB3 GLU A 77 -1.687 11.412 -4.527 1.00 0.28 H new ATOM 0 HG2 GLU A 77 -1.641 12.670 -2.445 1.00 0.49 H new ATOM 0 HG3 GLU A 77 -0.710 13.955 -3.187 1.00 0.49 H new ATOM 1233 N LEU A 78 1.753 13.401 -3.122 1.00 0.24 N ATOM 1234 CA LEU A 78 2.698 14.509 -3.094 1.00 0.29 C ATOM 1235 C LEU A 78 4.115 14.010 -2.844 1.00 0.25 C ATOM 1236 O LEU A 78 5.071 14.783 -2.853 1.00 0.35 O ATOM 1237 CB LEU A 78 2.299 15.511 -2.005 1.00 0.47 C ATOM 1238 CG LEU A 78 0.917 16.149 -2.177 1.00 0.55 C ATOM 1239 CD1 LEU A 78 0.606 17.066 -1.005 1.00 1.12 C ATOM 1240 CD2 LEU A 78 0.843 16.917 -3.487 1.00 1.00 C ATOM 0 H LEU A 78 1.344 13.174 -2.216 1.00 0.24 H new ATOM 0 HA LEU A 78 2.674 15.003 -4.066 1.00 0.29 H new ATOM 0 HB2 LEU A 78 2.330 15.005 -1.040 1.00 0.47 H new ATOM 0 HB3 LEU A 78 3.046 16.304 -1.973 1.00 0.47 H new ATOM 0 HG LEU A 78 0.171 15.354 -2.202 1.00 0.55 H new ATOM 0 HD11 LEU A 78 -0.379 17.511 -1.143 1.00 1.12 H new ATOM 0 HD12 LEU A 78 0.618 16.490 -0.079 1.00 1.12 H new ATOM 0 HD13 LEU A 78 1.356 17.855 -0.951 1.00 1.12 H new ATOM 0 HD21 LEU A 78 -0.146 17.363 -3.592 1.00 1.00 H new ATOM 0 HD22 LEU A 78 1.598 17.703 -3.491 1.00 1.00 H new ATOM 0 HD23 LEU A 78 1.024 16.236 -4.319 1.00 1.00 H new ATOM 1252 N LEU A 79 4.243 12.711 -2.618 1.00 0.20 N ATOM 1253 CA LEU A 79 5.534 12.121 -2.295 1.00 0.20 C ATOM 1254 C LEU A 79 6.058 11.234 -3.427 1.00 0.20 C ATOM 1255 O LEU A 79 7.269 11.113 -3.614 1.00 0.22 O ATOM 1256 CB LEU A 79 5.425 11.312 -0.997 1.00 0.22 C ATOM 1257 CG LEU A 79 5.790 12.067 0.289 1.00 0.38 C ATOM 1258 CD1 LEU A 79 4.859 13.245 0.519 1.00 0.79 C ATOM 1259 CD2 LEU A 79 5.759 11.122 1.482 1.00 0.75 C ATOM 0 H LEU A 79 3.470 12.046 -2.652 1.00 0.20 H new ATOM 0 HA LEU A 79 6.247 12.934 -2.162 1.00 0.20 H new ATOM 0 HB2 LEU A 79 4.403 10.945 -0.904 1.00 0.22 H new ATOM 0 HB3 LEU A 79 6.071 10.438 -1.080 1.00 0.22 H new ATOM 0 HG LEU A 79 6.801 12.458 0.176 1.00 0.38 H new ATOM 0 HD11 LEU A 79 5.143 13.759 1.437 1.00 0.79 H new ATOM 0 HD12 LEU A 79 4.932 13.936 -0.321 1.00 0.79 H new ATOM 0 HD13 LEU A 79 3.833 12.887 0.606 1.00 0.79 H new ATOM 0 HD21 LEU A 79 6.020 11.670 2.387 1.00 0.75 H new ATOM 0 HD22 LEU A 79 4.759 10.702 