USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=14 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 8 LYS NZ :NH3+ 161:sc= 0.649 (180deg=0) USER MOD Set 1.2: A 91 SER OG : rot -63:sc= 0.59 USER MOD Set 2.1: A 24 LYS NZ :NH3+ 177:sc=-0.00594 (180deg=-0.0097) USER MOD Set 2.2: A 26 GLN : amide:sc= 0.0175 K(o=0.012,f=-2) USER MOD Single : A 6 CYS SG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -148:sc= 1.25 (180deg=0.0126) USER MOD Single : A 25 HIS : no HD1:sc= -0.029 X(o=-0.029,f=0) USER MOD Single : A 40 ASN : amide:sc= 0.36 K(o=0.36,f=-4.7!) USER MOD Single : A 46 LYS NZ :NH3+ 169:sc= 0.675 (180deg=0.606) USER MOD Single : A 47 LYS NZ :NH3+ -158:sc= -0.104 (180deg=-0.55) USER MOD Single : A 48 ASN : amide:sc=-0.00383 X(o=-0.0038,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 136:sc= 0.498 (180deg=-0.97) USER MOD Single : A 59 GLN :FLIP amide:sc= -1.42 F(o=-2.8!,f=-1.4) USER MOD Single : A 62 SER OG : rot 100:sc= -0.107 USER MOD Single : A 72 ASN : amide:sc= -2.54 X(o=-2.5,f=-2.1) USER MOD Single : A 84 TYR OH : rot 30:sc= -3.44! USER MOD Single : A 85 GLN :FLIP amide:sc= -2.64! C(o=-5.6!,f=-2.6!) USER MOD Single : A 87 GLN : amide:sc= -2.18 K(o=-2.2,f=-7.9!) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -27:sc= 0.187 USER MOD ----------------------------------------------------------------- ATOM 48 N LEU A 5 16.273 -1.539 3.594 1.00 0.43 N ATOM 49 CA LEU A 5 15.220 -0.837 4.303 1.00 0.45 C ATOM 50 C LEU A 5 13.991 -1.728 4.446 1.00 0.37 C ATOM 51 O LEU A 5 13.791 -2.651 3.657 1.00 0.42 O ATOM 52 CB LEU A 5 14.884 0.463 3.556 1.00 0.52 C ATOM 53 CG LEU A 5 14.287 0.299 2.153 1.00 0.60 C ATOM 54 CD1 LEU A 5 12.780 0.167 2.234 1.00 1.28 C ATOM 55 CD2 LEU A 5 14.668 1.469 1.257 1.00 1.27 C ATOM 0 HA LEU A 5 15.561 -0.584 5.307 1.00 0.45 H new ATOM 0 HB2 LEU A 5 14.183 1.036 4.163 1.00 0.52 H new ATOM 0 HB3 LEU A 5 15.794 1.057 3.474 1.00 0.52 H new ATOM 0 HG LEU A 5 14.697 -0.611 1.715 1.00 0.60 H new ATOM 0 HD11 LEU A 5 12.370 0.051 1.231 1.00 1.28 H new ATOM 0 HD12 LEU A 5 12.523 -0.706 2.834 1.00 1.28 H new ATOM 0 HD13 LEU A 5 12.361 1.061 2.696 1.00 1.28 H new ATOM 0 HD21 LEU A 5 14.232 1.327 0.268 1.00 1.27 H new ATOM 0 HD22 LEU A 5 14.292 2.396 1.690 1.00 1.27 H new ATOM 0 HD23 LEU A 5 15.753 1.523 1.170 1.00 1.27 H new ATOM 67 N CYS A 6 13.182 -1.462 5.456 1.00 0.34 N ATOM 68 CA CYS A 6 11.933 -2.183 5.639 1.00 0.31 C ATOM 69 C CYS A 6 10.775 -1.191 5.642 1.00 0.24 C ATOM 70 O CYS A 6 10.881 -0.114 6.232 1.00 0.27 O ATOM 71 CB CYS A 6 11.958 -2.966 6.954 1.00 0.40 C ATOM 72 SG CYS A 6 13.526 -3.797 7.289 1.00 1.35 S ATOM 0 H CYS A 6 13.367 -0.751 6.164 1.00 0.34 H new ATOM 0 HA CYS A 6 11.804 -2.890 4.820 1.00 0.31 H new ATOM 0 HB2 CYS A 6 11.738 -2.283 7.775 1.00 0.40 H new ATOM 0 HB3 CYS A 6 11.162 -3.710 6.936 1.00 0.40 H new ATOM 0 HG CYS A 6 13.449 -4.429 8.422 1.00 1.35 H new ATOM 78 N VAL A 7 9.686 -1.541 4.971 1.00 0.24 N ATOM 79 CA VAL A 7 8.530 -0.661 4.876 1.00 0.25 C ATOM 80 C VAL A 7 7.301 -1.350 5.464 1.00 0.25 C ATOM 81 O VAL A 7 7.122 -2.564 5.311 1.00 0.31 O ATOM 82 CB VAL A 7 8.270 -0.233 3.411 1.00 0.28 C ATOM 83 CG1 VAL A 7 9.498 0.440 2.839 1.00 0.64 C ATOM 84 CG2 VAL A 7 7.858 -1.410 2.542 1.00 0.61 C ATOM 0 H VAL A 7 9.579 -2.431 4.483 1.00 0.24 H new ATOM 0 HA VAL A 7 8.737 0.242 5.450 1.00 0.25 H new ATOM 0 HB VAL A 7 7.442 0.475 3.415 1.00 0.28 H new ATOM 0 HG11 VAL A 7 9.304 0.737 1.808 1.00 0.64 H new ATOM 0 HG12 VAL A 7 9.738 1.323 3.432 1.00 0.64 H new ATOM 0 HG13 VAL A 7 10.338 -0.254 2.864 1.00 0.64 H new ATOM 0 HG21 VAL A 7 7.685 -1.066 1.522 1.00 0.61 H new ATOM 0 HG22 VAL A 7 8.651 -2.158 2.543 1.00 0.61 H new ATOM 0 HG23 VAL A 7 6.942 -1.851 2.936 1.00 0.61 H new ATOM 94 N LYS A 8 6.475 -0.589 6.164 1.00 0.26 N ATOM 95 CA LYS A 8 5.300 -1.147 6.816 1.00 0.28 C ATOM 96 C LYS A 8 4.059 -0.875 5.985 1.00 0.28 C ATOM 97 O LYS A 8 3.745 0.272 5.699 1.00 0.38 O ATOM 98 CB LYS A 8 5.114 -0.544 8.212 1.00 0.35 C ATOM 99 CG LYS A 8 3.994 -1.200 9.008 1.00 0.61 C ATOM 100 CD LYS A 8 3.087 -0.175 9.680 1.00 0.86 C ATOM 101 CE LYS A 8 3.840 0.687 10.679 1.00 1.08 C ATOM 102 NZ LYS A 8 2.935 1.647 11.366 1.00 1.61 N ATOM 0 H LYS A 8 6.596 0.415 6.295 1.00 0.26 H new ATOM 0 HA LYS A 8 5.448 -2.223 6.911 1.00 0.28 H new ATOM 0 HB2 LYS A 8 6.047 -0.637 8.767 1.00 0.35 H new ATOM 0 HB3 LYS A 8 4.905 0.521 8.115 1.00 0.35 H new ATOM 0 HG2 LYS A 8 3.400 -1.829 8.345 1.00 0.61 H new ATOM 0 HG3 LYS A 8 4.425 -1.854 9.766 1.00 0.61 H new ATOM 0 HD2 LYS A 8 2.636 0.462 8.920 1.00 0.86 H new ATOM 0 HD3 LYS A 8 2.272 -0.691 10.188 1.00 0.86 H new ATOM 0 HE2 LYS A 8 4.324 0.049 11.419 1.00 1.08 H new ATOM 0 HE3 LYS A 8 4.630 1.235 10.165 1.00 1.08 H new ATOM 0 HZ1 LYS A 8 3.386 1.984 12.241 1.00 1.61 H new ATOM 0 HZ2 LYS A 8 2.747 2.456 10.740 1.00 1.61 H new ATOM 0 HZ3 LYS A 8 2.039 1.174 11.599 1.00 1.61 H new ATOM 116 N VAL A 9 3.360 -1.928 5.601 1.00 0.25 N ATOM 117 CA VAL A 9 2.116 -1.786 4.864 1.00 0.26 C ATOM 118 C VAL A 9 0.951 -2.155 5.767 1.00 0.23 C ATOM 119 O VAL A 9 0.924 -3.246 6.331 1.00 0.27 O ATOM 120 CB VAL A 9 2.094 -2.679 3.605 1.00 0.30 C ATOM 121 CG1 VAL A 9 0.766 -2.549 2.877 1.00 0.89 C ATOM 122 CG2 VAL A 9 3.256 -2.338 2.680 1.00 0.77 C ATOM 0 H VAL A 9 3.633 -2.893 5.787 1.00 0.25 H new ATOM 0 HA VAL A 9 2.031 -0.748 4.541 1.00 0.26 H new ATOM 0 HB VAL A 9 2.207 -3.716 3.921 1.00 0.30 H new ATOM 0 HG11 VAL A 9 0.772 -3.187 1.993 1.00 0.89 H new ATOM 0 HG12 VAL A 9 -0.044 -2.855 3.540 1.00 0.89 H new ATOM 0 HG13 VAL A 9 0.616 -1.512 2.576 1.00 0.89 H new ATOM 0 HG21 VAL A 9 3.221 -2.980 1.800 1.00 0.77 H new ATOM 0 HG22 VAL A 9 3.182 -1.295 2.372 1.00 0.77 H new ATOM 0 HG23 VAL A 9 4.198 -2.495 3.206 1.00 0.77 H new ATOM 132 N GLU A 10 0.010 -1.247 5.935 1.00 0.21 N ATOM 133 CA GLU A 10 -1.108 -1.499 6.822 1.00 0.23 C ATOM 134 C GLU A 10 -2.394 -0.870 6.288 1.00 0.25 C ATOM 135 O GLU A 10 -2.362 0.041 5.457 1.00 0.26 O ATOM 136 CB GLU A 10 -0.774 -0.976 8.222 1.00 0.28 C ATOM 137 CG GLU A 10 -1.808 -1.317 9.282 1.00 0.37 C ATOM 138 CD GLU A 10 -1.317 -1.010 10.676 1.00 0.48 C ATOM 139 OE1 GLU A 10 -0.949 0.155 10.935 1.00 1.08 O ATOM 140 OE2 GLU A 10 -1.307 -1.926 11.524 1.00 0.99 O ATOM 0 H GLU A 10 -0.004 -0.337 5.474 1.00 0.21 H new ATOM 0 HA GLU A 10 -1.280 -2.574 6.877 1.00 0.23 H new ATOM 0 HB2 GLU A 10 0.190 -1.382 8.528 1.00 0.28 H new ATOM 0 HB3 GLU A 10 -0.663 0.107 8.175 1.00 0.28 H new ATOM 0 HG2 GLU A 10 -2.723 -0.756 9.089 1.00 0.37 H new ATOM 0 HG3 GLU A 10 -2.062 -2.375 9.213 1.00 0.37 H new ATOM 147 N PHE A 11 -3.521 -1.386 6.761 1.00 0.30 N ATOM 148 CA PHE A 11 -4.833 -0.882 6.388 1.00 0.34 C ATOM 149 C PHE A 11 -5.510 -0.246 7.594 1.00 0.34 C ATOM 150 O PHE A 11 -5.463 -0.795 8.695 1.00 0.74 O ATOM 151 CB PHE A 11 -5.685 -2.023 5.833 1.00 0.74 C ATOM 152 CG PHE A 11 -5.037 -2.711 4.672 1.00 2.12 C ATOM 153 CD1 PHE A 11 -4.903 -2.068 3.456 1.00 2.89 C ATOM 154 CD2 PHE A 11 -4.584 -4.011 4.794 1.00 2.77 C ATOM 155 CE1 PHE A 11 -4.327 -2.706 2.381 1.00 4.21 C ATOM 156 CE2 PHE A 11 -4.004 -4.657 3.721 1.00 4.09 C ATOM 157 CZ PHE A 11 -3.803 -3.968 2.533 1.00 4.80 C ATOM 0 H PHE A 11 -3.549 -2.168 7.416 1.00 0.30 H new ATOM 0 HA PHE A 11 -4.720 -0.121 5.616 1.00 0.34 H new ATOM 0 HB2 PHE A 11 -5.872 -2.750 6.623 1.00 0.74 H new ATOM 0 HB3 PHE A 11 -6.654 -1.631 5.524 1.00 0.74 H new ATOM 0 HD1 PHE A 11 -5.255 -1.053 3.348 1.00 2.89 H new ATOM 0 HD2 PHE A 11 -4.685 -4.526 5.738 1.00 2.77 H new ATOM 0 HE1 PHE A 11 -4.287 -2.216 1.419 1.00 4.21 H new ATOM 0 HE2 PHE A 11 -3.708 -5.692 3.805 1.00 4.09 H new ATOM 0 HZ PHE A 11 -3.238 -4.421 1.732 1.00 4.80 H new ATOM 167 N GLY A 12 -6.133 0.908 7.391 1.00 0.23 N ATOM 168 CA GLY A 12 -6.668 1.656 8.515 1.00 0.39 C ATOM 169 C GLY A 12 -8.087 2.152 8.309 1.00 0.28 C ATOM 170 O GLY A 12 -8.908 2.067 9.220 1.00 0.34 O ATOM 0 H GLY A 12 -6.277 1.337 6.477 1.00 0.23 H new ATOM 0 HA2 GLY A 12 -6.640 1.025 9.404 1.00 0.39 H new ATOM 0 HA3 GLY A 12 -6.020 2.511 8.710 1.00 0.39 H new ATOM 174 N GLY A 13 -8.381 2.667 7.114 1.00 0.24 N ATOM 175 CA GLY A 13 -9.696 3.251 6.847 1.00 0.26 C ATOM 176 C GLY A 13 -10.787 2.212 6.673 1.00 0.29 C ATOM 177 O GLY A 13 -11.507 2.231 5.680 1.00 0.45 O ATOM 0 H GLY A 13 -7.735 2.692 6.325 1.00 0.24 H new ATOM 0 HA2 GLY A 13 -9.964 3.916 7.668 1.00 0.26 H new ATOM 0 HA3 GLY A 13 -9.639 3.863 5.947 1.00 0.26 H new ATOM 181 N GLY A 14 -10.909 1.305 7.637 1.00 0.28 N ATOM 182 CA GLY A 14 -11.844 0.200 7.511 1.00 0.35 C ATOM 183 C GLY A 14 -11.490 -0.692 6.338 1.00 0.36 C ATOM 184 O GLY A 14 -12.296 -1.500 5.889 1.00 0.41 O ATOM 0 H GLY A 14 -10.375 1.315 8.506 1.00 0.28 H new ATOM 0 HA2 GLY A 14 -11.843 -0.387 8.430 1.00 0.35 H new ATOM 0 HA3 GLY A 14 -12.854 0.589 7.383 1.00 0.35 H new ATOM 188 N ALA A 15 -10.260 -0.547 5.860 1.00 0.35 N ATOM 189 CA ALA A 15 -9.816 -1.226 4.656 1.00 0.39 C ATOM 190 C ALA A 15 -9.600 -2.709 4.912 1.00 0.39 C ATOM 191 O ALA A 15 -9.831 -3.529 4.036 1.00 0.42 O ATOM 192 CB ALA A 15 -8.545 -0.570 4.134 1.00 0.44 C ATOM 0 H ALA A 15 -9.549 0.041 6.295 1.00 0.35 H new ATOM 0 HA ALA A 15 -10.593 -1.137 3.897 1.00 0.39 H new ATOM 0 HB1 ALA A 15 -8.216 -1.083 3.230 1.00 0.44 H new ATOM 0 HB2 ALA A 15 -8.744 0.477 3.905 1.00 0.44 H new ATOM 0 HB3 ALA A 15 -7.765 -0.634 4.892 1.00 0.44 H new ATOM 198 N GLU A 16 -9.194 -3.051 6.128 1.00 0.38 N ATOM 199 CA GLU A 16 -8.908 -4.439 6.485 1.00 0.38 C ATOM 200 C GLU A 16 -10.123 -5.335 6.307 1.00 0.36 C ATOM 201 O GLU A 16 -9.980 -6.531 6.073 1.00 0.37 O ATOM 202 CB GLU A 16 -8.380 -4.534 7.918 1.00 0.45 C ATOM 203 CG GLU A 16 -9.272 -3.846 8.942 1.00 0.57 C ATOM 204 CD GLU A 16 -8.706 -3.886 10.344 1.00 1.19 C ATOM 205 OE1 GLU A 16 -8.962 -4.872 11.062 1.00 1.54 O ATOM 206 OE2 GLU A 16 -7.982 -2.943 10.727 1.00 1.60 O ATOM 0 H GLU A 16 -9.054 -2.385 6.888 1.00 0.38 H new ATOM 0 HA GLU A 16 -8.136 -4.793 5.802 1.00 0.38 H new ATOM 0 HB2 GLU A 16 -8.274 -5.585 8.188 1.00 0.45 H new ATOM 0 HB3 GLU A 16 -7.385 -4.092 7.960 1.00 0.45 H new ATOM 0 HG2 GLU A 16 -9.421 -2.808 8.646 1.00 0.57 H new ATOM 0 HG3 GLU A 16 -10.253 -4.322 8.939 1.00 0.57 H new ATOM 213 N LEU A 17 -11.315 -4.764 6.423 1.00 0.35 N ATOM 214 CA LEU A 17 -12.547 -5.518 