USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 593 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 55 LYS NZ :NH3+ -121:sc=-3.75e-06 (180deg=-0.851) USER MOD Set 1.2: A 82 THR OG1 : rot -170:sc= 0 USER MOD Set 2.1: A 62 THR OG1 : rot 84:sc= 0.211 USER MOD Set 2.2: A 63 ASN : amide:sc= -0.644 K(o=-0.43,f=-5!) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 CYS SG : rot 27:sc= 0.143 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.231 X(o=-0.23,f=-0.0066) USER MOD Single : A 35 SER OG : rot 180:sc=-0.00549 USER MOD Single : A 43 MET CE :methyl -117:sc= -0.413 (180deg=-2.33!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -174:sc= 0.226 (180deg=0.186) USER MOD Single : A 57 ASN : amide:sc= -0.0869 K(o=-0.087,f=-1.6!) USER MOD Single : A 59 THR OG1 : rot 83:sc= 0.358 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -99:sc= -1.79! USER MOD Single : A 66 HIS : no HE2:sc= -3.9 K(o=-3.9,f=-5.4!) USER MOD Single : A 71 LYS NZ :NH3+ -164:sc= -0.291 (180deg=-0.501) USER MOD Single : A 74 LYS NZ :NH3+ 162:sc= -0.013 (180deg=-0.168) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N VAL A 8 -14.240 1.516 -7.272 1.00 0.00 N ATOM 67 CA VAL A 8 -13.548 2.658 -7.856 1.00 0.00 C ATOM 68 C VAL A 8 -12.058 2.621 -7.536 1.00 0.00 C ATOM 69 O VAL A 8 -11.662 2.688 -6.372 1.00 0.00 O ATOM 70 CB VAL A 8 -14.137 3.989 -7.353 1.00 0.00 C ATOM 71 CG1 VAL A 8 -13.379 5.167 -7.947 1.00 0.00 C ATOM 72 CG2 VAL A 8 -15.619 4.076 -7.686 1.00 0.00 C ATOM 0 HA VAL A 8 -13.686 2.593 -8.935 1.00 0.00 H new ATOM 0 HB VAL A 8 -14.029 4.027 -6.269 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -13.809 6.099 -7.580 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -12.331 5.111 -7.653 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -13.453 5.136 -9.034 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -16.018 5.023 -7.323 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -15.753 4.015 -8.766 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -16.148 3.252 -7.208 1.00 0.00 H new ATOM 82 N GLN A 9 -11.237 2.513 -8.575 1.00 0.00 N ATOM 83 CA GLN A 9 -9.790 2.466 -8.404 1.00 0.00 C ATOM 84 C GLN A 9 -9.140 3.753 -8.903 1.00 0.00 C ATOM 85 O GLN A 9 -9.592 4.348 -9.882 1.00 0.00 O ATOM 86 CB GLN A 9 -9.205 1.264 -9.147 1.00 0.00 C ATOM 87 CG GLN A 9 -9.386 1.334 -10.655 1.00 0.00 C ATOM 88 CD GLN A 9 -8.457 0.395 -11.398 1.00 0.00 C ATOM 89 OE1 GLN A 9 -7.572 0.832 -12.135 1.00 0.00 O ATOM 90 NE2 GLN A 9 -8.653 -0.905 -11.208 1.00 0.00 N ATOM 0 H GLN A 9 -11.549 2.456 -9.544 1.00 0.00 H new ATOM 0 HA GLN A 9 -9.579 2.363 -7.339 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -8.141 1.190 -8.920 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -9.675 0.354 -8.775 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -10.419 1.090 -10.905 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -9.209 2.356 -10.991 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -9.398 -1.223 -10.588 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -8.058 -1.585 -11.682 1.00 0.00 H new ATOM 99 N ARG A 10 -8.079 4.176 -8.225 1.00 0.00 N ATOM 100 CA ARG A 10 -7.368 5.393 -8.600 1.00 0.00 C ATOM 101 C ARG A 10 -5.903 5.095 -8.904 1.00 0.00 C ATOM 102 O ARG A 10 -5.379 4.049 -8.519 1.00 0.00 O ATOM 103 CB ARG A 10 -7.467 6.431 -7.480 1.00 0.00 C ATOM 104 CG ARG A 10 -6.918 7.795 -7.865 1.00 0.00 C ATOM 105 CD ARG A 10 -7.441 8.886 -6.945 1.00 0.00 C ATOM 106 NE ARG A 10 -7.391 10.203 -7.573 1.00 0.00 N ATOM 107 CZ ARG A 10 -8.175 10.566 -8.583 1.00 0.00 C ATOM 108 NH1 ARG A 10 -9.065 9.715 -9.075 1.00 0.00 N ATOM 109 NH2 ARG A 10 -8.070 11.783 -9.101 1.00 0.00 N ATOM 0 H ARG A 10 -7.692 3.695 -7.413 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.833 5.794 -9.501 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.511 6.538 -7.187 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -6.927 6.064 -6.607 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -5.829 7.775 -7.825 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -7.195 