1.588 1.00 0.75 H new ATOM 0 HD23 LEU A 79 6.476 10.316 1.327 1.00 0.75 H new ATOM 1271 N GLY A 80 5.151 10.633 -4.191 1.00 0.20 N ATOM 1272 CA GLY A 80 5.562 9.749 -5.271 1.00 0.22 C ATOM 1273 C GLY A 80 4.659 8.536 -5.392 1.00 0.19 C ATOM 1274 O GLY A 80 4.628 7.876 -6.433 1.00 0.22 O ATOM 0 H GLY A 80 4.142 10.740 -4.084 1.00 0.20 H new ATOM 0 HA2 GLY A 80 5.556 10.300 -6.212 1.00 0.22 H new ATOM 0 HA3 GLY A 80 6.587 9.421 -5.100 1.00 0.22 H new ATOM 1278 N GLU A 81 3.936 8.259 -4.303 1.00 0.17 N ATOM 1279 CA GLU A 81 2.908 7.212 -4.225 1.00 0.20 C ATOM 1280 C GLU A 81 3.294 5.892 -4.917 1.00 0.16 C ATOM 1281 O GLU A 81 4.340 5.322 -4.621 1.00 0.17 O ATOM 1282 CB GLU A 81 1.553 7.744 -4.727 1.00 0.33 C ATOM 1283 CG GLU A 81 1.611 8.540 -6.018 1.00 0.48 C ATOM 1284 CD GLU A 81 0.236 8.868 -6.558 1.00 0.38 C ATOM 1285 OE1 GLU A 81 -0.593 7.943 -6.695 1.00 0.58 O ATOM 1286 OE2 GLU A 81 -0.028 10.053 -6.834 1.00 0.41 O ATOM 0 H GLU A 81 4.051 8.769 -3.427 1.00 0.17 H new ATOM 0 HA GLU A 81 2.818 6.956 -3.169 1.00 0.20 H new ATOM 0 HB2 GLU A 81 0.879 6.899 -4.869 1.00 0.33 H new ATOM 0 HB3 GLU A 81 1.117 8.372 -3.950 1.00 0.33 H new ATOM 0 HG2 GLU A 81 2.161 9.465 -5.846 1.00 0.48 H new ATOM 0 HG3 GLU A 81 2.166 7.974 -6.766 1.00 0.48 H new ATOM 1293 N LEU A 82 2.418 5.420 -5.811 1.00 0.16 N ATOM 1294 CA LEU A 82 2.526 4.106 -6.456 1.00 0.18 C ATOM 1295 C LEU A 82 3.961 3.725 -6.836 1.00 0.16 C ATOM 1296 O LEU A 82 4.458 2.679 -6.420 1.00 0.20 O ATOM 1297 CB LEU A 82 1.630 4.043 -7.708 1.00 0.24 C ATOM 1298 CG LEU A 82 2.057 4.892 -8.912 1.00 0.28 C ATOM 1299 CD1 LEU A 82 1.201 4.563 -10.121 1.00 1.06 C ATOM 1300 CD2 LEU A 82 1.960 6.373 -8.596 1.00 1.19 C ATOM 0 H LEU A 82 1.600 5.949 -6.112 1.00 0.16 H new ATOM 0 HA LEU A 82 2.190 3.382 -5.714 1.00 0.18 H new ATOM 0 HB2 LEU A 82 1.571 3.003 -8.030 1.00 0.24 H new ATOM 0 HB3 LEU A 82 0.623 4.345 -7.420 1.00 0.24 H new ATOM 0 HG LEU A 82 3.097 4.656 -9.137 1.00 0.28 H new ATOM 0 HD11 LEU A 82 1.516 5.174 -10.967 1.00 1.06 H new ATOM 0 HD12 LEU A 82 1.316 3.508 -10.372 1.00 1.06 H new ATOM 0 HD13 LEU A 82 0.155 4.770 -9.894 1.00 1.06 H new ATOM 0 HD21 LEU A 82 2.268 6.952 -9.467 1.00 1.19 H