6.218 1.00 0.37 C ATOM 215 C LEU A 17 -12.599 -6.091 4.796 1.00 0.36 C ATOM 216 O LEU A 17 -13.268 -7.093 4.538 1.00 0.41 O ATOM 217 CB LEU A 17 -13.761 -4.621 6.471 1.00 0.39 C ATOM 218 CG LEU A 17 -13.809 -3.964 7.855 1.00 0.41 C ATOM 219 CD1 LEU A 17 -14.995 -3.018 7.955 1.00 0.88 C ATOM 220 CD2 LEU A 17 -13.878 -5.022 8.945 1.00 0.83 C ATOM 0 H LEU A 17 -11.456 -3.781 6.658 1.00 0.35 H new ATOM 0 HA LEU A 17 -12.567 -6.348 6.925 1.00 0.37 H new ATOM 0 HB2 LEU A 17 -13.778 -3.837 5.714 1.00 0.39 H new ATOM 0 HB3 LEU A 17 -14.665 -5.214 6.336 1.00 0.39 H new ATOM 0 HG LEU A 17 -12.895 -3.386 7.993 1.00 0.41 H new ATOM 0 HD11 LEU A 17 -15.013 -2.561 8.944 1.00 0.88 H new ATOM 0 HD12 LEU A 17 -14.905 -2.240 7.197 1.00 0.88 H new ATOM 0 HD13 LEU A 17 -15.919 -3.574 7.795 1.00 0.88 H new ATOM 0 HD21 LEU A 17 -13.911 -4.537 9.921 1.00 0.83 H new ATOM 0 HD22 LEU A 17 -14.775 -5.626 8.809 1.00 0.83 H new ATOM 0 HD23 LEU A 17 -12.997 -5.662 8.888 1.00 0.83 H new ATOM 232 N LEU A 18 -11.859 -5.459 3.889 1.00 0.35 N ATOM 233 CA LEU A 18 -11.778 -5.900 2.498 1.00 0.39 C ATOM 234 C LEU A 18 -10.925 -7.155 2.398 1.00 0.42 C ATOM 235 O LEU A 18 -11.016 -7.920 1.436 1.00 0.49 O ATOM 236 CB LEU A 18 -11.149 -4.802 1.638 1.00 0.38 C ATOM 237 CG LEU A 18 -11.938 -3.492 1.565 1.00 0.42 C ATOM 238 CD1 LEU A 18 -11.058 -2.372 1.041 1.00 0.47 C ATOM 239 CD2 LEU A 18 -13.157 -3.653 0.671 1.00 0.49 C ATOM 0 H LEU A 18 -11.301 -4.631 4.095 1.00 0.35 H new ATOM 0 HA LEU A 18 -12.786 -6.113 2.142 1.00 0.39 H new ATOM 0 HB2 LEU A 18 -10.154 -4.586 2.026 1.00 0.38 H new ATOM 0 HB3 LEU A 18 -11.020 -5.186 0.626 1.00 0.38 H new ATOM 0 HG LEU A 18 -12.271 -3.238 2.571 1.00 0.42 H new ATOM 0 HD11 LEU A 18 -11.634 -1.448 0.995 1.00 0.47 H new ATOM 0 HD12 LEU A 18 -10.206 -2.236 1.708 1.00 0.47 H new ATOM 0 HD13 LEU A 18 -10.701 -2.627 0.043 1.00 0.47 H new ATOM 0 HD21 LEU A 18 -13.706 -2.712 0.631 1.00 0.49 H new ATOM 0 HD22 LEU A 18 -12.837 -3.930 -0.334 1.00 0.49 H new ATOM 0 HD23 LEU A 18 -13.803 -4.433 1.074 1.00 0.49 H new ATOM 251 N PHE A 19 -10.090 -7.351 3.407 1.00 0.39 N ATOM 252 CA PHE A 19 -9.134 -8.443 3.413 1.00 0.47 C ATOM 253 C PHE A 19 -9.425 -9.394 4.569 1.00 0.60 C ATOM 254 O PHE A 19 -8.638 -10.294 4.866 1.00 0.97 O ATOM 255 CB PHE A 19 -7.727 -7.864 3.539 1.00 0.45 C ATOM 256 CG PHE A 19 -7.511 -6.659 2.664 1.00 0.43 C ATOM 257 CD1 PHE A 19 -7.176 -6.802 1.336 1.00 0.42 C ATOM 258 CD2 PHE A 19 -7.648 -5.379 3.176 1.00 0.71 C ATOM 259 CE1 PHE A 19 -6.975 -5.702 0.532 1.00 0.52 C ATOM 260 CE2 PHE A 19 -7.450 -4.274 2.375 1.00 0.75 C ATOM 261 CZ PHE A 19 -7.112 -4.435 1.052 1.00 0.59 C ATOM 0 H PHE A 19 -10.057 -6.761 4.238 1.00 0.39 H new ATOM 0 HA PHE A 19 -9.214 -9.007 2.484 1.00 0.47 H new ATOM 0 HB2 PHE A 19 -7.544 -7.590 4.578 1.00 0.45 H new ATOM 0 HB3 PHE A 19 -6.999 -8.632 3.278 1.00 0.45 H new ATOM 0 HD1 PHE A 19 -7.069 -7.792 0.918 1.00 0.42 H new ATOM 0 HD2 PHE A 19 -7.913 -5.245 4.214 1.00 0.71 H new ATOM 0 HE1 PHE A 19 -6.710 -5.834 -0.507 1.00 0.52 H new ATOM 0 HE2 PHE A 19 -7.560 -3.282 2.787 1.00 0.75 H new ATOM 0 HZ PHE A 19 -6.955 -3.571 0.423 1.00 0.59 H new ATOM 271 N ASP A 20 -10.581 -9.185 5.192 1.00 0.55 N ATOM 272 CA ASP A 20 -11.022 -9.952 6.361 1.00 0.69 C ATOM 273 C ASP A 20 -10.123 -9.695 7.574 1.00 0.72 C ATOM 274 O ASP A 20 -9.404 -10.579 8.044 1.00 1.07 O ATOM 275 CB ASP A 20 -11.111 -11.453 6.051 1.00 0.80 C ATOM 276 CG ASP A 20 -11.715 -12.245 7.194 1.00 1.16 C ATOM 277 OD1 ASP A 20 -12.941 -12.140 7.415 1.00 1.55 O ATOM 278 OD2 ASP A 20 -10.963 -12.964 7.886 1.00 1.28 O ATOM 0 H ASP A 20 -11.248 -8.471 4.899 1.00 0.55 H new ATOM 0 HA ASP A 20 -12.025 -9.606 6.611 1.00 0.69 H new ATOM 0 HB2 ASP A 20 -11.711 -11.601 5.153 1.00 0.80 H new ATOM 0 HB3 ASP A 20 -10.114 -11.836 5.834 1.00 0.80 H new ATOM 283 N GLY A 21 -10.148 -8.452 8.042 1.00 0.57 N ATOM 284 CA GLY A 21 -9.460 -8.070 9.267 1.00 0.59 C ATOM 285 C GLY A 21 -7.947 -8.189 9.196 1.00 0.59 C ATOM 286 O GLY A 21 -7.281 -8.296 10.227 1.00 0.79 O ATOM 0 H GLY A 21 -10.643 -7.686 7.585 1.00 0.57 H new ATOM 0 HA2 GLY A 21 -9.721 -7.040 9.511 1.00 0.59 H new ATOM 0 HA3 GLY A 21 -9.824 -8.693 10.084 1.00 0.59 H new ATOM 290 N VAL A 22 -7.403 -8.182 7.989 1.00 0.51 N ATOM 291 CA VAL A 22 -5.956 -8.173 7.809 1.00 0.53 C ATOM 292 C VAL A 22 -5.496 -6.754 7.522 1.00 0.45 C ATOM 293 O VAL A 22 -5.942 -6.140 6.555 1.00 0.47 O ATOM 294 CB VAL A 22 -5.509 -9.100 6.659 1.00 0.68 C ATOM 295 CG1 VAL A 22 -3.995 -9.086 6.510 1.00 1.02 C ATOM 296 CG2 VAL A 22 -6.004 -10.514 6.891 1.00 1.41 C ATOM 0 H VAL A 22 -7.938 -8.182 7.121 1.00 0.51 H new ATOM 0 HA VAL A 22 -5.503 -8.544 8.728 1.00 0.53 H new ATOM 0 HB VAL A 22 -5.947 -8.727 5.733 1.00 0.68 H new ATOM 0 HG11 VAL A 22 -3.704 -9.747 5.693 1.00 1.02 H new ATOM 0 HG12 VAL A 22 -3.660 -8.072 6.293 1.00 1.02 H new ATOM 0 HG13 VAL A 22 -3.535 -9.430 7.436 1.00 1.02 H new ATOM 0 HG21 VAL A 22 -5.679 -11.153 6.070 1.00 1.41 H new ATOM 0 HG22 VAL A 22 -5.597 -10.893 7.828 1.00 1.41 H new ATOM 0 HG23 VAL A 22 -7.093 -10.515 6.942 1.00 1.41 H new ATOM 306 N LYS A 23 -4.628 -6.227 8.371 1.00 0.48 N ATOM 307 CA LYS A 23 -4.205 -4.849 8.252 1.00 0.52 C ATOM 308 C LYS A 23 -2.697 -4.717 8.069 1.00 0.40 C ATOM 309 O LYS A 23 -2.235 -4.312 7.008 1.00 0.37 O ATOM 310 CB LYS A 23 -4.677 -4.052 9.460 1.00 0.75 C ATOM 311 CG LYS A 23 -4.503 -4.779 10.771 1.00 0.85 C ATOM 312 CD LYS A 23 -5.298 -4.126 11.889 1.00 1.06 C ATOM 313 CE LYS A 23 -4.870 -2.689 12.159 1.00 1.11 C ATOM 314 NZ LYS A 23 -3.520 -2.594 12.776 1.00 2.07 N ATOM 0 H LYS A 23 -4.206 -6.735 9.148 1.00 0.48 H new ATOM 0 HA LYS A 23 -4.665 -4.441 7.352 1.00 0.52 H new ATOM 0 HB2 LYS A 23 -4.128 -3.111 9.501 1.00 0.75 H new ATOM 0 HB3 LYS A 23 -5.730 -3.802 9.330 1.00 0.75 H new ATOM 0 HG2 LYS A 23 -4.821 -5.815 10.657 1.00 0.85 H new ATOM 0 HG3 LYS A 23 -3.447 -4.797 11.039 1.00 0.85 H new ATOM 0 HD2 LYS A 23 -6.357 -4.142 11.632 1.00 1.06 H new ATOM 0 HD3 LYS A 23 -5.182 -4.712 12.801 1.00 1.06 H new ATOM 0 HE2 LYS A 23 -4.876 -2.131 11.223 1.00 1.11 H new ATOM 0 HE3 LYS A 23 -5.599 -2.216 12.817 1.00 1.11 H new ATOM 0 HZ1 LYS A 23 -3.484 -1.768 13.407 1.00 2.07 H new ATOM 0 HZ2 LYS A 23 -3.327 -3.457 13.324 1.00 2.07 H new ATOM 0 HZ3 LYS A 23 -2.804 -2.490 12.029 1.00 2.07 H new ATOM 328 N LYS A 24 -1.938 -5.054 9.099 1.00 0.38 N ATOM 329 CA LYS A 24 -0.493 -4.877 9.061 1.00 0.33 C ATOM 330 C LYS A 24 0.195 -6.035 8.365 1.00 0.34 C ATOM 331 O LYS A 24 0.088 -7.190 8.779 1.00 0.47 O ATOM 332 CB LYS A 24 0.080 -4.707 10.472 1.00 0.43 C ATOM 333 CG LYS A 24 1.576 -4.427 10.484 1.00 0.49 C ATOM 334 CD LYS A 24 2.096 -4.202 11.896 1.00 0.66 C ATOM 335 CE LYS A 24 3.587 -3.894 11.904 1.00 1.04 C ATOM 336 NZ LYS A 24 4.417 -5.077 11.545 1.00 1.59 N ATOM 0 H LYS A 24 -2.295 -5.450 9.969 1.00 0.38 H new ATOM 0 HA LYS A 24 -0.300 -3.969 8.489 1.00 0.33 H new ATOM 0 HB2 LYS A 24 -0.440 -3.890 10.972 1.00 0.43 H new ATOM 0 HB3 LYS A 24 -0.118 -5.611 11.049 1.00 0.43 H new ATOM 0 HG2 LYS A 24 2.106 -5.264 10.030 1.00 0.49 H new ATOM 0 HG3 LYS A 24 1.786 -3.548 9.875 1.00 0.49 H new ATOM 0 HD2 LYS A 24 1.552 -3.378 12.357 1.00 0.66 H new ATOM 0 HD3 LYS A 24 1.904 -5.089 12.500 1.00 0.66 H new ATOM 0 HE2 LYS A 24 3.791 -3.085 11.203 1.00 1.04 H new ATOM 0 HE3 LYS A 24 3.876 -3.539 12.893 1.00 1.04 H new ATOM 0 HZ1 LYS A 24 5.419 -4.802 11.516 1.00 1.59 H new ATOM 0 HZ2 LYS A 24 4.284 -5.823 12.257 1.00 1.59 H new ATOM 0 HZ3 LYS A 24 4.128 -5.433 10.612 1.00 1.59 H new ATOM 350 N HIS A 25 0.902 -5.700 7.305 1.00 0.29 N ATOM 351 CA HIS A 25 1.736 -6.637 6.590 1.00 0.34 C ATOM 352 C HIS A 25 3.087 -5.982 6.326 1.00 0.34 C ATOM 353 O HIS A 25 3.182 -5.000 5.593 1.00 0.43 O ATOM 354 CB HIS A 25 1.067 -7.042 5.275 1.00 0.42 C ATOM 355 CG HIS A 25 1.812 -8.099 4.513 1.00 0.69 C ATOM 356 ND1 HIS A 25 1.481 -9.437 4.558 1.00 1.46 N ATOM 357 CD2 HIS A 25 2.880 -8.008 3.687 1.00 1.39 C ATOM 358 CE1 HIS A 25 2.317 -10.120 3.799 1.00 1.58 C ATOM 359 NE2 HIS A 25 3.177 -9.278 3.259 1.00 1.44 N ATOM 0 H HIS A 25 0.912 -4.758 6.914 1.00 0.29 H new ATOM 0 HA HIS A 25 1.879 -7.539 7.185 1.00 0.34 H new ATOM 0 HB2 HIS A 25 0.060 -7.402 5.487 1.00 0.42 H new ATOM 0 HB3 HIS A 25 0.963 -6.159 4.645 1.00 0.42 H new ATOM 0 HD2 HIS A 25 3.402 -7.103 3.415 1.00 1.39 H new ATOM 0 HE1 HIS A 25 2.300 -11.189 3.646 1.00 1.58 H new ATOM 0 HE2 HIS A 25 3.937 -9.529 2.627 1.00 1.44 H new ATOM 368 N GLN A 26 4.128 -6.523 6.923 1.00 0.36 N ATOM 369 CA GLN A 26 5.448 -5.934 6.815 1.00 0.38 C ATOM 370 C GLN A 26 6.274 -6.658 5.766 1.00 0.33 C ATOM 371 O GLN A 26 6.496 -7.868 5.856 1.00 0.47 O ATOM 372 CB GLN A 26 6.156 -5.966 8.167 1.00 0.54 C ATOM 373 CG GLN A 26 7.564 -5.398 8.130 1.00 0.67 C ATOM 374 CD GLN A 26 8.187 -5.319 9.508 1.00 1.12 C ATOM 375 OE1 GLN A 26 7.491 -5.127 10.506 1.00 1.84 O ATOM 376 NE2 GLN A 26 9.498 -5.485 9.576 1.00 1.59 N ATOM 0 H GLN A 26 4.087 -7.371 7.489 1.00 0.36 H new ATOM 0 HA GLN A 26 5.337 -4.895 6.505 1.00 0.38 H new ATOM 0 HB2 GLN A 26 5.565 -5.404 8.890 1.00 0.54 H new ATOM 0 HB3 GLN A 26 6.198 -6.996 8.521 1.00 0.54 H new ATOM 0 HG2 GLN A 26 8.187 -6.019 7.487 1.00 0.67 H new ATOM 0 HG3 GLN A 26 7.541 -4.403 7.686 1.00 0.67 H new ATOM 0 HE21 GLN A 26 10.037 -5.642 8.724 1.00 1.59 H new ATOM 0 HE22 GLN A 26 9.969 -5.456 10.480 1.00 1.59 H new ATOM 385 N VAL A 27 6.730 -5.910 4.777 1.00 0.29 N ATOM 386 CA VAL A 27 7.537 -6.470 3.708 1.00 0.29 C ATOM 387 C VAL A 27 8.960 -5.926 3.795 1.00 0.28 C ATOM 388 O VAL A 27 9.173 -4.747 4.089 1.00 0.31 O ATOM 389 CB VAL A 27 6.924 -6.180 2.313 1.00 0.35 C ATOM 390 CG1 VAL A 27 6.806 -4.686 2.057 1.00 0.44 C ATOM 391 CG2 VAL A 27 7.728 -6.852 1.207 1.00 0.44 C ATOM 0 H VAL A 27 6.554 -4.909 4.692 1.00 0.29 H new ATOM 0 HA VAL A 27 7.559 -7.553 3.832 1.00 0.29 H new ATOM 0 HB VAL A 27 5.919 -6.602 2.307 1.00 0.35 H new ATOM 0 HG11 VAL A 27 6.373 -4.519 1.071 1.00 0.44 H new ATOM 0 HG12 VAL A 27 6.165 -4.236 2.816 1.00 0.44 H new ATOM 0 HG13 VAL A 27 7.795 -4.230 2.101 1.00 0.44 H new ATOM 0 HG21 VAL A 27 7.274 -6.631 0.241 1.00 0.44 H new ATOM 0 HG22 VAL A 27 8.751 -6.477 1.222 1.00 0.44 H new ATOM 0 HG23 VAL A 27 7.735 -7.930 1.366 1.00 0.44 H new ATOM 401 N ALA A 28 9.929 -6.796 3.576 1.00 0.31 N ATOM 402 CA ALA A 28 11.320 -6.416 3.687 1.00 0.33 C ATOM 403 C ALA A 28 11.968 -6.338 2.314 1.00 0.28 C ATOM 404 O ALA A 28 11.778 -7.218 1.477 1.00 0.29 O ATOM 405 CB ALA A 28 12.050 -7.394 4.586 1.00 0.41 C ATOM 0 H ALA A 28 9.775 -7.771 3.320 1.00 0.31 H new ATOM 0 HA ALA A 28 11.382 -5.424 4.135 1.00 0.33 H new ATOM 0 HB1 ALA A 28 13.097 -7.103 4.666 1.00 0.41 H new ATOM 0 HB2 ALA A 28 11.595 -7.387 5.576 1.00 0.41 H new ATOM 0 HB3 ALA A 28 11.983 -8.396 4.163 1.00 0.41 H new ATOM 411 N LEU A 29 12.729 -5.279 2.098 1.00 0.28 N ATOM 412 CA LEU A 29 13.334 -5.003 0.803 1.00 0.28 C ATOM 413 C LEU A 29 14.624 -5.808 0.623 1.00 0.32 C ATOM 414 O LEU A 29 15.374 -6.018 1.576 1.00 0.36 O ATOM 415 CB LEU A 29 13.587 -3.492 0.669 1.00 0.35 C ATOM 416 CG LEU A 29 12.374 -2.647 0.231 1.00 0.38 C ATOM 417 CD1 LEU A 29 12.175 -2.778 -1.269 1.00 1.13 C ATOM 418 CD2 LEU A 29 11.104 -3.062 0.966 1.00 1.04 C ATOM 0 H LEU A 29 12.946 -4.586 2.814 1.00 0.28 H new ATOM 0 HA LEU A 29 12.651 -5.312 0.012 1.00 0.28 H new ATOM 0 HB2 LEU A 29 13.942 -3.115 1.628 1.00 0.35 H new ATOM 0 HB3 LEU A 29 14.392 -3.339 -0.050 1.00 0.35 H new ATOM 0 HG LEU A 29 12.577 -1.607 0.485 1.00 0.38 H new ATOM 0 HD11 LEU A 29 11.317 -2.180 -1.576 1.00 1.13 H new ATOM 0 HD12 LEU A 29 13.067 -2.425 -1.787 1.00 1.13 H new ATOM 0 HD13 LEU A 29 11.998 -3.823 -1.523 1.00 1.13 H new ATOM 0 HD21 LEU A 29 10.271 -2.444 0.631 1.00 1.04 H new ATOM 0 HD22 LEU A 29 10.887 -4.109 0.755 1.00 1.04 H new ATOM 0 HD23 LEU A 29 11.245 -2.930 2.039 1.00 1.04 H new ATOM 430 N PRO A 30 14.878 -6.297 -0.600 1.00 0.38 N ATOM 431 CA PRO A 30 16.017 -7.178 -0.898 1.00 0.53 C ATOM 432 C PRO A 30 17.374 -6.496 -0.725 1.00 0.76 C ATOM 433 O PRO A 30 18.254 -7.015 -0.034 1.00 1.64 O ATOM 434 CB PRO A 30 15.803 -7.566 -2.369 1.00 0.52 C ATOM 435 CG PRO A 30 14.380 -7.230 -2.658 1.00 0.51 C ATOM 436 CD PRO A 30 14.065 -6.047 -1.797 1.00 0.41 C ATOM 0 HA PRO A 30 16.045 -8.025 -0.212 1.00 0.53 H new ATOM 0 HB2 PRO A 30 16.479 -7.016 -3.024 1.00 0.52 H new ATOM 0 HB3 PRO A 30 15.998 -8.626 -2.529 1.00 0.52 H new ATOM 0 HG2 PRO A 30 14.239 -6.996 -3.713 1.00 0.51 H new ATOM 0 HG3 PRO A 30 13.724 -8.069 -2.427 1.00 0.51 H new ATOM 0 HD2 PRO A 30 14.335 -5.109 -2.282 1.00 0.41 H new ATOM 0 HD3 PRO A 30 13.003 -5.989 -1.561 1.00 0.41 H new ATOM 483 N GLU A 34 15.182 -3.375 -5.863 1.00 0.54 N ATOM 484 CA GLU A 34 14.027 -3.158 -4.994 1.00 0.56 C ATOM 485 C GLU A 34 12.727 -3.202 -5.792 1.00 0.48 C ATOM 486 O GLU A 34 12.232 -2.179 -6.262 1.00 0.58 O ATOM 487 CB GLU A 34 14.165 -1.833 -4.233 1.00 0.72 C ATOM 488 CG GLU A 34 15.548 -1.622 -3.620 1.00 0.96 C ATOM 489 CD GLU A 34 15.936 -2.693 -2.617 1.00 1.55 C ATOM 490 OE1 GLU A 34 15.977 -3.878 -3.000 1.00 2.31 O ATOM 491 OE2 GLU A 34 16.182 -2.358 -1.434 1.00 1.97 O ATOM 0 HA GLU A 34 13.994 -3.966 -4.263 1.00 0.56 H new ATOM 0 HB2 GLU A 34 13.948 -1.009 -4.913 1.00 0.72 H new ATOM 0 HB3 GLU A 34 13.417 -1.799 -3.441 1.00 0.72 H new ATOM 0 HG2 GLU A 34 16.290 -1.597 -4.418 1.00 0.96 H new ATOM 0 HG3 GLU A 34 15.574 -0.649 -3.129 1.00 0.96 H new ATOM 498 N PRO A 35 12.156 -4.406 -5.955 1.00 0.41 N ATOM 499 CA PRO A 35 10.962 -4.621 -6.760 1.00 0.40 C ATOM 500 C PRO A 35 9.691 -4.530 -5.936 1.00 0.35 C ATOM 501 O PRO A 35 8.617 -4.940 -6.375 1.00 0.39 O ATOM 502 CB PRO A 35 11.164 -6.044 -7.257 1.00 0.48 C ATOM 503 CG PRO A 35 11.920 -6.737 -6.167 1.00 0.50 C ATOM 504 CD PRO A 35 12.624 -5.669 -5.360 1.00 0.46 C ATOM 0 HA PRO A 35 10.844 -3.876 -7.547 1.00 0.40 H new ATOM 0 HB2 PRO A 35 10.209 -6.534 -7.447 1.00 0.48 H new ATOM 0 HB3 PRO A 35 11.721 -6.059 -8.194 1.00 0.48 H new ATOM 0 HG2 PRO A 35 11.243 -7.312 -5.535 1.00 0.50 H new ATOM 0 HG3 PRO A 35 12.640 -7.440 -6.586 1.00 0.50 H new ATOM 0 HD2 PRO A 35 12.365 -5.732 -4.303 1.00 0.46 H new ATOM 0 HD3 PRO A 35 13.707 -5.766 -5.429 1.00 0.46 H new ATOM 512 N TRP A 36 9.823 -3.990 -4.740 1.00 0.30 N ATOM 513 CA TRP A 36 8.716 -3.929 -3.803 1.00 0.27 C ATOM 514 C TRP A 36 8.058 -2.554 -3.818 1.00 0.24 C ATOM 515 O TRP A 36 7.502 -2.120 -2.810 1.00 0.25 O ATOM 516 CB TRP A 36 9.200 -4.280 -2.385 1.00 0.28 C ATOM 517 CG TRP A 36 9.683 -5.695 -2.241 1.00 0.29 C ATOM 518 CD1 TRP A 36 10.644 -6.143 -1.383 1.00 0.32 C ATOM 519 CD2 TRP A 36 9.235 -6.850 -2.975 1.00 0.31 C ATOM 520 NE1 TRP A 36 10.819 -7.498 -1.534 1.00 0.34 N ATOM 521 CE2 TRP A 36 9.967 -7.953 -2.500 1.00 0.34 C ATOM 522 CE3 TRP A 36 8.284 -7.060 -3.983 1.00 0.35 C ATOM 523 CZ2 TRP A 36 9.781 -9.240 -2.993 1.00 0.38 C ATOM 524 CZ3 TRP A 36 8.103 -8.339 -4.472 1.00 0.41 C ATOM 525 CH2 TRP A 36 8.848 -9.415 -3.976 1.00 0.42 C ATOM 0 H TRP A 36 10.692 -3.584 -4.392 1.00 0.30 H new ATOM 0 HA TRP A 36 7.969 -4.660 -4.111 1.00 0.27 H new ATOM 0 HB2 TRP A 36 10.006 -3.601 -2.108 1.00 0.28 H new ATOM 0 HB3 TRP A 36 8.385 -4.111 -1.681 1.00 0.28 H new ATOM 0 HD1 TRP A 36 11.188 -5.523 -0.686 1.00 0.32 H new ATOM 0 HE1 TRP A 36 11.479 -8.072 -1.009 1.00 0.34 H new ATOM 0 HE3 TRP A 36 7.703 -6.236 -4.371 1.00 0.35 H new ATOM 0 HZ2 TRP A 36 10.354 -10.072 -2.612 1.00 0.38 H new ATOM 0 HZ3 TRP A 36 7.374 -8.512 -5.250 1.00 0.41 H new ATOM 0 HH2 TRP A 36 8.682 -10.403 -4.378 1.00 0.42 H new ATOM 536 N ASP A 37 8.121 -1.873 -4.967 1.00 0.24 N ATOM 537 CA ASP A 37 7.506 -0.551 -5.114 1.00 0.21 C ATOM 538 C ASP A 37 6.020 -0.638 -4.781 1.00 0.21 C ATOM 539 O ASP A 37 5.419 -1.714 -4.878 1.00 0.24 O ATOM 540 CB ASP A 37 7.658 0.002 -6.539 1.00 0.25 C ATOM 541 CG ASP A 37 8.949 -0.397 -7.227 1.00 0.82 C ATOM 542 OD1 ASP A 37 9.143 -1.608 -7.482 1.00 1.59 O ATOM 543 OD2 ASP A 37 9.757 0.497 -7.553 1.00 1.21 O ATOM 0 H ASP A 37 8.590 -2.215 -5.806 1.00 0.24 H new ATOM 0 HA ASP A 37 8.019 0.123 -4.428 1.00 0.21 H new ATOM 0 HB2 ASP A 37 6.817 -0.342 -7.142 1.00 0.25 H new ATOM 0 HB3 ASP A 37 7.600 1.090 -6.502 1.00 0.25 H new ATOM 548 N ILE A 38 5.420 0.495 -4.430 1.00 0.20 N ATOM 549 CA ILE A 38 4.035 0.523 -3.957 1.00 0.20 C ATOM 550 C ILE A 38 3.079 -0.096 -4.981 1.00 0.20 C ATOM 551 O ILE A 38 2.131 -0.790 -4.615 1.00 0.23 O ATOM 552 CB ILE A 38 3.579 1.968 -3.611 1.00 0.20 C ATOM 553 CG1 ILE A 38 4.624 2.652 -2.717 1.00 0.20 C ATOM 554 CG2 ILE A 38 2.222 1.948 -2.917 1.00 0.23 C ATOM 555 CD1 ILE A 38 5.054 1.829 -1.512 1.00 0.24 C ATOM 0 H ILE A 38 5.870 1.410 -4.463 1.00 0.20 H new ATOM 0 HA ILE A 38 4.001 -0.076 -3.047 1.00 0.20 H new ATOM 0 HB ILE A 38 3.484 2.534 -4.538 1.00 0.20 H new ATOM 0 HG12 ILE A 38 5.504 2.882 -3.318 1.00 0.20 H new ATOM 0 HG13 ILE A 38 4.220 3.602 -2.368 1.00 0.20 H new ATOM 0 HG21 ILE A 38 1.918 2.968 -2.682 1.00 0.23 H new ATOM 0 HG22 ILE A 38 1.483 1.492 -3.576 1.00 0.23 H new ATOM 0 HG23 ILE A 38 2.293 1.369 -1.996 1.00 0.23 H new ATOM 0 HD11 ILE A 38 5.793 2.386 -0.936 1.00 0.24 H new ATOM 0 HD12 ILE A 38 4.187 1.621 -0.885 1.00 0.24 H new ATOM 0 HD13 ILE A 38 5.491 0.889 -1.850 1.00 0.24 H new ATOM 567 N ARG A 39 3.354 0.133 -6.260 1.00 0.19 N ATOM 568 CA ARG A 39 2.534 -0.414 -7.338 1.00 0.20 C ATOM 569 C ARG A 39 2.514 -1.950 -7.315 1.00 0.19 C ATOM 570 O ARG A 39 1.480 -2.565 -7.569 1.00 0.25 O ATOM 571 CB ARG A 39 3.024 0.118 -8.694 1.00 0.31 C ATOM 572 CG ARG A 39 4.517 -0.054 -8.924 1.00 0.99 C ATOM 573 CD ARG A 39 4.825 -1.288 -9.754 1.00 1.11 C ATOM 574 NE ARG A 39 4.543 -1.079 -11.176 1.00 1.63 N ATOM 575 CZ ARG A 39 4.915 -1.917 -12.145 1.00 2.06 C ATOM 576 NH1 ARG A 39 5.576 -3.032 -11.852 1.00 2.03 N ATOM 577 NH2 ARG A 39 4.615 -1.647 -13.406 1.00 2.62 N ATOM 0 H ARG A 39 4.142 0.697 -6.578 1.00 0.19 H new ATOM 0 HA ARG A 39 1.507 -0.083 -7.185 1.00 0.20 H new ATOM 0 HB2 ARG A 39 2.483 -0.394 -9.490 1.00 0.31 H new ATOM 0 HB3 ARG A 39 2.775 1.177 -8.769 1.00 0.31 H new ATOM 0 HG2 ARG A 39 4.911 0.829 -9.427 1.00 0.99 H new ATOM 0 HG3 ARG A 39 5.026 -0.127 -7.963 1.00 0.99 H new ATOM 0 HD2 ARG A 39 5.874 -1.557 -9.628 1.00 1.11 H new ATOM 0 HD3 ARG A 39 4.235 -2.128 -9.387 1.00 1.11 H new ATOM 0 HE ARG A 39 4.029 -0.239 -11.442 1.00 1.63 H new ATOM 0 HH11 ARG A 39 5.802 -3.251 -10.882 1.00 2.03 H new ATOM 0 HH12 ARG A 39 5.858 -3.669 -12.597 1.00 2.03 H new ATOM 0 HH21 ARG A 39 4.099 -0.798 -13.637 1.00 2.62 H new ATOM 0 HH22 ARG A 39 4.900 -2.288 -14.146 1.00 2.62 H new ATOM 591 N ASN A 40 3.646 -2.568 -6.983 1.00 0.17 N ATOM 592 CA ASN A 40 3.739 -4.027 -6.937 1.00 0.18 C ATOM 593 C ASN A 40 3.049 -4.567 -5.699 1.00 0.18 C ATOM 594 O ASN A 40 2.370 -5.595 -5.747 1.00 0.22 O ATOM 595 CB ASN A 40 5.204 -4.455 -6.946 1.00 0.22 C ATOM 596 CG ASN A 40 5.866 -4.175 -8.277 1.00 0.40 C ATOM 597 OD1 ASN A 40 5.319 -4.474 -9.336 1.00 0.69 O ATOM 598 ND2 ASN A 40 7.020 -3.543 -8.230 1.00 0.59 N ATOM 0 H ASN A 40 4.510 -2.083 -6.742 1.00 0.17 H new ATOM 0 HA ASN A 40 3.241 -4.435 -7.817 1.00 0.18 H new ATOM 0 HB2 ASN A 40 5.741 -3.929 -6.156 1.00 0.22 H new ATOM 0 HB3 ASN A 40 5.272 -5.520 -6.724 1.00 0.22 H new ATOM 0 HD21 ASN A 40 7.494 -3.283 -9.095 1.00 0.59 H new ATOM 0 HD22 ASN A 40 7.440 -3.314 -7.329 1.00 0.59 H new ATOM 605 N LEU A 41 3.214 -3.859 -4.592 1.00 0.18 N ATOM 606 CA LEU A 41 2.608 -4.257 -3.330 1.00 0.19 C ATOM 607 C LEU A 41 1.101 -4.113 -3.388 1.00 0.19 C ATOM 608 O LEU A 41 0.373 -4.886 -2.769 1.00 0.21 O ATOM 609 CB LEU A 41 3.186 -3.443 -2.174 1.00 0.21 C ATOM 610 CG LEU A 41 4.407 -4.073 -1.509 1.00 0.26 C ATOM 611 CD1 LEU A 41 3.989 -5.315 -0.738 1.00 0.32 C ATOM 612 CD2 LEU A 41 5.453 -4.439 -2.548 1.00 0.29 C ATOM 0 H LEU A 41 3.765 -3.002 -4.542 1.00 0.18 H new ATOM 0 HA LEU A 41 2.841 -5.308 -3.157 1.00 0.19 H new ATOM 0 HB2 LEU A 41 3.458 -2.454 -2.542 1.00 0.21 H new ATOM 0 HB3 LEU A 41 2.410 -3.301 -1.422 1.00 0.21 H new ATOM 0 HG LEU A 41 4.841 -3.348 -0.821 1.00 0.26 H new ATOM 0 HD11 LEU A 41 4.864 -5.761 -0.265 1.00 0.32 H new ATOM 0 HD12 LEU A 41 3.263 -5.041 0.027 1.00 0.32 H new ATOM 0 HD13 LEU A 41 3.540 -6.034 -1.423 1.00 0.32 H new ATOM 0 HD21 LEU A 41 6.315 -4.887 -2.054 1.00 0.29 H new ATOM 0 HD22 LEU A 41 5.029 -5.152 -3.255 1.00 0.29 H new ATOM 0 HD23 LEU A 41 5.766 -3.541 -3.081 1.00 0.29 H new ATOM 624 N LEU A 42 0.642 -3.126 -4.139 1.00 0.19 N ATOM 625 CA LEU A 42 -0.775 -2.959 -4.402 1.00 0.23 C ATOM 626 C LEU A 42 -1.345 -4.218 -5.041 1.00 0.21 C ATOM 