new ATOM 0 HD22 LEU A 82 0.931 6.624 -8.340 1.00 1.19 H new ATOM 0 HD23 LEU A 82 2.611 6.609 -7.754 1.00 1.19 H new ATOM 1312 N ASP A 83 4.640 4.581 -7.586 1.00 0.20 N ATOM 1313 CA ASP A 83 5.974 4.252 -8.073 1.00 0.24 C ATOM 1314 C ASP A 83 7.015 4.710 -7.072 1.00 0.26 C ATOM 1315 O ASP A 83 7.752 5.666 -7.308 1.00 0.56 O ATOM 1316 CB ASP A 83 6.244 4.881 -9.445 1.00 0.34 C ATOM 1317 CG ASP A 83 5.312 4.364 -10.524 1.00 1.21 C ATOM 1318 OD1 ASP A 83 5.220 3.131 -10.699 1.00 1.72 O ATOM 1319 OD2 ASP A 83 4.679 5.193 -11.213 1.00 2.00 O ATOM 0 H ASP A 83 4.295 5.498 -7.869 1.00 0.20 H new ATOM 0 HA ASP A 83 6.034 3.170 -8.188 1.00 0.24 H new ATOM 0 HB2 ASP A 83 6.140 5.963 -9.370 1.00 0.34 H new ATOM 0 HB3 ASP A 83 7.275 4.679 -9.735 1.00 0.34 H new ATOM 1324 N TYR A 84 7.042 4.043 -5.937 1.00 0.21 N ATOM 1325 CA TYR A 84 7.966 4.385 -4.882 1.00 0.19 C ATOM 1326 C TYR A 84 9.051 3.340 -4.757 1.00 0.21 C ATOM 1327 O TYR A 84 8.769 2.173 -4.512 1.00 0.33 O ATOM 1328 CB TYR A 84 7.235 4.516 -3.555 1.00 0.19 C ATOM 1329 CG TYR A 84 7.390 5.873 -2.927 1.00 0.19 C ATOM 1330 CD1 TYR A 84 8.642 6.365 -2.603 1.00 0.24 C ATOM 1331 CD2 TYR A 84 6.281 6.660 -2.664 1.00 0.19 C ATOM 1332 CE1 TYR A 84 8.791 7.609 -2.030 1.00 0.28 C ATOM 1333 CE2 TYR A 84 6.417 7.906 -2.094 1.00 0.21 C ATOM 1334 CZ TYR A 84 7.680 8.368 -1.760 1.00 0.25 C ATOM 1335 OH TYR A 84 7.801 9.628 -1.223 1.00 0.30 O ATOM 0 H TYR A 84 6.429 3.256 -5.723 1.00 0.21 H new ATOM 0 HA TYR A 84 8.424 5.341 -5.137 1.00 0.19 H new ATOM 0 HB2 TYR A 84 6.175 4.313 -3.709 1.00 0.19 H new ATOM 0 HB3 TYR A 84 7.608 3.759 -2.865 1.00 0.19 H new ATOM 0 HD1 TYR A 84 9.517 5.764 -2.803 1.00 0.24 H new ATOM 0 HD2 TYR A 84 5.296 6.291 -2.909 1.00 0.19 H new ATOM 0 HE1 TYR A 84 9.776 7.985 -1.795 1.00 0.28 H new ATOM 0 HE2 TYR A 84 5.547 8.518 -1.909 1.00 0.21 H new ATOM 0 HH TYR A 84 8.247 9.571 -0.352 1.00 0.30 H new ATOM 1345 N GLN A 85 10.291 3.779 -4.865 1.00 0.27 N ATOM 1346 CA GLN A 85 11.444 2.893 -4.771 1.00 0.28 C ATOM 1347 C GLN A 85 11.720 2.539 -3.309 1.00 0.24 C ATOM 1348 O GLN A 85 12.774 1.994 -2.978 1.00 0.28 O ATOM 1349 CB GLN A 85 12.673 3.569 -5.399 1.00 0.40 C ATOM 1350 CG GLN A 85 