627 O LEU A 42 -2.406 -4.689 -4.657 1.00 0.26 O ATOM 628 CB LEU A 42 -0.996 -1.751 -5.311 1.00 0.30 C ATOM 629 CG LEU A 42 -2.357 -1.688 -5.996 1.00 0.47 C ATOM 630 CD1 LEU A 42 -2.884 -0.276 -5.961 1.00 0.91 C ATOM 631 CD2 LEU A 42 -2.254 -2.165 -7.436 1.00 0.82 C ATOM 0 H LEU A 42 1.236 -2.424 -4.580 1.00 0.19 H new ATOM 0 HA LEU A 42 -1.293 -2.788 -3.458 1.00 0.23 H new ATOM 0 HB2 LEU A 42 -0.863 -0.844 -4.721 1.00 0.30 H new ATOM 0 HB3 LEU A 42 -0.222 -1.748 -6.078 1.00 0.30 H new ATOM 0 HG LEU A 42 -3.045 -2.343 -5.461 1.00 0.47 H new ATOM 0 HD11 LEU A 42 -3.856 -0.238 -6.452 1.00 0.91 H new ATOM 0 HD12 LEU A 42 -2.988 0.048 -4.925 1.00 0.91 H new ATOM 0 HD13 LEU A 42 -2.190 0.385 -6.480 1.00 0.91 H new ATOM 0 HD21 LEU A 42 -3.235 -2.113 -7.908 1.00 0.82 H new ATOM 0 HD22 LEU A 42 -1.555 -1.530 -7.981 1.00 0.82 H new ATOM 0 HD23 LEU A 42 -1.898 -3.195 -7.454 1.00 0.82 H new ATOM 643 N VAL A 43 -0.616 -4.760 -6.001 1.00 0.20 N ATOM 644 CA VAL A 43 -1.017 -5.977 -6.696 1.00 0.22 C ATOM 645 C VAL A 43 -1.050 -7.148 -5.728 1.00 0.22 C ATOM 646 O VAL A 43 -1.986 -7.948 -5.738 1.00 0.24 O ATOM 647 CB VAL A 43 -0.034 -6.298 -7.840 1.00 0.27 C ATOM 648 CG1 VAL A 43 -0.403 -7.595 -8.536 1.00 0.31 C ATOM 649 CG2 VAL A 43 0.025 -5.148 -8.830 1.00 0.32 C ATOM 0 H VAL A 43 0.271 -4.371 -6.323 1.00 0.20 H new ATOM 0 HA VAL A 43 -2.012 -5.816 -7.111 1.00 0.22 H new ATOM 0 HB VAL A 43 0.957 -6.428 -7.406 1.00 0.27 H new ATOM 0 HG11 VAL A 43 0.309 -7.793 -9.337 1.00 0.31 H new ATOM 0 HG12 VAL A 43 -0.377 -8.414 -7.817 1.00 0.31 H new ATOM 0 HG13 VAL A 43 -1.406 -7.511 -8.954 1.00 0.31 H new ATOM 0 HG21 VAL A 43 0.724 -5.392 -9.630 1.00 0.32 H new ATOM 0 HG22 VAL A 43 -0.966 -4.980 -9.252 1.00 0.32 H new ATOM 0 HG23 VAL A 43 0.360 -4.245 -8.319 1.00 0.32 H new ATOM 659 N TRP A 44 -0.022 -7.234 -4.890 1.00 0.23 N ATOM 660 CA TRP A 44 0.035 -8.254 -3.856 1.00 0.27 C ATOM 661 C TRP A 44 -1.198 -8.143 -2.966 1.00 0.28 C ATOM 662 O TRP A 44 -1.849 -9.136 -2.649 1.00 0.33 O ATOM 663 CB TRP A 44 1.313 -8.100 -3.016 1.00 0.31 C ATOM 664 CG TRP A 44 1.476 -9.167 -1.975 1.00 0.41 C ATOM 665 CD1 TRP A 44 0.928 -9.179 -0.725 1.00 0.45 C ATOM 666 CD2 TRP A 44 2.234 -10.375 -2.093 1.00 0.54 C ATOM 667 NE1 TRP A 44 1.290 -10.326 -0.063 1.00 0.56 N ATOM 668 CE2 TRP A 44 2.098 -11.074 -0.880 1.00 0.61 C ATOM 669 CE3 TRP A 44 3.016 -10.933 -3.108 1.00 0.65 C ATOM 670 CZ2 TRP A 44 2.712 -12.305 -0.656 1.00 0.76 C ATOM 671 CZ3 TRP A 44 3.625 -12.152 -2.885 1.00 0.81 C ATOM 672 CH2 TRP A 44 3.473 -12.826 -1.667 1.00 0.85 C ATOM 0 H TRP A 44 0.783 -6.607 -4.909 1.00 0.23 H new ATOM 0 HA TRP A 44 0.053 -9.237 -4.327 1.00 0.27 H new ATOM 0 HB2 TRP A 44 2.178 -8.115 -3.679 1.00 0.31 H new ATOM 0 HB3 TRP A 44 1.302 -7.126 -2.528 1.00 0.31 H new ATOM 0 HD1 TRP A 44 0.301 -8.400 -0.316 1.00 0.45 H new ATOM 0 HE1 TRP A 44 1.004 -10.580 0.883 1.00 0.56 H new ATOM 0 HE3 TRP A 44 3.142 -10.420 -4.050 1.00 0.65 H new ATOM 0 HZ2 TRP A 44 2.592 -12.828 0.281 1.00 0.76 H new ATOM 0 HZ3 TRP A 44 4.229 -12.593 -3.664 1.00 0.81 H new ATOM 0 HH2 TRP A 44 3.966 -13.776 -1.523 1.00 0.85 H new ATOM 683 N ILE A 45 -1.523 -6.917 -2.594 1.00 0.26 N ATOM 684 CA ILE A 45 -2.683 -6.647 -1.760 1.00 0.29 C ATOM 685 C ILE A 45 -3.975 -6.982 -2.502 1.00 0.31 C ATOM 686 O ILE A 45 -4.853 -7.663 -1.980 1.00 0.37 O ATOM 687 CB ILE A 45 -2.698 -5.167 -1.316 1.00 0.31 C ATOM 688 CG1 ILE A 45 -1.575 -4.906 -0.310 1.00 0.36 C ATOM 689 CG2 ILE A 45 -4.045 -4.782 -0.730 1.00 0.36 C ATOM 690 CD1 ILE A 45 -1.437 -3.450 0.085 1.00 0.47 C ATOM 0 H ILE A 45 -0.995 -6.085 -2.859 1.00 0.26 H new ATOM 0 HA ILE A 45 -2.617 -7.280 -0.875 1.00 0.29 H new ATOM 0 HB ILE A 45 -2.531 -4.546 -2.196 1.00 0.31 H new ATOM 0 HG12 ILE A 45 -1.756 -5.501 0.585 1.00 0.36 H new ATOM 0 HG13 ILE A 45 -0.632 -5.249 -0.735 1.00 0.36 H new ATOM 0 HG21 ILE A 45 -4.024 -3.735 -0.427 1.00 0.36 H new ATOM 0 HG22 ILE A 45 -4.823 -4.927 -1.480 1.00 0.36 H new ATOM 0 HG23 ILE A 45 -4.256 -5.407 0.138 1.00 0.36 H new ATOM 0 HD11 ILE A 45 -0.621 -3.343 0.800 1.00 0.47 H new ATOM 0 HD12 ILE A 45 -1.224 -2.851 -0.801 1.00 0.47 H new ATOM 0 HD13 ILE A 45 -2.366 -3.107 0.540 1.00 0.47 H new ATOM 702 N LYS A 46 -4.064 -6.517 -3.732 1.00 0.29 N ATOM 703 CA LYS A 46 -5.249 -6.685 -4.540 1.00 0.35 C ATOM 704 C LYS A 46 -5.521 -8.153 -4.863 1.00 0.39 C ATOM 705 O LYS A 46 -6.600 -8.671 -4.576 1.00 0.44 O ATOM 706 CB LYS A 46 -5.100 -5.854 -5.816 1.00 0.39 C ATOM 707 CG LYS A 46 -5.301 -4.364 -5.576 1.00 0.91 C ATOM 708 CD LYS A 46 -5.607 -3.602 -6.855 1.00 0.91 C ATOM 709 CE LYS A 46 -6.984 -3.955 -7.395 1.00 1.26 C ATOM 710 NZ LYS A 46 -7.400 -3.040 -8.490 1.00 1.93 N ATOM 0 H LYS A 46 -3.312 -6.010 -4.199 1.00 0.29 H new ATOM 0 HA LYS A 46 -6.111 -6.334 -3.974 1.00 0.35 H new ATOM 0 HB2 LYS A 46 -4.109 -6.019 -6.238 1.00 0.39 H new ATOM 0 HB3 LYS A 46 -5.823 -6.199 -6.555 1.00 0.39 H new ATOM 0 HG2 LYS A 46 -6.117 -4.221 -4.868 1.00 0.91 H new ATOM 0 HG3 LYS A 46 -4.404 -3.950 -5.116 1.00 0.91 H new ATOM 0 HD2 LYS A 46 -5.553 -2.530 -6.664 1.00 0.91 H new ATOM 0 HD3 LYS A 46 -4.851 -3.830 -7.606 1.00 0.91 H new ATOM 0 HE2 LYS A 46 -6.978 -4.981 -7.762 1.00 1.26 H new ATOM 0 HE3 LYS A 46 -7.714 -3.910 -6.587 1.00 1.26 H new ATOM 0 HZ1 LYS A 46 -8.250 -3.419 -8.955 1.00 1.93 H new ATOM 0 HZ2 LYS A 46 -7.611 -2.101 -8.096 1.00 1.93 H new ATOM 0 HZ3 LYS A 46 -6.631 -2.959 -9.186 1.00 1.93 H new ATOM 724 N LYS A 47 -4.535 -8.828 -5.420 1.00 0.41 N ATOM 725 CA LYS A 47 -4.736 -10.180 -5.926 1.00 0.52 C ATOM 726 C LYS A 47 -4.665 -11.239 -4.831 1.00 0.57 C ATOM 727 O LYS A 47 -5.262 -12.305 -4.965 1.00 0.78 O ATOM 728 CB LYS A 47 -3.723 -10.487 -7.027 1.00 0.65 C ATOM 729 CG LYS A 47 -3.936 -9.646 -8.273 1.00 1.31 C ATOM 730 CD LYS A 47 -3.019 -10.067 -9.407 1.00 1.66 C ATOM 731 CE LYS A 47 -3.430 -9.414 -10.716 1.00 2.33 C ATOM 732 NZ LYS A 47 -4.790 -9.845 -11.148 1.00 2.96 N ATOM 0 H LYS A 47 -3.588 -8.468 -5.536 1.00 0.41 H new ATOM 0 HA LYS A 47 -5.745 -10.218 -6.336 1.00 0.52 H new ATOM 0 HB2 LYS A 47 -2.716 -10.316 -6.646 1.00 0.65 H new ATOM 0 HB3 LYS A 47 -3.789 -11.543 -7.291 1.00 0.65 H new ATOM 0 HG2 LYS A 47 -4.974 -9.732 -8.595 1.00 1.31 H new ATOM 0 HG3 LYS A 47 -3.761 -8.596 -8.036 1.00 1.31 H new ATOM 0 HD2 LYS A 47 -1.991 -9.794 -9.168 1.00 1.66 H new ATOM 0 HD3 LYS A 47 -3.044 -11.151 -9.515 1.00 1.66 H new ATOM 0 HE2 LYS A 47 -3.411 -8.330 -10.603 1.00 2.33 H new ATOM 0 HE3 LYS A 47 -2.706 -9.666 -11.491 1.00 2.33 H new ATOM 0 HZ1 LYS A 47 -4.891 -9.699 -12.173 1.00 2.96 H new ATOM 0 HZ2 LYS A 47 -4.921 -10.853 -10.927 1.00 2.96 H new ATOM 0 HZ3 LYS A 47 -5.508 -9.284 -10.646 1.00 2.96 H new ATOM 746 N ASN A 48 -3.951 -10.964 -3.751 1.00 0.50 N ATOM 747 CA ASN A 48 -3.787 -11.970 -2.707 1.00 0.58 C ATOM 748 C ASN A 48 -4.672 -11.681 -1.497 1.00 0.58 C ATOM 749 O ASN A 48 -5.249 -12.600 -0.915 1.00 0.77 O ATOM 750 CB ASN A 48 -2.320 -12.076 -2.279 1.00 0.61 C ATOM 751 CG ASN A 48 -2.079 -13.198 -1.282 1.00 1.41 C ATOM 752 OD1 ASN A 48 -1.878 -14.351 -1.667 1.00 2.21 O ATOM 753 ND2 ASN A 48 -2.079 -12.872 0.003 1.00 2.09 N ATOM 0 H ASN A 48 -3.484 -10.075 -3.573 1.00 0.50 H new ATOM 0 HA ASN A 48 -4.100 -12.925 -3.128 1.00 0.58 H new ATOM 0 HB2 ASN A 48 -1.700 -12.239 -3.160 1.00 0.61 H new ATOM 0 HB3 ASN A 48 -2.005 -11.130 -1.838 1.00 0.61 H new ATOM 0 HD21 ASN A 48 -1.909 -13.587 0.710 1.00 2.09 H new ATOM 0 HD22 ASN A 48 -2.249 -11.906 0.284 1.00 2.09 H new ATOM 760 N LEU A 49 -4.797 -10.413 -1.124 1.00 0.42 N ATOM 761 CA LEU A 49 -5.527 -10.061 0.091 1.00 0.44 C ATOM 762 C LEU A 49 -7.003 -9.758 -0.160 1.00 0.39 C ATOM 763 O LEU A 49 -7.842 -10.124 0.662 1.00 0.39 O ATOM 764 CB LEU A 49 -4.884 -8.866 0.801 1.00 0.50 C ATOM 765 CG LEU A 49 -3.713 -9.176 1.734 1.00 0.57 C ATOM 766 CD1 LEU A 49 -3.343 -7.934 2.534 1.00 1.32 C ATOM 767 CD2 LEU A 49 -4.054 -10.327 2.671 1.00 1.10 C ATOM 0 H LEU A 49 -4.409 -9.621 -1.636 1.00 0.42 H new ATOM 0 HA LEU A 49 -5.471 -10.944 0.728 1.00 0.44 H new ATOM 0 HB2 LEU A 49 -4.539 -8.164 0.042 1.00 0.50 H new ATOM 0 HB3 LEU A 49 -5.655 -8.357 1.379 1.00 0.50 H new ATOM 0 HG LEU A 49 -2.859 -9.476 1.127 1.00 0.57 H new ATOM 0 HD11 LEU A 49 -2.508 -8.163 3.196 1.00 1.32 H new ATOM 0 HD12 LEU A 49 -3.056 -7.134 1.852 1.00 1.32 H new ATOM 0 HD13 LEU A 49 -4.200 -7.615 3.127 1.00 1.32 H new ATOM 0 HD21 LEU A 49 -3.205 -10.528 3.324 1.00 1.10 H new ATOM 0 HD22 LEU A 49 -4.921 -10.060 3.275 1.00 1.10 H new ATOM 0 HD23 LEU A 49 -4.280 -11.218 2.085 1.00 1.10 H new ATOM 779 N LEU A 50 -7.330 -9.092 -1.272 1.00 0.39 N ATOM 780 CA LEU A 50 -8.708 -8.651 -1.507 1.00 0.39 C ATOM 781 C LEU A 50 -9.643 -9.858 -1.563 1.00 0.41 C ATOM 782 O LEU A 50 -9.545 -10.691 -2.464 1.00 0.50 O ATOM 783 CB LEU A 50 -8.810 -7.833 -2.803 1.00 0.47 C ATOM 784 CG LEU A 50 -9.768 -6.631 -2.762 1.00 0.44 C ATOM 785 CD1 LEU A 50 -11.172 -7.053 -2.382 1.00 0.51 C ATOM 786 CD2 LEU A 50 -9.262 -5.581 -1.791 1.00 0.62 C ATOM 0 H LEU A 50 -6.671 -8.850 -2.012 1.00 0.39 H new ATOM 0 HA LEU A 50 -9.009 -8.009 -0.679 1.00 0.39 H new ATOM 0 HB2 LEU A 50 -7.815 -7.472 -3.062 1.00 0.47 H new ATOM 0 HB3 LEU A 50 -9.126 -8.498 -3.606 1.00 0.47 H new ATOM 0 HG LEU A 50 -9.802 -6.204 -3.764 1.00 0.44 H new ATOM 0 HD11 LEU A 50 -11.822 -6.178 -2.363 1.00 0.51 H new ATOM 0 HD12 LEU A 50 -11.548 -7.768 -3.114 1.00 0.51 H new ATOM 0 HD13 LEU A 50 -11.158 -7.517 -1.396 1.00 0.51 H new ATOM 0 HD21 LEU A 50 -9.952 -4.738 -1.775 1.00 0.62 H new ATOM 0 HD22 LEU A 50 -9.193 -6.012 -0.792 1.00 0.62 H new ATOM 0 HD23 LEU A 50 -8.277 -5.238 -2.107 1.00 0.62 H new ATOM 798 N LYS A 51 -10.530 -9.956 -0.582 1.00 0.40 N ATOM 799 CA LYS A 51 -11.427 -11.095 -0.467 1.00 0.47 C ATOM 800 C LYS A 51 -12.681 -10.905 -1.313 1.00 0.52 C ATOM 801 O LYS A 51 -13.175 -11.850 -1.925 1.00 0.63 O ATOM 802 CB LYS A 51 -11.805 -11.304 1.000 1.00 0.52 C ATOM 803 CG LYS A 51 -10.602 -11.488 1.909 1.00 0.57 C ATOM 804 CD LYS A 51 -9.826 -12.747 1.557 1.00 1.08 C ATOM 805 CE LYS A 51 -8.595 -12.909 2.437 1.00 1.81 C ATOM 806 NZ LYS A 51 -8.954 -13.019 3.876 1.00 2.26 N ATOM 0 H LYS A 51 -10.647 -9.255 0.149 1.00 0.40 H new ATOM 0 HA LYS A 51 -10.908 -11.978 -0.840 1.00 0.47 H new ATOM 0 HB2 LYS A 51 -12.385 -10.447 1.344 1.00 0.52 H new ATOM 0 HB3 LYS A 51 -12.450 -12.179 1.081 1.00 0.52 H new ATOM 0 HG2 LYS A 51 -9.947 -10.621 1.827 1.00 0.57 H new ATOM 0 HG3 LYS A 51 -10.933 -11.541 2.946 1.00 0.57 H new ATOM 0 HD2 LYS A 51 -10.472 -13.617 1.670 1.00 1.08 H new ATOM 0 HD3 LYS A 51 -9.524 -12.708 0.510 1.00 1.08 H new ATOM 0 HE2 LYS A 51 -8.044 -13.798 2.131 1.00 1.81 H new ATOM 0 HE3 LYS A 51 -7.930 -12.057 2.292 1.00 1.81 H new ATOM 0 HZ1 LYS A 51 -8.399 -13.781 4.315 1.00 2.26 H new ATOM 0 HZ2 LYS A 51 -8.747 -12.120 4.355 1.00 2.26 H new ATOM 0 HZ3 LYS A 51 -9.968 -13.233 3.965 1.00 2.26 H new ATOM 820 N GLU A 52 -13.190 -9.683 -1.341 1.00 0.52 N ATOM 821 CA GLU A 52 -14.387 -9.368 -2.112 1.00 0.59 C ATOM 822 C GLU A 52 -14.023 -8.797 -3.480 1.00 0.58 C ATOM 823 O GLU A 52 -12.921 -9.025 -3.982 1.00 0.72 O ATOM 824 CB GLU A 52 -15.259 -8.383 -1.336 1.00 0.66 C ATOM 825 CG GLU A 52 -14.528 -7.124 -0.892 1.00 0.64 C ATOM 826 CD GLU A 52 -15.383 -6.268 0.009 1.00 0.90 C ATOM 827 OE1 GLU A 52 -16.187 -5.473 -0.511 1.00 1.15 O ATOM 828 OE2 GLU A 52 -15.263 -6.403 1.245 1.00 1.16 O ATOM 0 H GLU A 52 -12.793 -8.890 -0.838 1.00 0.52 H new ATOM 0 HA GLU A 52 -14.947 -10.289 -2.273 1.00 0.59 H new ATOM 0 HB2 GLU A 52 -16.108 -8.098 -1.957 1.00 0.66 H new ATOM 0 HB3 GLU A 52 -15.662 -8.885 -0.457 1.00 0.66 H new ATOM 0 HG2 GLU A 52 -13.613 -7.401 -0.369 1.00 0.64 H new ATOM 0 HG3 GLU A 52 -14.233 -6.547 -1.768 1.00 0.64 H new ATOM 835 N ARG A 53 -14.957 -8.072 -4.086 1.00 0.65 N ATOM 836 CA ARG A 53 -14.722 -7.460 -5.387 1.00 0.68 C ATOM 837 C ARG A 53 -13.817 -6.235 -5.262 1.00 0.59 C ATOM 838 O ARG A 53 -14.143 -5.274 -4.574 1.00 0.65 O ATOM 839 CB ARG A 53 -16.044 -7.086 -6.091 1.00 0.87 C ATOM 840 CG ARG A 53 -16.910 -6.026 -5.401 1.00 1.34 C ATOM 841 CD ARG A 53 -17.530 -6.527 -4.101 1.00 1.78 C ATOM 842 NE ARG A 53 -18.845 -5.934 -3.852 1.00 2.46 N ATOM 843 CZ ARG A 53 -19.379 -5.771 -2.639 1.00 3.32 C ATOM 844 NH1 ARG A 53 -18.662 -6.004 -1.548 1.00 3.80 N ATOM 845 NH2 ARG A 53 -20.620 -5.322 -2.516 1.00 4.10 N ATOM 0 H ARG A 53 -15.883 -7.894 -3.697 1.00 0.65 H new ATOM 0 HA ARG A 53 -14.216 -8.202 -6.004 1.00 0.68 H new ATOM 0 HB2 ARG A 53 -15.808 -6.733 -7.095 1.00 0.87 H new ATOM 0 HB3 ARG A 53 -16.639 -7.992 -6.203 1.00 0.87 H new ATOM 0 HG2 ARG A 53 -16.302 -5.145 -5.193 1.00 1.34 H new ATOM 0 HG3 ARG A 53 -17.703 -5.713 -6.080 1.00 1.34 H new ATOM 0 HD2 ARG A 53 -17.624 -7.612 -4.140 1.00 1.78 H new ATOM 0 HD3 ARG A 53 -16.865 -6.294 -3.270 1.00 1.78 H new ATOM 0 HE ARG A 53 -19.389 -5.625 -4.658 1.00 2.46 H new ATOM 0 HH11 ARG A 53 -17.693 -6.311 -1.631 1.00 3.80 H new ATOM 0 HH12 ARG A 53 -19.080 -5.876 -0.626 1.00 3.80 H new ATOM 0 HH21 ARG A 53 -21.167 -5.101 -3.348 1.00 4.10 H new ATOM 0 HH22 ARG A 53 -21.028 -5.198 -1.589 1.00 4.10 H new ATOM 859 N PRO A 54 -12.660 -6.262 -5.937 1.00 0.55 N ATOM 860 CA PRO A 54 -11.675 -5.169 -5.906 1.00 0.53 C ATOM 861 C PRO A 54 -12.128 -3.938 -6.684 1.00 0.57 C ATOM 862 O PRO A 54 -11.440 -2.921 -6.712 1.00 0.59 O ATOM 863 CB PRO A 54 -10.451 -5.768 -6.604 1.00 0.61 C ATOM 864 CG PRO A 54 -10.708 -7.233 -6.681 1.00 0.68 C ATOM 865 CD PRO A 54 -12.196 -7.376 -6.768 1.00 0.65 C ATOM 0 HA PRO A 54 -11.502 -4.831 -4.884 1.00 0.53 H new ATOM 0 HB2 PRO A 54 -10.319 -5.341 -7.598 1.00 0.61 H new ATOM 0 HB3 PRO A 54 -9.540 -5.559 -6.044 1.00 0.61 H new ATOM 0 HG2 PRO A 54 -10.220 -7.671 -7.552 1.00 0.68 H new ATOM 0 HG3 PRO A 54 -10.315 -7.747 -5.803 1.00 0.68 H new ATOM 0 HD2 PRO A 54 -12.554 -7.296 -7.794 1.00 0.65 H new ATOM 0 HD3 PRO A 54 -12.536 -8.339 -6.386 1.00 0.65 H new ATOM 873 N GLU A 55 -13.275 -4.043 -7.328 1.00 0.64 N ATOM 874 CA GLU A 55 -13.770 -2.977 -8.187 1.00 0.75 C ATOM 875 C GLU A 55 -14.292 -1.779 -7.394 1.00 0.69 C ATOM 876 O GLU A 55 -14.418 -0.680 -7.936 1.00 0.80 O ATOM 877 CB GLU A 55 -14.846 -3.509 -9.128 1.00 0.92 C ATOM 878 CG GLU A 55 -14.363 -4.649 -10.006 1.00 1.39 C ATOM 879 CD GLU A 55 -15.361 -5.018 -11.078 1.00 1.89 C ATOM 880 OE1 GLU A 55 -16.268 -5.827 -10.792 1.00 2.43 O ATOM 881 OE2 GLU A 55 -15.237 -4.515 -12.212 1.00 2.27 O ATOM 0 H GLU A 55 -13.886 -4.858 -7.274 1.00 0.64 H new ATOM 0 HA GLU A 55 -12.924 -2.621 -8.775 1.00 0.75 H new ATOM 0 HB2 GLU A 55 -15.698 -3.848 -8.540 1.00 0.92 H new ATOM 0 HB3 GLU A 55 -15.200 -2.696 -9.762 1.00 0.92 H new ATOM 0 HG2 GLU A 55 -13.420 -4.368 -10.474 1.00 1.39 H new ATOM 0 HG3 GLU A 55 -14.163 -5.522 -9.385 1.00 1.39 H new ATOM 888 N LEU A 56 -14.598 -1.986 -6.122 1.00 0.64 N ATOM 889 CA LEU A 56 -14.928 -0.874 -5.236 1.00 0.68 C ATOM 890 C LEU A 56 -13.679 -0.441 -4.478 1.00 0.59 C ATOM 891 O LEU A 56 -13.691 0.504 -3.690 1.00 0.69 O ATOM 892 CB LEU A 56 -16.063 -1.250 -4.270 1.00 0.81 C ATOM 893 CG LEU A 56 -15.997 -2.656 -3.648 1.00 1.09 C ATOM 894 CD1 LEU A 56 -14.733 -2.847 -2.826 1.00 1.86 C ATOM 895 CD2 LEU A 56 -17.227 -2.903 -2.791 1.00 2.05 C ATOM 0 H LEU A 56 -14.625 -2.905 -5.680 1.00 0.64 H new ATOM 0 HA LEU A 56 -15.284 -0.037 -5.837 1.00 0.68 H new ATOM 0 HB2 LEU A 56 -16.079 -0.519 -3.461 1.00 0.81 H new ATOM 0 HB3 LEU A 56 -17.009 -1.156 -4.803 1.00 0.81 H new ATOM 0 HG LEU A 56 -15.973 -3.382 -4.461 1.00 1.09 H new ATOM 0 HD11 LEU A 56 -14.722 -3.852 -2.403 1.00 1.86 H new ATOM 0 HD12 LEU A 56 -13.860 -2.713 -3.465 1.00 1.86 H new ATOM 0 HD13 LEU A 56 -14.709 -2.114 -2.020 1.00 1.86 H new ATOM 0 HD21 LEU A 56 -17.172 -3.900 -2.355 1.00 2.05 H new ATOM 0 HD22 LEU A 56 -17.271 -2.160 -1.994 1.00 2.05 H new ATOM 0 HD23 LEU A 56 -18.122 -2.826 -3.408 1.00 2.05 H new ATOM 907 N PHE A 57 -12.598 -1.151 -4.750 1.00 0.47 N ATOM 908 CA PHE A 57 -11.321 -0.911 -4.115 1.00 0.41 C ATOM 909 C PHE A 57 -10.486 0.013 -5.016 1.00 0.37 C ATOM 910 O PHE A 57 -11.008 0.588 -5.970 1.00 0.37 O ATOM 911 CB PHE A 57 -10.660 -2.279 -3.848 1.00 0.38 C ATOM 912 CG PHE A 57 -9.355 -2.266 -3.100 1.00 0.35 C ATOM 913 CD1 PHE A 57 -9.262 -1.707 -1.840 1.00 0.35 C ATOM 914 CD2 PHE A 57 -8.223 -2.839 -3.659 1.00 0.37 C ATOM 915 CE1 PHE A 57 -8.064 -1.715 -1.149 1.00 0.36 C ATOM 916 CE2 PHE A 57 -7.026 -2.853 -2.972 1.00 0.38 C ATOM 917 CZ PHE A 57 -6.946 -2.290 -1.716 1.00 0.35 C ATOM 0 H PHE A 57 -12.585 -1.916 -5.424 1.00 0.47 H new ATOM 0 HA PHE A 57 -11.421 -0.403 -3.156 1.00 0.41 H new ATOM 0 HB2 PHE A 57 -11.366 -2.894 -3.290 1.00 0.38 H new ATOM 0 HB3 PHE A 57 -10.497 -2.771 -4.807 1.00 0.38 H new ATOM 0 HD1 PHE A 57 -10.135 -1.259 -1.389 1.00 0.35 H new ATOM 0 HD2 PHE A 57 -8.278 -3.280 -4.644 1.00 0.37 H new ATOM 0 HE1 PHE A 57 -8.004 -1.271 -0.166 1.00 0.36 H new ATOM 0 HE2 PHE A 57 -6.152 -3.305 -3.418 1.00 0.38 H new ATOM 0 HZ PHE A 57 -6.010 -2.299 -1.177 1.00 0.35 H new ATOM 927 N ILE A 58 -9.213 0.152 -4.719 1.00 0.36 N ATOM 928 CA ILE A 58 -8.356 1.144 -5.359 1.00 0.36 C ATOM 929 C ILE A 58 -7.871 0.749 -6.757 1.00 0.30 C ATOM 930 O ILE A 58 -7.907 -0.421 -7.156 1.00 0.30 O ATOM 931 CB ILE A 58 -7.130 1.397 -4.475 1.00 0.45 C ATOM 932 CG1 ILE A 58 -6.288 0.126 -4.383 1.00 0.51 C ATOM 933 CG2 ILE A 58 -7.574 1.853 -3.098 1.00 0.97 C ATOM 934 CD1 ILE A 58 -5.131 0.221 -3.416 1.00 0.90 C ATOM 0 H ILE A 58 -8.734 -0.420 -4.024 1.00 0.36 H new ATOM 0 HA ILE A 58 -8.968 2.038 -5.478 1.00 0.36 H new ATOM 0 HB ILE A 58 -6.519 2.184 -4.917 1.00 0.45 H new ATOM 0 HG12 ILE A 58 -6.931 -0.702 -4.084 1.00 0.51 H new ATOM 0 HG13 ILE A 58 -5.901 -0.113 -5.374 1.00 0.51 H new ATOM 0 HG21 ILE A 58 -6.698 2.031 -2.474 1.00 0.97 H new ATOM 0 HG22 ILE A 58 -8.149 2.774 -3.188 1.00 0.97 H new ATOM 0 HG23 ILE A 58 -8.194 1.081 -2.641 1.00 0.97 H new ATOM 0 HD11 ILE A 58 -4.584 -0.722 -3.410 1.00 0.90 H new ATOM 0 HD12 ILE A 58 -4.464 1.026 -3.725 1.00 0.90 H new ATOM 0 HD13 ILE A 58 -5.510 0.428 -2.415 1.00 0.90 H new ATOM 946 N GLN A 59 -7.411 1.771 -7.478 1.00 0.31 N ATOM 947 CA GLN A 59 -6.880 1.642 -8.834 1.00 0.30 C ATOM 948 C GLN A 59 -5.635 0.766 -8.841 1.00 0.27 C ATOM 949 O GLN A 59 -4.904 0.730 -7.855 1.00 0.29 O ATOM 950 CB GLN A 59 -6.508 3.027 -9.373 1.00 0.39 C ATOM 951 CG GLN A 59 -5.337 3.665 -8.629 1.00 0.56 C ATOM 952 CD GLN A 59 -4.939 5.021 -9.177 1.00 0.60 C ATOM 953 OE1 GLN A 59 -3.661 5.374 -9.042 1.00 1.35 O flip ATOM 954 NE2 GLN A 59 -5.768 5.756 -9.709 1.00 0.58 N flip ATOM 0 H GLN A 59 -7.397 2.729 -7.129 1.00 0.31 H new ATOM 0 HA GLN A 59 -7.645 1.185 -9.461 1.00 0.30 H new ATOM 0 HB2 GLN A 59 -6.257 2.943 -10.430 1.00 0.39 H new ATOM 0 HB3 GLN A 59 -7.376 3.683 -9.303 1.00 0.39 H new ATOM 0 HG2 GLN A 59 -5.600 3.770 -7.576 1.00 0.56 H new ATOM 0 HG3 GLN A 59 -4.478 2.996 -8.678 1.00 0.56 H new ATOM 0 HE21 GLN A 59 -6.738 5.452 -9.795 1.00 0.58 H new ATOM 0 HE22 GLN A 59 -5.486 6.670 -10.064 1.00 0.58 H new ATOM 963 N GLY A 60 -5.416 0.046 -9.935 1.00 0.32 N ATOM 964 CA GLY A 60 -4.236 -0.796 -10.062 1.00 0.38 C ATOM 965 C GLY A 60 -2.948 0.000 -10.249 1.00 0.37 C ATOM 966 O GLY A 60 -2.217 -0.208 -11.217 1.00 0.55 O ATOM 0 H GLY A 60 -6.038 0.029 -10.743 1.00 0.32 H new ATOM 0 HA2 GLY A 60 -4.145 -1.419 -9.172 1.00 0.38 H new ATOM 0 HA3 GLY A 60 -4.367 -1.468 -10.910 1.00 0.38 H new ATOM 970 N ASP A 61 -2.684 0.910 -9.319 1.00 0.40 N ATOM 971 CA ASP A 61 -1.445 1.684 -9.295 1.00 0.46 C ATOM 972 C ASP A 61 -1.023 1.915 -7.853 1.00 0.44 C ATOM 973 O ASP A 61 -0.028 1.368 -7.389 1.00 0.54 O ATOM 974 CB ASP A 61 -1.592 3.052 -9.981 1.00 0.55 C ATOM 975 CG ASP A 61 -1.695 2.981 -11.490 1.00 0.81 C ATOM 976 OD1 ASP A 61 -0.650 2.844 -12.154 1.00 1.06 O ATOM 977 OD2 ASP A 61 -2.825 3.015 -12.013 1.00 0.96 O ATOM 0 H ASP A 61 -3.324 1.134 -8.557 1.00 0.40 H new ATOM 0 HA ASP A 61 -0.697 1.109 -9.841 1.00 0.46 H new ATOM 0 HB2 ASP A 61 -2.480 3.548 -9.590 1.00 0.55 H new ATOM 0 HB3 ASP A 61 -0.737 3.673 -9.715 1.00 0.55 H new ATOM 982 N SER A 62 -1.810 2.718 -7.142 1.00 0.40 N ATOM 983 CA SER A 62 -1.500 3.073 -5.763 1.00 0.46 C ATOM 984 C SER A 62 -2.765 3.041 -4.910 1.00 0.47 C ATOM 985 O SER A 62 -2.895 2.205 -4.026 1.00 0.70 O ATOM 986 CB SER A 62 -0.849 4.460 -5.705 1.00 0.53 C ATOM 987 OG SER A 62 -0.387 4.763 -4.400 1.00 0.80 O ATOM 0 H SER A 62 -2.669 3.135 -7.501 1.00 0.40 H new ATOM 0 HA SER A 62 -0.796 2.343 -5.364 1.00 0.46 H new ATOM 0 HB2 SER A 62 -0.015 4.501 -6.406 1.00 0.53 H new ATOM 0 HB3 SER A 62 -1.569 5.215 -6.021 1.00 0.53 H new ATOM 0 HG SER A 62 0.579 4.604 -4.350 1.00 0.80 H new ATOM 993 N VAL A 63 -3.681 3.969 -5.176 1.00 0.38 N ATOM 994 CA VAL A 63 -4.974 4.022 -4.490 1.00 0.37 C ATOM 995 C VAL A 63 -5.967 4.856 -5.280 1.00 0.40 C ATOM 996 O VAL A 63 -5.587 5.632 -6.153 1.00 0.52 O ATOM 997 CB VAL A 63 -4.887 4.611 -3.067 1.00 0.53 C ATOM 998 CG1 VAL A 63 -4.789 3.511 -2.026 1.00 0.83 C ATOM 999 CG2 VAL A 63 -3.722 5.575 -2.940 1.00 0.78 C ATOM 0 H VAL A 63 -3.551 4.704 -5.871 1.00 0.38 H new ATOM 0 HA VAL A 63 -5.304 2.986 -4.413 1.00 0.37 H new ATOM 0 HB VAL A 63 -5.806 5.169 -2.886 1.00 0.53 H new ATOM 0 HG11 VAL A 63 -4.729 3.955 -1.032 1.00 0.83 H new ATOM 0 HG12 VAL A 63 -5.671 2.874 -2.086 1.00 0.83 H new ATOM 0 HG13 VAL A 63 -3.896 2.913 -2.211 1.00 0.83 H new ATOM 0 HG21 VAL A 63 -3.688 5.973 -1.926 1.00 0.78 H new ATOM 0 HG22 VAL A 63 -2.791 5.051 -3.156 1.00 0.78 H new ATOM 0 HG23 VAL A 63 -3.849 6.395 -3.647 1.00 0.78 H new ATOM 1009 N ARG A 64 -7.236 4.679 -4.961 1.00 0.36 N ATOM 1010 CA ARG A 64 -8.312 5.447 -5.575 1.00 0.40 C ATOM 1011 C ARG A 64 -8.536 6.727 -4.770 1.00 0.40 C ATOM 1012 O ARG A 64 -7.940 6.892 -3.713 1.00 0.40 O ATOM 1013 CB ARG A 64 -9.597 4.603 -5.600 1.00 0.41 C ATOM 1014 CG ARG A 64 -10.056 4.149 -4.223 1.00 0.36 C ATOM 1015 CD ARG A 64 -11.286 3.260 -4.299 1.00 0.45 C ATOM 1016 NE ARG A 64 -12.462 3.974 -4.797 1.00 1.05 N ATOM 1017 CZ ARG A 64 -13.313 3.475 -5.696 1.00 1.39 C ATOM 1018 NH1 ARG A 64 -13.101 2.292 -6.248 1.00 1.63 N ATOM 1019 NH2 ARG A 64 -14.378 4.175 -6.063 1.00 2.05 N ATOM 0 H ARG A 64 -7.553 4.000 -4.269 1.00 0.36 H new ATOM 0 HA ARG A 64 -8.044 5.709 -6.599 1.00 0.40 H new ATOM 0 HB2 ARG A 64 -10.393 5.183 -6.066 1.00 0.41 H new ATOM 0 HB3 ARG A 64 -9.433 3.726 -6.226 1.00 0.41 H new ATOM 0 HG2 ARG A 64 -9.247 3.608 -3.731 1.00 0.36 H new ATOM 0 HG3 ARG A 64 -10.276 5.022 -3.608 1.00 0.36 H new ATOM 0 HD2 ARG A 64 -11.077 2.411 -4.950 1.00 0.45 H new ATOM 0 HD3 ARG A 64 -11.501 2.857 -3.309 1.00 0.45 H new ATOM 0 HE ARG A 64 -12.643 4.910 -4.435 1.00 1.05 H new ATOM 0 HH11 ARG A 64 -12.278 1.748 -5.988 1.00 1.63 H new ATOM 0 HH12 ARG A 64 -13.760 1.924 -6.934 1.00 1.63 H new ATOM 0 HH21 ARG A 64 -14.547 5.096 -5.658 1.00 2.05 H new ATOM 0 HH22 ARG A 64 -15.028 3.793 -6.750 1.00 2.05 H new ATOM 1033 N PRO A 65 -9.382 7.656 -5.246 1.00 0.49 N ATOM 1034 CA PRO A 65 -9.761 8.837 -4.461 1.00 0.53 C ATOM 1035 C PRO A 65 -10.404 8.446 -3.135 1.00 0.44 C ATOM 1036 O PRO A 65 -10.430 9.222 -2.180 1.00 0.51 O ATOM 1037 CB PRO A 65 -10.781 9.566 -5.340 1.00 0.65 C ATOM 1038 CG PRO A 65 -11.153 8.608 -6.423 1.00 0.72 C ATOM 1039 CD PRO A 65 -9.994 7.666 -6.581 1.00 0.61 C ATOM 0 HA PRO A 65 -8.894 9.448 -4.211 1.00 0.53 H new ATOM 0 HB2 PRO A 65 -11.657 9.858 -4.760 1.00 0.65 H new ATOM 0 HB3 PRO A 65 -10.355 10.479 -5.756 1.00 0.65 H new ATOM 0 HG2 PRO A 65 -12.061 8.064 -6.164 1.00 0.72 H new ATOM 0 HG3 PRO A 65 -11.353 9.136 -7.355 1.00 0.72 H new ATOM 0 HD2 PRO A 65 -10.323 6.671 -6.880 1.00 0.61 H new ATOM 0 HD3 PRO A 65 -9.295 8.013 -7.342 1.00 0.61 H new ATOM 1047 N GLY A 66 -10.934 7.234 -3.106 1.00 0.35 N ATOM 1048 CA GLY A 66 -11.554 6.707 -1.915 1.00 0.32 C ATOM 1049 C GLY A 66 -10.552 6.364 -0.830 1.00 0.25 C ATOM 1050 O GLY A 66 -10.605 6.924 0.262 1.00 0.27 O ATOM 0 H GLY A 66 -10.944 6.598 -3.903 1.00 0.35 H new ATOM 0 HA2 GLY A 66 -12.265 7.437 -1.528 1.00 0.32 H new ATOM 0 HA3 GLY A 66 -12.123 5.814 -2.173 1.00 0.32 H new ATOM 1054 N ILE A 67 -9.650 5.425 -1.101 1.00 0.28 N ATOM 1055 CA ILE A 67 -8.622 5.091 -0.130 1.00 0.23 C ATOM 1056 C ILE A 67 -7.376 5.932 -0.352 1.00 0.24 C ATOM 1057 O ILE A 67 -6.820 5.951 -1.441 1.00 0.32 O ATOM 1058 CB ILE A 67 -8.253 3.608 -0.207 1.00 0.25 C ATOM 1059 CG1 ILE A 67 -9.521 2.761 -0.131 1.00 0.32 C ATOM 1060 CG2 ILE A 67 -7.284 3.235 0.904 1.00 0.21 C ATOM 1061 CD1 ILE A 67 -9.257 1.280 -0.153 1.00 0.34 C ATOM 0 H ILE A 67 -9.612 4.892 -1.970 1.00 0.28 H new ATOM 0 HA ILE A 67 -9.027 5.304 0.860 1.00 0.23 H new ATOM 0 HB ILE A 67 -7.756 3.414 -1.158 1.00 0.25 H new ATOM 0 HG12 ILE A 67 -10.062 3.012 0.782 1.00 0.32 H new ATOM 0 HG13 ILE A 67 -10.171 3.018 -0.967 1.00 0.32 H new ATOM 0 HG21 ILE A 67 -7.035 2.176 0.830 1.00 0.21 H new ATOM 0 HG22 ILE A 67 -6.375 3.829 0.808 1.00 0.21 H new ATOM 0 HG23 ILE A 67 -7.746 3.432 1.871 1.00 0.21 H new ATOM 0 HD11 ILE A 67 -10.203 0.741 -0.096 1.00 0.34 H new ATOM 0 HD12 ILE A 67 -8.744 1.016 -1.078 1.00 0.34 H new ATOM 0 HD13 ILE A 67 -8.633 1.009 0.699 1.00 0.34 H new ATOM 1073 N LEU A 68 -6.956 6.624 0.684 1.00 0.23 N ATOM 1074 CA LEU A 68 -5.771 7.467 0.619 1.00 0.29 C ATOM 1075 C LEU A 68 -4.595 6.764 1.290 1.00 0.28 C ATOM 1076 O LEU A 68 -4.729 6.251 2.399 1.00 0.41 O ATOM 1077 CB LEU A 68 -6.041 8.803 1.320 1.00 0.37 C ATOM 1078 CG LEU A 68 -7.383 9.464 0.982 1.00 0.40 C ATOM 1079 CD1 LEU A 68 -7.553 10.750 1.774 1.00 0.50 C ATOM 1080 CD2 LEU A 68 -7.494 9.741 -0.511 1.00 0.44 C ATOM 0 H LEU A 68 -7.419 6.622 1.593 1.00 0.23 H new ATOM 0 HA LEU A 68 -5.527 7.654 -0.427 1.00 0.29 H new ATOM 0 HB2 LEU A 68 -5.995 8.644 2.397 1.00 0.37 H new ATOM 0 HB3 LEU A 68 -5.239 9.496 1.065 1.00 0.37 H new ATOM 0 HG LEU A 68 -8.180 8.774 1.258 1.00 0.40 H new ATOM 0 HD11 LEU A 68 -8.510 11.208 1.524 1.00 0.50 H new ATOM 0 HD12 LEU A 68 -7.526 10.527 2.841 1.00 0.50 H new ATOM 0 HD13 LEU A 68 -6.745 11.439 1.527 1.00 0.50 H new ATOM 0 HD21 LEU A 68 -8.455 10.210 -0.724 1.00 0.44 H new ATOM 0 HD22 LEU A 68 -6.689 10.408 -0.818 1.00 0.44 H new ATOM 0 HD23 LEU A 68 -7.418 8.803 -1.062 1.00 0.44 H new ATOM 1092 N VAL A 69 -3.452 6.729 0.620 1.00 0.25 N ATOM 1093 CA VAL A 69 -2.267 6.094 1.183 1.00 0.27 C ATOM 1094 C VAL A 69 -1.322 7.111 1.787 1.00 0.19 C ATOM 1095 O VAL A 69 -0.849 8.023 1.108 1.00 0.21 O ATOM 1096 CB VAL A 69 -1.496 5.255 0.132 1.00 0.44 C ATOM 1097 CG1 VAL A 69 -0.053 5.008 0.558 1.00 1.05 C ATOM 1098 CG2 VAL A 69 -2.185 3.931 -0.076 1.00 0.81 C ATOM 0 H VAL A 69 -3.319 7.130 -0.308 1.00 0.25 H new ATOM 0 HA VAL A 69 -2.630 5.428 1.966 1.00 0.27 H new ATOM 0 HB VAL A 69 -1.487 5.822 -0.799 1.00 0.44 H new ATOM 0 HG11 VAL A 69 0.455 4.417 -0.204 1.00 1.05 H new ATOM 0 HG12 VAL A 69 0.459 5.963 0.678 1.00 1.05 H new ATOM 0 HG13 VAL A 69 -0.040 4.468 1.505 1.00 1.05 H new ATOM 0 HG21 VAL A 69 -1.637 3.348 -0.816 1.00 0.81 H new ATOM 0 HG22 VAL A 69 -2.215 3.385 0.867 1.00 0.81 H new ATOM 0 HG23 VAL A 69 -3.202 4.102 -0.429 1.00 0.81 H new ATOM 1108 N LEU A 70 -1.088 6.979 3.076 1.00 0.18 N ATOM 1109 CA LEU A 70 -0.009 7.648 3.711 1.00 0.16 C ATOM 1110 C LEU A 70 1.305 6.989 3.376 1.00 0.15 C ATOM 1111 O LEU A 70 1.516 5.810 3.646 1.00 0.19 O ATOM 1112 CB LEU A 70 -0.216 7.629 5.208 1.00 0.22 C ATOM 1113 CG LEU A 70 -0.704 8.939 5.773 1.00 0.36 C ATOM 1114 CD1 LEU A 70 -1.867 9.478 4.969 1.00 0.95 C ATOM 1115 CD2 LEU A 70 -1.057 8.806 7.245 1.00 0.90 C ATOM 0 H LEU A 70 -1.650 6.400 3.700 1.00 0.18 H new ATOM 0 HA LEU A 70 0.020 8.677 3.352 1.00 0.16 H new ATOM 0 HB2 LEU A 70 -0.934 6.847 5.456 1.00 0.22 H new ATOM 0 HB3 LEU A 70 0.724 7.363 5.692 1.00 0.22 H new ATOM 0 HG LEU A 70 0.110 9.660 5.698 1.00 0.36 H new ATOM 0 HD11 LEU A 70 -2.199 10.423 5.398 1.00 0.95 H new ATOM 0 HD12 LEU A 70 -1.553 9.638 3.938 1.00 0.95 H new ATOM 0 HD13 LEU A 70 -2.688 8.761 4.991 1.00 0.95 H new ATOM 0 HD21 LEU A 70 -1.406 9.767 7.624 1.00 0.90 H new ATOM 0 HD22 LEU A 70 -1.844 8.062 7.365 1.00 0.90 H new ATOM 0 HD23 LEU A 70 -0.175 8.494 7.804 1.00 0.90 H new ATOM 1127 N ILE A 71 2.160 7.758 2.761 1.00 0.14 N ATOM 1128 CA ILE A 71 3.538 7.378 2.607 1.00 0.17 C ATOM 1129 C ILE A 71 4.275 7.880 3.830 1.00 0.20 C ATOM 1130 O ILE A 71 4.413 9.085 4.018 1.00 0.24 O ATOM 1131 CB ILE A 71 4.158 7.952 1.317 1.00 0.20 C ATOM 1132 CG1 ILE A 71 3.436 7.398 0.085 1.00 0.18 C ATOM 1133 CG2 ILE A 71 5.641 7.631 1.255 1.00 0.28 C ATOM 1134 CD1 ILE A 71 3.650 5.915 -0.143 1.00 0.20 C ATOM 0 H ILE A 71 1.923 8.663 2.354 1.00 0.14 H new ATOM 0 HA ILE A 71 3.616 6.294 2.519 1.00 0.17 H new ATOM 0 HB ILE A 71 4.040 9.036 1.327 1.00 0.20 H new ATOM 0 HG12 ILE A 71 2.368 7.589 0.187 1.00 0.18 H new ATOM 0 HG13 ILE A 71 3.774 7.943 -0.797 1.00 0.18 H new ATOM 0 HG21 ILE A 71 6.064 8.043 0.339 1.00 0.28 H new ATOM 0 HG22 ILE A 71 6.145 8.070 2.117 1.00 0.28 H new ATOM 0 HG23 ILE A 71 5.780 6.550 1.265 1.00 0.28 H new ATOM 0 HD11 ILE A 71 3.106 5.602 -1.034 1.00 0.20 H new ATOM 0 HD12 ILE A 71 4.713 5.717 -0.279 1.00 0.20 H new ATOM 0 HD13 ILE A 71 3.285 5.358 0.720 1.00 0.20 H new ATOM 1146 N ASN A 72 4.611 6.928 4.696 1.00 0.22 N ATOM 1147 CA ASN A 72 5.268 7.125 5.999 1.00 0.28 C ATOM 1148 C ASN A 72 4.366 7.821 6.985 1.00 0.27 C ATOM 1149 O ASN A 72 4.231 7.342 8.111 1.00 0.31 O ATOM 1150 CB ASN A 72 6.679 7.765 5.969 1.00 0.41 C ATOM 1151 CG ASN A 72 6.798 9.107 5.281 1.00 1.04 C ATOM 1152 OD1 ASN A 72 6.527 10.153 5.870 1.00 1.94 O ATOM 1153 ND2 ASN A 72 7.272 9.081 4.048 1.00 1.33 N ATOM 0 H ASN A 72 4.425 5.944 4.504 1.00 0.22 H new ATOM 0 HA ASN A 72 5.452 6.107 6.342 1.00 0.28 H new ATOM 0 HB2 ASN A 72 7.025 7.877 6.997 1.00 0.41 H new ATOM 0 HB3 ASN A 72 7.359 7.069 5.478 1.00 0.41 H new ATOM 0 HD21 ASN A 72 7.428 9.953 3.543 1.00 1.33 H new ATOM 0 HD22 ASN A 72 7.482 8.189 3.601 1.00 1.33 H new ATOM 1160 N ASP A 73 3.750 8.916 6.553 1.00 0.26 N ATOM 1161 CA ASP A 73 2.774 9.661 7.346 1.00 0.29 C ATOM 1162 C ASP A 73 2.301 10.888 6.557 1.00 0.28 C ATOM 1163 O ASP A 73 2.030 11.945 7.124 1.00 0.36 O ATOM 1164 CB ASP A 73 3.387 10.093 8.690 1.00 0.36 C ATOM 1165 CG ASP A 73 2.363 10.645 9.666 1.00 0.62 C ATOM 1166 OD1 ASP A 73 1.462 9.886 10.096 1.00 1.03 O ATOM 1167 OD2 ASP A 73 2.459 11.839 10.016 1.00 0.65 O ATOM 0 H ASP A 73 3.915 9.318 5.630 1.00 0.26 H new ATOM 0 HA ASP A 73 1.919 9.017 7.553 1.00 0.29 H new ATOM 0 HB2 ASP A 73 3.888 9.238 9.144 1.00 0.36 H new ATOM 0 HB3 ASP A 73 4.150 10.850 8.507 1.00 0.36 H new ATOM 1172 N ALA A 74 2.177 10.735 5.237 1.00 0.27 N ATOM 1173 CA ALA A 74 1.845 11.864 4.371 1.00 0.29 C ATOM 1174 C ALA A 74 1.171 11.407 3.079 1.00 0.25 C ATOM 1175 O ALA A 74 1.184 10.225 2.747 1.00 0.20 O ATOM 1176 CB ALA A 74 3.094 12.670 4.055 1.00 0.33 C ATOM 0 H ALA A 74 2.301 9.848 4.749 1.00 