13.244 4.731 -4.585 1.00 0.70 C ATOM 1351 CD GLN A 85 12.320 5.937 -4.470 1.00 0.77 C ATOM 1352 OE1 GLN A 85 12.311 6.626 -3.449 1.00 1.74 O ATOM 1353 NE2 GLN A 85 11.559 6.226 -5.513 1.00 0.74 N ATOM 0 H GLN A 85 10.531 4.758 -5.020 1.00 0.27 H new ATOM 0 HA GLN A 85 11.231 1.973 -5.315 1.00 0.28 H new ATOM 0 HB2 GLN A 85 13.453 2.820 -5.536 1.00 0.40 H new ATOM 0 HB3 GLN A 85 12.404 3.934 -6.390 1.00 0.40 H new ATOM 0 HG2 GLN A 85 13.481 4.374 -3.583 1.00 0.70 H new ATOM 0 HG3 GLN A 85 14.182 5.050 -5.040 1.00 0.70 H new ATOM 0 HE21 GLN A 85 11.588 5.636 -6.345 1.00 0.74 H new ATOM 0 HE22 GLN A 85 10.943 7.038 -5.485 1.00 0.74 H new ATOM 1362 N LEU A 86 10.724 2.811 -2.463 1.00 0.22 N ATOM 1363 CA LEU A 86 10.839 2.710 -1.003 1.00 0.24 C ATOM 1364 C LEU A 86 11.929 3.644 -0.469 1.00 0.30 C ATOM 1365 O LEU A 86 12.937 3.893 -1.129 1.00 0.34 O ATOM 1366 CB LEU A 86 11.085 1.257 -0.560 1.00 0.25 C ATOM 1367 CG LEU A 86 9.989 0.260 -0.954 1.00 0.29 C ATOM 1368 CD1 LEU A 86 8.606 0.873 -0.768 1.00 0.75 C ATOM 1369 CD2 LEU A 86 10.198 -0.226 -2.379 1.00 0.86 C ATOM 0 H LEU A 86 9.801 3.112 -2.775 1.00 0.22 H new ATOM 0 HA LEU A 86 9.889 3.028 -0.574 1.00 0.24 H new ATOM 0 HB2 LEU A 86 12.030 0.920 -0.985 1.00 0.25 H new ATOM 0 HB3 LEU A 86 11.198 1.239 0.524 1.00 0.25 H new ATOM 0 HG LEU A 86 10.054 -0.605 -0.294 1.00 0.29 H new ATOM 0 HD11 LEU A 86 7.845 0.147 -1.054 1.00 0.75 H new ATOM 0 HD12 LEU A 86 8.469 1.150 0.277 1.00 0.75 H new ATOM 0 HD13 LEU A 86 8.514 1.761 -1.394 1.00 0.75 H new ATOM 0 HD21 LEU A 86 9.411 -0.933 -2.641 1.00 0.86 H new ATOM 0 HD22 LEU A 86 10.165 0.623 -3.062 1.00 0.86 H new ATOM 0 HD23 LEU A 86 11.168 -0.717 -2.457 1.00 0.86 H new ATOM 1381 N GLN A 87 11.718 4.194 0.712 1.00 0.39 N ATOM 1382 CA GLN A 87 12.679 5.135 1.259 1.00 0.51 C ATOM 1383 C GLN A 87 13.366 4.589 2.489 1.00 0.76 C ATOM 1384 O GLN A 87 14.569 4.329 2.449 1.00 1.74 O ATOM 1385 CB GLN A 87 12.040 6.509 1.511 1.00 0.46 C ATOM 1386 CG GLN A 87 10.684 6.484 2.205 1.00 0.86 C ATOM 1387 CD GLN A 87 9.536 6.840 1.271 1.00 0.65 C ATOM 1388 OE1 GLN A 87 9.220 8.017 1.085 1.00 1.18 O ATOM 1389 NE2 GLN A 87 8.881 5.834 0.704 1.00 0.48 N ATOM 0 H GLN A 87 10.906 4.011 1.302 1.00 0.39 H new ATOM 0 HA GLN A 87 13.457 5.278 0.509 1.00 0.51 H new ATOM 0 HB2 GLN A 87 12.726 7.104 2.113 1.00 0.46 H new ATOM 0 HB3 GLN A 87 11.930 7.020 0.555 1.00 0.46 H new ATOM 0 HG2 GLN A 87 10.513 5.492 2.622 1.00 0.86 H new ATOM 0 HG3 GLN A 87 10.696 7.183 3.041 1.00 0.86 H new ATOM 0 HE21 GLN A 87 9.171 4.872 0.881 1.00 0.48 H new ATOM 0 HE22 GLN A 87 8.088 6.023 0.091 1.00 0.48 H new ATOM 1398 N ASP A 88 12.619 4.425 3.561 1.00 0.43 N ATOM 1399 CA ASP A 88 13.119 3.763 4.756 1.00 0.40 C ATOM 1400 C ASP A 88 12.083 3.826 5.876 1.00 0.32 C ATOM 1401 O ASP A 88 11.569 4.902 6.192 1.00 0.36 O ATOM 1402 CB ASP A 88 14.454 4.362 5.244 1.00 0.56 C ATOM 1403 CG ASP A 88 14.346 5.796 5.729 1.00 1.40 C ATOM 1404 OD1 ASP A 88 14.279 6.710 4.882 1.00 2.44 O ATOM 1405 OD2 ASP A 88 14.301 6.018 6.957 1.00 1.53 O ATOM 0 H ASP A 88 11.653 4.744 3.632 1.00 0.43 H new ATOM 0 HA ASP A 88 13.303 2.723 4.487 1.00 0.40 H new ATOM 0 HB2 ASP A 88 14.844 3.744 6.053 1.00 0.56 H new ATOM 0 HB3 ASP A 88 15.179 4.318 4.431 1.00 0.56 H new ATOM 1410 N GLN A 89 11.757 2.661 6.449 1.00 0.31 N ATOM 1411 CA GLN A 89 10.817 2.569 7.572 1.00 0.34 C ATOM 1412 C GLN A 89 9.443 3.100 7.172 1.00 0.34 C ATOM 1413 O GLN A 89 8.642 3.494 8.019 1.00 0.42 O ATOM 1414 CB GLN A 89 11.352 3.336 8.786 1.00 0.40 C ATOM 1415 CG GLN A 89 12.630 2.747 9.367 1.00 0.62 C ATOM 1416 CD GLN A 89 12.417 1.371 9.967 1.00 0.77 C ATOM 1417 OE1 GLN A 89 12.114 1.236 11.150 1.00 1.56 O ATOM 1418 NE2 GLN A 89 12.582 0.335 9.161 1.00 0.71 N ATOM 0 H GLN A 89 12.134 1.762 6.150 1.00 0.31 H new ATOM 0 HA GLN A 89 10.714 1.518 7.843 1.00 0.34 H new ATOM 0 HB2 GLN A 89 11.537 4.371 8.498 1.00 0.40 H new ATOM 0 HB3 GLN A 89 10.585 3.353 9.561 1.00 0.40 H new ATOM 0 HG2 GLN A 89 13.386 2.685 8.584 1.00 0.62 H new ATOM 0 HG3 GLN A 89 13.019 3.417 10.133 1.00 0.62 H new ATOM 0 HE21 GLN A 89 12.834 0.484 8.184 1.00 0.71 H new ATOM 0 HE22 GLN A 89 12.458 -0.613 9.517 1.00 0.71 H new ATOM 1427 N ASP A 90 9.191 3.067 5.872 1.00 0.30 N ATOM 1428 CA ASP A 90 7.983 3.606 5.262 1.00 0.34 C ATOM 1429 C ASP A 90 6.750 2.932 5.843 1.00 0.32 C ATOM 1430 O ASP A 90 6.564 1.735 5.644 1.00 