0.27 H new ATOM 0 HA ALA A 74 1.137 12.495 4.908 1.00 0.29 H new ATOM 0 HB1 ALA A 74 2.832 13.508 3.409 1.00 0.33 H new ATOM 0 HB2 ALA A 74 3.528 13.047 4.981 1.00 0.33 H new ATOM 0 HB3 ALA A 74 3.819 12.034 3.548 1.00 0.33 H new ATOM 1182 N ASP A 75 0.592 12.358 2.356 1.00 0.30 N ATOM 1183 CA ASP A 75 -0.145 12.068 1.123 1.00 0.29 C ATOM 1184 C ASP A 75 0.754 11.459 0.046 1.00 0.23 C ATOM 1185 O ASP A 75 1.672 12.105 -0.458 1.00 0.24 O ATOM 1186 CB ASP A 75 -0.810 13.339 0.578 1.00 0.36 C ATOM 1187 CG ASP A 75 -1.869 13.901 1.509 1.00 0.47 C ATOM 1188 OD1 ASP A 75 -2.969 13.317 1.597 1.00 0.61 O ATOM 1189 OD2 ASP A 75 -1.605 14.938 2.156 1.00 0.62 O ATOM 0 H ASP A 75 0.617 13.348 2.602 1.00 0.30 H new ATOM 0 HA ASP A 75 -0.911 11.336 1.377 1.00 0.29 H new ATOM 0 HB2 ASP A 75 -0.046 14.097 0.406 1.00 0.36 H new ATOM 0 HB3 ASP A 75 -1.264 13.119 -0.388 1.00 0.36 H new ATOM 1194 N TRP A 76 0.451 10.213 -0.304 1.00 0.21 N ATOM 1195 CA TRP A 76 1.181 9.451 -1.319 1.00 0.17 C ATOM 1196 C TRP A 76 1.434 10.237 -2.610 1.00 0.16 C ATOM 1197 O TRP A 76 2.564 10.280 -3.100 1.00 0.14 O ATOM 1198 CB TRP A 76 0.407 8.159 -1.647 1.00 0.20 C ATOM 1199 CG TRP A 76 -0.880 8.361 -2.430 1.00 0.22 C ATOM 1200 CD1 TRP A 76 -1.163 7.826 -3.654 1.00 0.28 C ATOM 1201 CD2 TRP A 76 -2.034 9.155 -2.076 1.00 0.25 C ATOM 1202 NE1 TRP A 76 -2.399 8.232 -4.084 1.00 0.33 N ATOM 1203 CE2 TRP A 76 -2.957 9.041 -3.136 1.00 0.30 C ATOM 1204 CE3 TRP A 76 -2.384 9.945 -0.977 1.00 0.27 C ATOM 1205 CZ2 TRP A 76 -4.192 9.680 -3.125 1.00 0.34 C ATOM 1206 CZ3 TRP A 76 -3.608 10.581 -0.969 1.00 0.32 C ATOM 1207 CH2 TRP A 76 -4.500 10.443 -2.037 1.00 0.34 C ATOM 0 H TRP A 76 -0.320 9.693 0.115 1.00 0.21 H new ATOM 0 HA TRP A 76 2.159 9.223 -0.895 1.00 0.17 H new ATOM 0 HB2 TRP A 76 1.060 7.497 -2.215 1.00 0.20 H new ATOM 0 HB3 TRP A 76 0.170 7.649 -0.713 1.00 0.20 H new ATOM 0 HD1 TRP A 76 -0.504 7.173 -4.207 1.00 0.28 H new ATOM 0 HE1 TRP A 76 -2.833 7.972 -4.970 1.00 0.33 H new ATOM 0 HE3 TRP A 76 -1.705 10.056 -0.145 1.00 0.27 H new ATOM 0 HZ2 TRP A 76 -4.883 9.576 -3.949 1.00 0.34 H new ATOM 0 HZ3 TRP A 76 -3.882 11.196 -0.124 1.00 0.32 H new ATOM 0 HH2 TRP A 76 -5.452 10.951 -2.000 1.00 0.34 H new ATOM 1218 N GLU A 77 0.392 10.865 -3.143 1.00 0.19 N ATOM 1219 CA GLU A 77 0.453 11.472 -4.468 1.00 0.21 C ATOM 1220 C GLU A 77 1.459 12.616 -4.521 1.00 0.21 C ATOM 1221 O GLU A 77 2.004 12.929 -5.578 1.00 0.27 O ATOM 1222 CB GLU A 77 -0.931 11.968 -4.895 1.00 0.28 C ATOM 1223 CG GLU A 77 -1.580 12.929 -3.911 1.00 0.49 C ATOM 1224 CD GLU A 77 -2.826 13.577 -4.485 1.00 0.52 C ATOM 1225 OE1 GLU A 77 -2.700 14.612 -5.176 1.00 0.82 O ATOM 1226 OE2 GLU A 77 -3.934 13.054 -4.259 1.00 0.74 O ATOM 0 H GLU A 77 -0.509 10.967 -2.676 1.00 0.19 H new ATOM 0 HA GLU A 77 0.787 10.702 -5.163 1.00 0.21 H new ATOM 0 HB2 GLU A 77 -0.845 12.461 -5.864 1.00 0.28 H new ATOM 0 HB3 GLU A 77 -1.587 11.108 -5.032 1.00 0.28 H new ATOM 0 HG2 GLU A 77 -1.838 12.393 -2.998 1.00 0.49 H new ATOM 0 HG3 GLU A 77 -0.864 13.703 -3.634 1.00 0.49 H new ATOM 1233 N LEU A 78 1.716 13.228 -3.375 1.00 0.24 N ATOM 1234 CA LEU A 78 2.637 14.355 -3.302 1.00 0.29 C ATOM 1235 C LEU A 78 4.055 13.870 -3.035 1.00 0.25 C ATOM 1236 O LEU A 78 5.010 14.647 -3.072 1.00 0.35 O ATOM 1237 CB LEU A 78 2.199 15.317 -2.193 1.00 0.47 C ATOM 1238 CG LEU A 78 0.765 15.843 -2.316 1.00 0.55 C ATOM 1239 CD1 LEU A 78 0.427 16.754 -1.145 1.00 1.12 C ATOM 1240 CD2 LEU A 78 0.578 16.581 -3.632 1.00 1.00 C ATOM 0 H LEU A 78 1.300 12.964 -2.482 1.00 0.24 H new ATOM 0 HA LEU A 78 2.622 14.878 -4.258 1.00 0.29 H new ATOM 0 HB2 LEU A 78 2.303 14.811 -1.233 1.00 0.47 H new ATOM 0 HB3 LEU A 78 2.881 16.167 -2.181 1.00 0.47 H new ATOM 0 HG LEU A 78 0.086 14.991 -2.298 1.00 0.55 H new ATOM 0 HD11 LEU A 78 -0.595 17.118 -1.250 1.00 1.12 H new ATOM 0 HD12 LEU A 78 0.520 16.198 -0.212 1.00 1.12 H new ATOM 0 HD13 LEU A 78 1.114 17.600 -1.133 1.00 1.12 H new ATOM 0 HD21 LEU A 78 -0.446 16.947 -3.701 1.00 1.00 H new ATOM 0 HD22 LEU A 78 1.268 17.423 -3.678 1.00 1.00 H new ATOM 0 HD23 LEU A 78 0.778 15.902 -4.461 1.00 1.00 H new ATOM 1252 N LEU A 79 4.189 12.577 -2.773 1.00 0.20 N ATOM 1253 CA LEU A 79 5.466 12.010 -2.364 1.00 0.20 C ATOM 1254 C LEU A 79 6.053 11.065 -3.419 1.00 0.20 C ATOM 1255 O LEU A 79 7.272 10.949 -3.538 1.00 0.22 O ATOM 1256 CB LEU A 79 5.298 11.275 -1.028 1.00 0.22 C ATOM 1257 CG LEU A 79 5.510 12.126 0.231 1.00 0.38 C ATOM 1258 CD1 LEU A 79 4.483 13.241 0.334 1.00 0.79 C ATOM 1259 CD2 LEU A 79 5.456 11.250 1.469 1.00 0.75 C ATOM 0 H LEU A 79 3.428 11.901 -2.837 1.00 0.20 H new ATOM 0 HA LEU A 79 6.171 12.834 -2.249 1.00 0.20 H new ATOM 0 HB2 LEU A 79 4.295 10.850 -0.992 1.00 0.22 H new ATOM 0 HB3 LEU A 79 5.999 10.441 -1.003 1.00 0.22 H new ATOM 0 HG LEU A 79 6.495 12.587 0.158 1.00 0.38 H new ATOM 0 HD11 LEU A 79 4.666 13.822 1.238 1.00 0.79 H new ATOM 0 HD12 LEU A 79 4.563 13.891 -0.537 1.00 0.79 H new ATOM 0 HD13 LEU A 79 3.482 12.811 0.375 1.00 0.79 H new ATOM 0 HD21 LEU A 79 5.608 11.864 2.356 1.00 0.75 H new ATOM 0 HD22 LEU A 79 4.483 10.762 1.527 1.00 0.75 H new ATOM 0 HD23 LEU A 79 6.239 10.493 1.414 1.00 0.75 H new ATOM 1271 N GLY A 80 5.199 10.408 -4.193 1.00 0.20 N ATOM 1272 CA GLY A 80 5.689 9.487 -5.208 1.00 0.22 C ATOM 1273 C GLY A 80 4.762 8.305 -5.408 1.00 0.19 C ATOM 1274 O GLY A 80 4.762 7.683 -6.473 1.00 0.22 O ATOM 0 H GLY A 80 4.184 10.493 -4.140 1.00 0.20 H new ATOM 0 HA2 GLY A 80 5.805 10.019 -6.152 1.00 0.22 H new ATOM 0 HA3 GLY A 80 6.677 9.127 -4.922 1.00 0.22 H new ATOM 1278 N GLU A 81 3.967 8.019 -4.373 1.00 0.17 N ATOM 1279 CA GLU A 81 2.934 6.974 -4.385 1.00 0.20 C ATOM 1280 C GLU A 81 3.363 5.671 -5.081 1.00 0.16 C ATOM 1281 O GLU A 81 4.399 5.097 -4.745 1.00 0.17 O ATOM 1282 CB GLU A 81 1.630 7.524 -4.981 1.00 0.33 C ATOM 1283 CG GLU A 81 1.784 8.294 -6.278 1.00 0.48 C ATOM 1284 CD GLU A 81 0.454 8.552 -6.952 1.00 0.38 C ATOM 1285 OE1 GLU A 81 -0.152 7.598 -7.464 1.00 0.58 O ATOM 1286 OE2 GLU A 81 0.005 9.718 -6.966 1.00 0.41 O ATOM 0 H GLU A 81 4.023 8.516 -3.484 1.00 0.17 H new ATOM 0 HA GLU A 81 2.768 6.696 -3.344 1.00 0.20 H new ATOM 0 HB2 GLU A 81 0.948 6.691 -5.151 1.00 0.33 H new ATOM 0 HB3 GLU A 81 1.160 8.176 -4.245 1.00 0.33 H new ATOM 0 HG2 GLU A 81 2.278 9.245 -6.077 1.00 0.48 H new ATOM 0 HG3 GLU A 81 2.430 7.736 -6.955 1.00 0.48 H new ATOM 1293 N LEU A 82 2.534 5.214 -6.025 1.00 0.16 N ATOM 1294 CA LEU A 82 2.695 3.927 -6.708 1.00 0.18 C ATOM 1295 C LEU A 82 4.146 3.630 -7.108 1.00 0.16 C ATOM 1296 O LEU A 82 4.627 2.510 -6.925 1.00 0.20 O ATOM 1297 CB LEU A 82 1.733 3.818 -7.923 1.00 0.24 C ATOM 1298 CG LEU A 82 1.961 4.710 -9.166 1.00 0.28 C ATOM 1299 CD1 LEU A 82 2.364 6.127 -8.796 1.00 1.06 C ATOM 1300 CD2 LEU A 82 2.965 4.081 -10.121 1.00 1.19 C ATOM 0 H LEU A 82 1.718 5.738 -6.341 1.00 0.16 H new ATOM 0 HA LEU A 82 2.423 3.158 -5.985 1.00 0.18 H new ATOM 0 HB2 LEU A 82 1.750 2.781 -8.259 1.00 0.24 H new ATOM 0 HB3 LEU A 82 0.725 4.019 -7.559 1.00 0.24 H new ATOM 0 HG LEU A 82 1.004 4.780 -9.682 1.00 0.28 H new ATOM 0 HD11 LEU A 82 2.512 6.712 -9.704 1.00 1.06 H new ATOM 0 HD12 LEU A 82 1.578 6.583 -8.194 1.00 1.06 H new ATOM 0 HD13 LEU A 82 3.292 6.104 -8.224 1.00 1.06 H new ATOM 0 HD21 LEU A 82 3.103 4.732 -10.984 1.00 1.19 H new ATOM 0 HD22 LEU A 82 3.919 3.948 -9.610 1.00 1.19 H new ATOM 0 HD23 LEU A 82 2.593 3.112 -10.453 1.00 1.19 H new ATOM 1312 N ASP A 83 4.852 4.626 -7.619 1.00 0.20 N ATOM 1313 CA ASP A 83 6.226 4.424 -8.055 1.00 0.24 C ATOM 1314 C ASP A 83 7.192 4.942 -7.002 1.00 0.26 C ATOM 1315 O ASP A 83 7.784 6.012 -7.135 1.00 0.56 O ATOM 1316 CB ASP A 83 6.479 5.097 -9.406 1.00 0.34 C ATOM 1317 CG ASP A 83 7.906 4.915 -9.886 1.00 1.21 C ATOM 1318 OD1 ASP A 83 8.363 3.755 -9.980 1.00 1.72 O ATOM 1319 OD2 ASP A 83 8.568 5.932 -10.193 1.00 2.00 O ATOM 0 H ASP A 83 4.501 5.576 -7.742 1.00 0.20 H new ATOM 0 HA ASP A 83 6.392 3.354 -8.182 1.00 0.24 H new ATOM 0 HB2 ASP A 83 5.794 4.685 -10.147 1.00 0.34 H new ATOM 0 HB3 ASP A 83 6.259 6.162 -9.325 1.00 0.34 H new ATOM 1324 N TYR A 84 7.284 4.200 -5.919 1.00 0.21 N ATOM 1325 CA TYR A 84 8.215 4.495 -4.864 1.00 0.19 C ATOM 1326 C TYR A 84 9.320 3.462 -4.853 1.00 0.21 C ATOM 1327 O TYR A 84 9.073 2.274 -5.033 1.00 0.33 O ATOM 1328 CB TYR A 84 7.507 4.508 -3.514 1.00 0.19 C ATOM 1329 CG TYR A 84 7.558 5.846 -2.833 1.00 0.19 C ATOM 1330 CD1 TYR A 84 8.748 6.338 -2.324 1.00 0.24 C ATOM 1331 CD2 TYR A 84 6.415 6.616 -2.703 1.00 0.19 C ATOM 1332 CE1 TYR A 84 8.803 7.566 -1.700 1.00 0.28 C ATOM 1333 CE2 TYR A 84 6.456 7.848 -2.082 1.00 0.21 C ATOM 1334 CZ TYR A 84 7.651 8.313 -1.569 1.00 0.25 C ATOM 1335 OH TYR A 84 7.686 9.549 -0.974 1.00 0.30 O ATOM 0 H TYR A 84 6.711 3.373 -5.750 1.00 0.21 H new ATOM 0 HA TYR A 84 8.643 5.481 -5.042 1.00 0.19 H new ATOM 0 HB2 TYR A 84 6.466 4.218 -3.654 1.00 0.19 H new ATOM 0 HB3 TYR A 84 7.962 3.759 -2.865 1.00 0.19 H new ATOM 0 HD1 TYR A 84 9.649 5.749 -2.417 1.00 0.24 H new ATOM 0 HD2 TYR A 84 5.478 6.247 -3.093 1.00 0.19 H new ATOM 0 HE1 TYR A 84 9.741 7.940 -1.317 1.00 0.28 H new ATOM 0 HE2 TYR A 84 5.560 8.444 -1.998 1.00 0.21 H new ATOM 0 HH TYR A 84 8.562 9.960 -1.126 1.00 0.30 H new ATOM 1345 N GLN A 85 10.527 3.918 -4.596 1.00 0.27 N ATOM 1346 CA GLN A 85 11.699 3.053 -4.584 1.00 0.28 C ATOM 1347 C GLN A 85 11.873 2.499 -3.182 1.00 0.24 C ATOM 1348 O GLN A 85 12.935 1.992 -2.821 1.00 0.28 O ATOM 1349 CB GLN A 85 12.973 3.821 -4.981 1.00 0.40 C ATOM 1350 CG GLN A 85 12.794 4.875 -6.072 1.00 0.70 C ATOM 1351 CD GLN A 85 11.949 6.058 -5.625 1.00 0.77 C ATOM 1352 OE1 GLN A 85 11.963 6.345 -4.326 1.00 1.74 O flip ATOM 1353 NE2 GLN A 85 11.281 6.700 -6.437 1.00 0.74 N flip ATOM 0 H GLN A 85 10.729 4.896 -4.389 1.00 0.27 H new ATOM 0 HA GLN A 85 11.548 2.252 -5.308 1.00 0.28 H new ATOM 0 HB2 GLN A 85 13.374 4.308 -4.092 1.00 0.40 H new ATOM 0 HB3 GLN A 85 13.721 3.101 -5.315 1.00 0.40 H new ATOM 0 HG2 GLN A 85 13.774 5.234 -6.386 1.00 0.70 H new ATOM 0 HG3 GLN A 85 12.330 4.413 -6.943 1.00 0.70 H new ATOM 0 HE21 GLN A 85 11.298 6.447 -7.425 1.00 0.74 H new ATOM 0 HE22 GLN A 85 10.711 7.485 -6.121 1.00 0.74 H new ATOM 1362 N LEU A 86 10.786 2.593 -2.424 1.00 0.22 N ATOM 1363 CA LEU A 86 10.741 2.232 -1.009 1.00 