0.45 O ATOM 1431 CB ASP A 90 7.975 3.347 3.734 1.00 0.45 C ATOM 1432 CG ASP A 90 9.345 3.243 3.068 1.00 0.75 C ATOM 1433 OD1 ASP A 90 10.304 2.748 3.690 1.00 1.17 O ATOM 1434 OD2 ASP A 90 9.456 3.640 1.893 1.00 1.06 O ATOM 0 H ASP A 90 9.835 2.656 5.196 1.00 0.30 H new ATOM 0 HA ASP A 90 7.969 4.677 5.464 1.00 0.34 H new ATOM 0 HB2 ASP A 90 7.429 2.423 3.545 1.00 0.45 H new ATOM 0 HB3 ASP A 90 7.418 4.150 3.252 1.00 0.45 H new ATOM 1439 N SER A 91 5.904 3.662 6.564 1.00 0.23 N ATOM 1440 CA SER A 91 4.668 3.099 6.998 1.00 0.21 C ATOM 1441 C SER A 91 3.596 3.417 5.974 1.00 0.17 C ATOM 1442 O SER A 91 3.027 4.504 5.966 1.00 0.17 O ATOM 1443 CB SER A 91 4.310 3.670 8.350 1.00 0.25 C ATOM 1444 OG SER A 91 5.360 3.478 9.283 1.00 1.14 O ATOM 0 H SER A 91 6.064 4.629 6.847 1.00 0.23 H new ATOM 0 HA SER A 91 4.753 2.016 7.091 1.00 0.21 H new ATOM 0 HB2 SER A 91 4.097 4.734 8.253 1.00 0.25 H new ATOM 0 HB3 SER A 91 3.401 3.195 8.719 1.00 0.25 H new ATOM 0 HG SER A 91 5.102 3.858 10.149 1.00 1.14 H new ATOM 1450 N ILE A 92 3.357 2.472 5.094 1.00 0.17 N ATOM 1451 CA ILE A 92 2.412 2.657 4.014 1.00 0.15 C ATOM 1452 C ILE A 92 1.032 2.232 4.481 1.00 0.14 C ATOM 1453 O ILE A 92 0.763 1.044 4.661 1.00 0.17 O ATOM 1454 CB ILE A 92 2.820 1.844 2.764 1.00 0.17 C ATOM 1455 CG1 ILE A 92 4.320 2.007 2.470 1.00 0.19 C ATOM 1456 CG2 ILE A 92 1.994 2.267 1.560 1.00 0.19 C ATOM 1457 CD1 ILE A 92 4.778 3.449 2.335 1.00 0.21 C ATOM 0 H ILE A 92 3.809 1.558 5.105 1.00 0.17 H new ATOM 0 HA ILE A 92 2.403 3.711 3.737 1.00 0.15 H new ATOM 0 HB ILE A 92 2.625 0.791 2.966 1.00 0.17 H new ATOM 0 HG12 ILE A 92 4.889 1.531 3.269 1.00 0.19 H new ATOM 0 HG13 ILE A 92 4.558 1.475 1.549 1.00 0.19 H new ATOM 0 HG21 ILE A 92 2.295 1.684 0.689 1.00 0.19 H new ATOM 0 HG22 ILE A 92 0.937 2.094 1.765 1.00 0.19 H new ATOM 0 HG23 ILE A 92 2.157 3.326 1.361 1.00 0.19 H new ATOM 0 HD11 ILE A 92 5.848 3.473 2.128 1.00 0.21 H new ATOM 0 HD12 ILE A 92 4.239 3.927 1.517 1.00 0.21 H new ATOM 0 HD13 ILE A 92 4.576 3.983 3.263 1.00 0.21 H new ATOM 1469 N LEU A 93 0.169 3.204 4.693 1.00 0.13 N ATOM 1470 CA LEU A 93 -1.145 2.930 5.237 1.00 0.14 C ATOM 1471 C LEU A 93 -2.226 3.284 4.229 1.00 0.14 C ATOM 1472 O LEU A 93 -2.239 4.386 3.682 1.00 0.19 O ATOM 1473 CB LEU A 93 -1.368 3.729 6.525 1.00 0.18 C ATOM 1474 CG LEU A 93 -2.134 2.989 7.627 1.00 0.32 C ATOM 1475 CD1 LEU A 93 -2.390 3.905 8.807 1.00 0.63 C ATOM 1476 CD2 LEU A 93 -3.445 2.435 7.095 1.00 0.56 C ATOM 0 H LEU A 93 0.353 4.188 4.498 1.00 0.13 H new ATOM 0 HA LEU A 93 -1.202 1.865 5.461 1.00 0.14 H new ATOM 0 HB2 LEU A 93 -0.398 4.031 6.919 1.00 0.18 H new ATOM 0 HB3 LEU A 93 -1.910 4.642 6.278 1.00 0.18 H new ATOM 0 HG LEU A 93 -1.519 2.154 7.963 1.00 0.32 H new ATOM 0 HD11 LEU A 93 -2.935 3.361 9.578 1.00 0.63 H new ATOM 0 HD12 LEU A 93 -1.439 4.252 9.211 1.00 0.63 H new ATOM 0 HD13 LEU A 93 -2.980 4.761 8.481 1.00 0.63 H new ATOM 0 HD21 LEU A 93 -3.971 1.914 7.895 1.00 0.56 H new ATOM 0 HD22 LEU A 93 -4.063 3.254 6.727 1.00 0.56 H new ATOM 0 HD23 LEU A 93 -3.242 1.739 6.281 1.00 0.56 H new ATOM 1488 N PHE A 94 -3.127 2.347 3.991 1.00 0.13 N ATOM 1489 CA PHE A 94 -4.279 2.604 3.147 1.00 0.14 C ATOM 1490 C PHE A 94 -5.451 3.079 4.004 1.00 0.13 C ATOM 1491 O PHE A 94 -5.974 2.341 4.845 1.00 0.15 O ATOM 1492 CB PHE A 94 -4.650 1.344 2.363 1.00 0.18 C ATOM 1493 CG PHE A 94 -3.583 0.910 1.394 1.00 0.21 C ATOM 1494 CD1 PHE A 94 -2.448 0.243 1.836 1.00 0.27 C ATOM 1495 CD2 PHE A 94 -3.713 1.174 0.041 1.00 0.26 C ATOM 1496 CE1 PHE A 94 -1.466 -0.148 0.946 1.00 0.32 C ATOM 1497 CE2 PHE A 94 -2.733 0.785 -0.852 1.00 0.31 C ATOM 1498 CZ PHE A 94 -1.609 0.122 -0.400 1.00 0.33 C ATOM 0 H PHE A 94 -3.082 1.401 4.371 1.00 0.13 H new ATOM 0 HA PHE A 94 -4.034 3.388 2.431 1.00 0.14 H new ATOM 0 HB2 PHE A 94 -4.846 0.533 3.064 1.00 0.18 H new ATOM 0 HB3 PHE A 94 -5.576 1.524 1.817 1.00 0.18 H new ATOM 0 HD1 PHE A 94 -2.331 0.027 2.888 1.00 0.27 H new ATOM 0 HD2 PHE A 94 -4.590 1.690 -0.320 1.00 0.26 H new ATOM 0 HE1 PHE A 94 -0.587 -0.664 1.303 1.00 0.32 H new ATOM 0 HE2 PHE A 94 -2.846 1.000 -1.904 1.00 0.31 H new ATOM 0 HZ PHE A 94 -0.844 -0.184 -1.098 1.00 0.33 H new ATOM 1508 N ILE A 95 -5.860 4.315 3.777 1.00 0.13 N ATOM 1509 CA ILE A 95 -6.911 4.945 4.561 1.00 0.17 C ATOM 1510 C ILE A 95 -8.065 5.361 3.668 1.00 0.18 C ATOM 1511 O ILE A 95 -7.959 6.332 2.926 1.00 0.20 O ATOM 1512 CB