0.24 C ATOM 1364 C LEU A 86 11.614 3.124 -0.138 1.00 0.30 C ATOM 1365 O LEU A 86 12.615 3.691 -0.575 1.00 0.34 O ATOM 1366 CB LEU A 86 11.077 0.756 -0.786 1.00 0.25 C ATOM 1367 CG LEU A 86 10.011 -0.216 -1.275 1.00 0.29 C ATOM 1368 CD1 LEU A 86 8.645 0.188 -0.741 1.00 0.75 C ATOM 1369 CD2 LEU A 86 10.023 -0.289 -2.791 1.00 0.86 C ATOM 0 H LEU A 86 9.892 2.929 -2.782 1.00 0.22 H new ATOM 0 HA LEU A 86 9.710 2.396 -0.696 1.00 0.24 H new ATOM 0 HB2 LEU A 86 12.016 0.530 -1.291 1.00 0.25 H new ATOM 0 HB3 LEU A 86 11.240 0.591 0.279 1.00 0.25 H new ATOM 0 HG LEU A 86 10.233 -1.213 -0.894 1.00 0.29 H new ATOM 0 HD11 LEU A 86 7.892 -0.515 -1.098 1.00 0.75 H new ATOM 0 HD12 LEU A 86 8.663 0.178 0.349 1.00 0.75 H new ATOM 0 HD13 LEU A 86 8.400 1.191 -1.091 1.00 0.75 H new ATOM 0 HD21 LEU A 86 9.257 -0.987 -3.128 1.00 0.86 H new ATOM 0 HD22 LEU A 86 9.821 0.699 -3.204 1.00 0.86 H new ATOM 0 HD23 LEU A 86 11.000 -0.632 -3.131 1.00 0.86 H new ATOM 1381 N GLN A 87 11.190 3.249 1.105 1.00 0.39 N ATOM 1382 CA GLN A 87 11.774 4.178 2.046 1.00 0.51 C ATOM 1383 C GLN A 87 11.843 3.523 3.426 1.00 0.76 C ATOM 1384 O GLN A 87 10.893 2.886 3.871 1.00 1.74 O ATOM 1385 CB GLN A 87 10.942 5.472 2.102 1.00 0.46 C ATOM 1386 CG GLN A 87 9.996 5.688 0.916 1.00 0.86 C ATOM 1387 CD GLN A 87 8.730 4.831 0.937 1.00 0.65 C ATOM 1388 OE1 GLN A 87 8.702 3.712 1.447 1.00 1.18 O ATOM 1389 NE2 GLN A 87 7.669 5.361 0.362 1.00 0.48 N ATOM 0 H GLN A 87 10.422 2.701 1.492 1.00 0.39 H new ATOM 0 HA GLN A 87 12.783 4.436 1.723 1.00 0.51 H new ATOM 0 HB2 GLN A 87 10.354 5.468 3.020 1.00 0.46 H new ATOM 0 HB3 GLN A 87 11.623 6.321 2.163 1.00 0.46 H new ATOM 0 HG2 GLN A 87 9.706 6.738 0.888 1.00 0.86 H new ATOM 0 HG3 GLN A 87 10.540 5.483 -0.006 1.00 0.86 H new ATOM 0 HE21 GLN A 87 7.725 6.292 -0.052 1.00 0.48 H new ATOM 0 HE22 GLN A 87 6.792 4.841 0.331 1.00 0.48 H new ATOM 1398 N ASP A 88 12.972 3.676 4.091 1.00 0.43 N ATOM 1399 CA ASP A 88 13.245 2.963 5.338 1.00 0.40 C ATOM 1400 C ASP A 88 12.339 3.424 6.484 1.00 0.32 C ATOM 1401 O ASP A 88 12.264 4.617 6.788 1.00 0.36 O ATOM 1402 CB ASP A 88 14.722 3.148 5.706 1.00 0.56 C ATOM 1403 CG ASP A 88 15.112 2.478 7.007 1.00 1.40 C ATOM 1404 OD1 ASP A 88 15.199 1.231 7.039 1.00 2.44 O ATOM 1405 OD2 ASP A 88 15.357 3.197 7.997 1.00 1.53 O ATOM 0 H ASP A 88 13.726 4.293 3.790 1.00 0.43 H new ATOM 0 HA ASP A 88 13.030 1.906 5.181 1.00 0.40 H new ATOM 0 HB2 ASP A 88 15.341 2.749 4.902 1.00 0.56 H new ATOM 0 HB3 ASP A 88 14.939 4.214 5.777 1.00 0.56 H new ATOM 1410 N GLN A 89 11.666 2.449 7.113 1.00 0.31 N ATOM 1411 CA GLN A 89 10.722 2.688 8.201 1.00 0.34 C ATOM 1412 C GLN A 89 9.594 3.614 7.782 1.00 0.34 C ATOM 1413 O GLN A 89 9.108 4.430 8.567 1.00 0.42 O ATOM 1414 CB GLN A 89 11.426 3.204 9.452 1.00 0.40 C ATOM 1415 CG GLN A 89 11.900 2.076 10.349 1.00 0.62 C ATOM 1416 CD GLN A 89 13.192 1.442 9.887 1.00 0.77 C ATOM 1417 OE1 GLN A 89 14.281 1.876 10.265 1.00 1.56 O ATOM 1418 NE2 GLN A 89 13.079 0.383 9.099 1.00 0.71 N ATOM 0 H GLN A 89 11.767 1.463 6.873 1.00 0.31 H new ATOM 0 HA GLN A 89 10.274 1.725 8.448 1.00 0.34 H new ATOM 0 HB2 GLN A 89 12.279 3.817 9.160 1.00 0.40 H new ATOM 0 HB3 GLN A 89 10.746 3.848 10.010 1.00 0.40 H new ATOM 0 HG2 GLN A 89 12.034 2.458 11.361 1.00 0.62 H new ATOM 0 HG3 GLN A 89 11.126 1.311 10.397 1.00 0.62 H new ATOM 0 HE21 GLN A 89 12.156 0.058 8.810 1.00 0.71 H new ATOM 0 HE22 GLN A 89 13.915 -0.108 8.781 1.00 0.71 H new ATOM 1427 N ASP A 90 9.165 3.452 6.549 1.00 0.30 N ATOM 1428 CA ASP A 90 8.038 4.197 6.020 1.00 0.34 C ATOM 1429 C ASP A 90 6.737 3.512 6.432 1.00 0.32 C ATOM 1430 O ASP A 90 6.618 2.289 6.304 1.00 0.45 O ATOM 1431 CB ASP A 90 8.136 4.239 4.501 1.00 0.45 C ATOM 1432 CG ASP A 90 7.816 5.602 3.931 1.00 0.75 C ATOM 1433 OD1 ASP A 90 8.679 6.505 4.013 1.00 1.17 O ATOM 1434 OD2 ASP A 90 6.705 5.783 3.414 1.00 1.06 O ATOM 0 H ASP A 90 9.585 2.802 5.884 1.00 0.30 H new ATOM 0 HA ASP A 90 8.050 5.213 6.415 1.00 0.34 H new ATOM 0 HB2 ASP A 90 9.143 3.951 4.198 1.00 0.45 H new ATOM 0 HB3 ASP A 90 7.453 3.503 4.077 1.00 0.45 H new ATOM 1439 N SER A 91 5.770 4.267 6.949 1.00 0.23 N ATOM 1440 CA SER A 91 4.502 3.675 7.313 1.00 0.21 C ATOM 1441 C SER A 91 3.504 3.882 6.185 1.00 0.17 C ATOM 1442 O SER A 91 2.890 4.943 6.068 1.00 0.17 O ATOM 1443 CB SER A 91 3.978 4.290 8.604 1.00 0.25 C ATOM 1444 OG SER A 91 2.887 3.552 9.129 1.00 1.14 O ATOM 0 H SER A 91 5.845 5.270 7.120 1.00 0.23 H new ATOM 0 HA SER A 91 4.641 2.606 7.477 1.00 0.21 H new ATOM 0 HB2 SER A 91 4.780 4.328 9.341 1.00 0.25 H new ATOM 0 HB3 SER A 91 3.667 5.318 8.418 1.00 0.25 H new ATOM 0 HG SER A 91 2.140 3.576 8.495 1.00 1.14 H new ATOM 1450 N ILE A 92 3.365 2.872 5.352 1.00 0.17 N ATOM 1451 CA ILE A 92 2.461 2.932 4.220 1.00 0.15 C ATOM 1452 C ILE A 92 1.086 2.479 4.674 1.00 0.14 C ATOM 1453 O ILE A 92 0.862 1.291 4.917 1.00 0.17 O ATOM 1454 CB ILE A 92 2.936 2.016 3.064 1.00 0.17 C ATOM 1455 CG1 ILE A 92 4.470 2.013 2.946 1.00 0.19 C ATOM 1456 CG2 ILE A 92 2.303 2.446 1.750 1.00 0.19 C ATOM 1457 CD1 ILE A 92 5.088 3.380 2.735 1.00 0.21 C ATOM 0 H ILE A 92 3.872 1.991 5.438 1.00 0.17 H new ATOM 0 HA ILE A 92 2.435 3.958 3.852 1.00 0.15 H new ATOM 0 HB ILE A 92 2.616 0.999 3.291 1.00 0.17 H new ATOM 0 HG12 ILE A 92 4.890 1.574 3.851 1.00 0.19 H new ATOM 0 HG13 ILE A 92 4.756 1.367 2.116 1.00 0.19 H new ATOM 0 HG21 ILE A 92 2.648 1.792 0.949 1.00 0.19 H new ATOM 0 HG22 ILE A 92 1.218 2.381 1.830 1.00 0.19 H new ATOM 0 HG23 ILE A 92 2.589 3.474 1.527 1.00 0.19 H new ATOM 0 HD11 ILE A 92 6.171 3.282 2.663 1.00 0.21 H new ATOM 0 HD12 ILE A 92 4.701 3.816 1.814 1.00 0.21 H new ATOM 0 HD13 ILE A 92 4.837 4.027 3.576 1.00 0.21 H new ATOM 1469 N LEU A 93 0.167 3.416 4.802 1.00 0.13 N ATOM 1470 CA LEU A 93 -1.131 3.101 5.360 1.00 0.14 C ATOM 1471 C LEU A 93 -2.242 3.437 4.379 1.00 0.14 C ATOM 1472 O LEU A 93 -2.326 4.558 3.878 1.00 0.19 O ATOM 1473 CB LEU A 93 -1.340 3.863 6.670 1.00 0.18 C ATOM 1474 CG LEU A 93 -2.098 3.098 7.760 1.00 0.32 C ATOM 1475 CD1 LEU A 93 -2.454 4.018 8.910 1.00 0.63 C ATOM 1476 CD2 LEU A 93 -3.347 2.444 7.203 1.00 0.56 C ATOM 0 H LEU A 93 0.293 4.391 4.530 1.00 0.13 H new ATOM 0 HA LEU A 93 -1.164 2.030 5.560 1.00 0.14 H new ATOM 0 HB2 LEU A 93 -0.365 4.151 7.063 1.00 0.18 H new ATOM 0 HB3 LEU A 93 -1.881 4.784 6.453 1.00 0.18 H new ATOM 0 HG LEU A 93 -1.441 2.312 8.132 1.00 0.32 H new ATOM 0 HD11 LEU A 93 -2.992 3.455 9.673 1.00 0.63 H new ATOM 0 HD12 LEU A 93 -1.542 4.433 9.340 1.00 0.63 H new ATOM 0 HD13 LEU A 93 -3.085 4.829 8.545 1.00 0.63 H new ATOM 0 HD21 LEU A 93 -3.864 1.909 8.000 1.00 0.56 H new ATOM 0 HD22 LEU A 93 -4.006 3.209 6.793 1.00 0.56 H new ATOM 0 HD23 LEU A 93 -3.070 1.743 6.415 1.00 0.56 H new ATOM 1488 N PHE A 94 -3.091 2.456 4.109 1.00 0.13 N ATOM 1489 CA PHE A 94 -4.255 2.664 3.269 1.00 0.14 C ATOM 1490 C PHE A 94 -5.432 3.121 4.126 1.00 0.13 C ATOM 1491 O PHE A 94 -5.933 2.370 4.974 1.00 0.15 O ATOM 1492 CB PHE A 94 -4.616 1.371 2.531 1.00 0.18 C ATOM 1493 CG PHE A 94 -3.569 0.908 1.552 1.00 0.21 C ATOM 1494 CD1 PHE A 94 -2.325 0.495 1.999 1.00 0.27 C ATOM 1495 CD2 PHE A 94 -3.825 0.887 0.188 1.00 0.26 C ATOM 1496 CE1 PHE A 94 -1.359 0.067 1.108 1.00 0.32 C ATOM 1497 CE2 PHE A 94 -2.863 0.460 -0.707 1.00 0.31 C ATOM 1498 CZ PHE A 94 -1.643 0.056 -0.265 1.00 0.33 C ATOM 0 H PHE A 94 -2.992 1.504 4.463 1.00 0.13 H new ATOM 0 HA PHE A 94 -4.026 3.434 2.532 1.00 0.14 H new ATOM 0 HB2 PHE A 94 -4.786 0.583 3.264 1.00 0.18 H new ATOM 0 HB3 PHE A 94 -5.555 1.520 1.998 1.00 0.18 H new ATOM 0 HD1 PHE A 94 -2.107 0.508 3.057 1.00 0.27 H new ATOM 0 HD2 PHE A 94 -4.789 1.209 -0.178 1.00 0.26 H new ATOM 0 HE1 PHE A 94 -0.393 -0.256 1.467 1.00 0.32 H new ATOM 0 HE2 PHE A 94 -3.082 0.447 -1.765 1.00 0.31 H new ATOM 0 HZ PHE A 94 -0.894 -0.273 -0.970 1.00 0.33 H new ATOM 1508 N ILE A 95 -5.878 4.344 3.899 1.00 0.13 N ATOM 1509 CA ILE A 95 -6.976 4.917 4.659 1.00 0.17 C ATOM 1510 C ILE A 95 -8.157 5.210 3.752 1.00 0.18 C ATOM 1511 O ILE A 95 -8.143 6.171 2.988 1.00 0.20 O ATOM 1512 CB ILE A 95 -6.540 6.216 5.375 1.00 0.26 C ATOM 1513 CG1 ILE A 95 -5.459 5.909 6.410 1.00 0.27 C ATOM 1514 CG2 ILE A 95 -7.729 6.906 6.036 1.00 0.35 C ATOM 1515 CD1 ILE A 95 -5.907 4.924 7.467 1.00 1.16 C ATOM 0 H ILE A 95 -5.492 4.965 3.187 1.00 0.13 H new ATOM 0 HA ILE A 95 -7.273 4.186 5.411 1.00 0.17 H new ATOM 0 HB ILE A 95 -6.131 6.896 4.627 1.00 0.26 H new ATOM 0 HG12 ILE A 95 -4.581 5.511 5.901 1.00 0.27 H new ATOM 0 HG13 ILE A 95 -5.154 6.837 6.894 1.00 0.27 H new ATOM 0 HG21 ILE A 95 -7.392 7.816 6.532 1.00 0.35 H new ATOM 0 HG22 ILE A 95 -8.470 7.159 5.278 1.00 0.35 H new ATOM 0 HG23 ILE A 95 -8.175 6.237 6.771 1.00 0.35 H new ATOM 0 HD11 ILE A 95 -5.093 4.750 8.170 1.00 1.16 H new ATOM 0 HD12 ILE A 95 -6.767 5.329 8.000 1.00 1.16 H new ATOM 0 HD13 ILE A 95 -6.184 3.983 6.993 1.00 1.16 H new ATOM 1527 N SER A 96 -9.172 4.370 3.823 1.00 0.20 N ATOM 1528 CA SER A 96 -10.369 4.595 3.048 1.00 0.24 C ATOM 1529 C SER A 96 -11.175 5.707 3.689 1.00 0.28 C ATOM 1530 O SER A 96 -11.640 5.574 4.821 1.00 0.35 O ATOM 1531 CB SER A 96 -11.197 3.314 2.942 1.00 0.31 C ATOM 1532 OG SER A 96 -12.326 3.495 2.102 1.00 0.37 O ATOM 0 H SER A 96 -9.189 3.533 4.406 1.00 0.20 H new ATOM 0 HA SER A 96 -10.092 4.890 2.036 1.00 0.24 H new ATOM 0 HB2 SER A 96 -10.576 2.509 2.550 1.00 0.31 H new ATOM 0 HB3 SER A 96 -11.526 3.008 3.935 1.00 0.31 H new ATOM 0 HG SER A 96 -12.834 2.659 2.053 1.00 0.37 H new ATOM 1538 N THR A 97 -11.326 6.806 2.977 1.00 0.27 N ATOM 1539 CA THR A 97 -12.040 7.943 3.512 1.00 0.36 C ATOM 1540 C THR A 97 -13.523 7.844 3.151 1.00 0.48 C ATOM 1541 O THR A 97 -14.338 8.669 3.567 1.00 0.58 O ATOM 1542 CB THR A 97 -11.434 9.279 3.019 1.00 0.34 C ATOM 1543 OG1 THR A 97 -11.979 10.379 3.759 1.00 0.43 O ATOM 1544 CG2 THR A 97 -11.689 9.490 1.535 1.00 0.35 C ATOM 0 H THR A 97 -10.965 6.934 2.032 1.00 0.27 H new ATOM 0 HA THR A 97 -11.941 7.929 4.597 1.00 0.36 H new ATOM 0 HB THR A 97 -10.357 9.230 3.181 1.00 0.34 H new ATOM 0 HG1 THR A 97 -12.872 10.142 4.087 1.00 0.43 H new ATOM 0 HG21 THR A 97 -11.250 10.437 1.222 1.00 0.35 H new ATOM 0 HG22 THR A 97 -11.237 8.676 0.969 1.00 0.35 H new ATOM 0 HG23 THR A 97 -12.763 9.508 1.349 1.00 0.35 H new