ILE A 95 -6.383 6.194 5.306 1.00 0.26 C ATOM 1513 CG1 ILE A 95 -5.318 5.803 6.329 1.00 0.27 C ATOM 1514 CG2 ILE A 95 -7.522 6.944 5.989 1.00 0.35 C ATOM 1515 CD1 ILE A 95 -5.842 4.898 7.419 1.00 1.16 C ATOM 0 H ILE A 95 -5.474 4.911 3.045 1.00 0.13 H new ATOM 0 HA ILE A 95 -7.254 4.212 5.291 1.00 0.17 H new ATOM 0 HB ILE A 95 -5.930 6.857 4.569 1.00 0.26 H new ATOM 0 HG12 ILE A 95 -4.496 5.304 5.815 1.00 0.27 H new ATOM 0 HG13 ILE A 95 -4.909 6.707 6.781 1.00 0.27 H new ATOM 0 HG21 ILE A 95 -7.124 7.818 6.506 1.00 0.35 H new ATOM 0 HG22 ILE A 95 -8.247 7.264 5.241 1.00 0.35 H new ATOM 0 HG23 ILE A 95 -8.010 6.287 6.710 1.00 0.35 H new ATOM 0 HD11 ILE A 95 -5.035 4.658 8.112 1.00 1.16 H new ATOM 0 HD12 ILE A 95 -6.644 5.403 7.957 1.00 1.16 H new ATOM 0 HD13 ILE A 95 -6.225 3.979 6.976 1.00 1.16 H new ATOM 1527 N SER A 96 -9.159 4.623 3.718 1.00 0.20 N ATOM 1528 CA SER A 96 -10.327 4.998 2.950 1.00 0.24 C ATOM 1529 C SER A 96 -11.010 6.175 3.626 1.00 0.28 C ATOM 1530 O SER A 96 -11.508 6.058 4.746 1.00 0.35 O ATOM 1531 CB SER A 96 -11.288 3.817 2.808 1.00 0.31 C ATOM 1532 OG SER A 96 -12.302 4.089 1.855 1.00 0.37 O ATOM 0 H SER A 96 -9.261 3.774 4.274 1.00 0.20 H new ATOM 0 HA SER A 96 -10.019 5.290 1.946 1.00 0.24 H new ATOM 0 HB2 SER A 96 -10.733 2.928 2.508 1.00 0.31 H new ATOM 0 HB3 SER A 96 -11.743 3.598 3.774 1.00 0.31 H new ATOM 0 HG SER A 96 -13.118 3.604 2.098 1.00 0.37 H new ATOM 1538 N THR A 97 -11.029 7.309 2.942 1.00 0.27 N ATOM 1539 CA THR A 97 -11.549 8.529 3.526 1.00 0.36 C ATOM 1540 C THR A 97 -13.066 8.601 3.378 1.00 0.48 C ATOM 1541 O THR A 97 -13.735 9.386 4.050 1.00 0.58 O ATOM 1542 CB THR A 97 -10.877 9.778 2.906 1.00 0.34 C ATOM 1543 OG1 THR A 97 -11.403 10.976 3.494 1.00 0.43 O ATOM 1544 CG2 THR A 97 -11.072 9.821 1.396 1.00 0.35 C ATOM 0 H THR A 97 -10.691 7.407 1.985 1.00 0.27 H new ATOM 0 HA THR A 97 -11.311 8.515 4.590 1.00 0.36 H new ATOM 0 HB THR A 97 -9.809 9.713 3.114 1.00 0.34 H new ATOM 0 HG1 THR A 97 -12.316 10.812 3.810 1.00 0.43 H new ATOM 0 HG21 THR A 97 -10.588 10.710 0.992 1.00 0.35 H new ATOM 0 HG22 THR A 97 -10.630 8.932 0.947 1.00 0.35 H new ATOM 0 HG23 THR A 97 -12.137 9.852 1.167 1.00 0.35 H new