8.022 -8.895 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -8.469 8.659 -6.661 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.852 8.899 -6.028 1.00 0.00 H new ATOM 0 HE ARG A 10 -6.718 10.882 -7.217 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -9.149 8.779 -8.678 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -9.665 9.996 -9.850 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -7.387 12.441 -8.724 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -8.672 12.061 -9.876 1.00 0.00 H new ATOM 123 N CYS A 11 -5.249 6.020 -9.598 1.00 0.00 N ATOM 124 CA CYS A 11 -3.844 5.856 -9.956 1.00 0.00 C ATOM 125 C CYS A 11 -2.976 6.883 -9.236 1.00 0.00 C ATOM 126 O CYS A 11 -3.190 8.089 -9.361 1.00 0.00 O ATOM 127 CB CYS A 11 -3.663 5.988 -11.469 1.00 0.00 C ATOM 128 SG CYS A 11 -4.199 7.579 -12.140 1.00 0.00 S ATOM 0 H CYS A 11 -5.669 6.891 -9.924 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.529 4.860 -9.645 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -2.611 5.839 -11.713 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.221 5.191 -11.962 1.00 0.00 H new ATOM 0 HG CYS A 11 -4.110 8.491 -11.218 1.00 0.00 H new ATOM 134 N VAL A 12 -1.998 6.396 -8.479 1.00 0.00 N ATOM 135 CA VAL A 12 -1.097 7.271 -7.738 1.00 0.00 C ATOM 136 C VAL A 12 0.358 6.872 -7.954 1.00 0.00 C ATOM 137 O VAL A 12 0.695 5.688 -7.947 1.00 0.00 O ATOM 138 CB VAL A 12 -1.407 7.247 -6.229 1.00 0.00 C ATOM 139 CG1 VAL A 12 -1.059 5.891 -5.635 1.00 0.00 C ATOM 140 CG2 VAL A 12 -0.657 8.360 -5.514 1.00 0.00 C ATOM 0 H VAL A 12 -1.809 5.400 -8.363 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.253 8.281 -8.117 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.475 7.414 -6.092 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.284 5.892 -4.569 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.645 5.116 -6.129 1.00 0.00 H new ATOM 0 HG13 VAL A 12 0.003 5.691 -5.781 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.888 8.328 -4.449 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.415 8.227 -5.657 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.960 9.324 -5.922 1.00 0.00 H new ATOM 150 N ILE A 13 1.217 7.868 -8.144 1.00 0.00 N ATOM 151 CA ILE A 13 2.637 7.621 -8.360 1.00 0.00 C ATOM 152 C ILE A 13 3.489 8.400 -7.363 1.00 0.00 C ATOM 153 O ILE A 13 3.299 9.602 -7.175 1.00 0.00 O ATOM 154 CB ILE A 13 3.064 8.002 -9.790 1.00 0.00 C ATOM 155 CG1 ILE A 13 2.348 7.116 -10.812 1.00 0.00 C ATOM 156 CG2 ILE A 13 4.573 7.882 -9.942 1.00 0.00 C ATOM 157 CD1 ILE A 13 2.377 7.672 -12.218 1.00 0.00 C ATOM 0 H ILE A 13 0.954 8.854 -8.153 1.00 0.00 H new ATOM 0 HA ILE A 13 2.797 6.553 -8.214 1.00 0.00 H new ATOM 0 HB ILE A 13 2.781 9.039 -9.974 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.809 6.128 -10.811 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.311 6.984 -10.503 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.859 8.155 -10.958 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.064 8.550 -9.235 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.878 6.855 -9.742 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.851 6.993 -12.889 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.890 8.647 -12.234 1.00 0.00 H new ATOM 0 HD13 ILE A 13 3.411 7.778 -12.546 1.00 0.00 H new ATOM 169 N ILE A 14 4.428 7.707 -6.727 1.00 0.00 N ATOM 170 CA ILE A 14 5.311 8.335 -5.752 1.00 0.00 C ATOM 171 C ILE A 14 6.752 8.354 -6.248 1.00 0.00 C ATOM 172 O ILE A 14 7.327 7.310 -6.555 1.00 0.00 O ATOM 173 CB ILE A 14 5.256 7.609 -4.395 1.00 0.00 C ATOM 174 CG1 ILE A 14 3.805 7.437 -3.941 1.00 0.00 C ATOM 175 CG2 ILE A 14 6.055 8.376 -3.352 1.00 0.00 C ATOM 176 CD1 ILE A 14 3.580 6.208 -3.089 1.00 0.00 C ATOM 0 H ILE A 14 4.597 6.711 -6.869 1.00 0.00 H new ATOM 0 HA ILE A 14 4.961 9.359 -5.622 1.00 0.00 H new ATOM 0 HB ILE A 14 5.700 6.620 -4.511 1.00 0.00 H new ATOM 0 HG12 ILE A 14 3.502 8.320 -3.378 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.162 7.383 -4.819 1.00 0.00 H new ATOM 0 HG21 ILE A 14 6.007 7.851 -2.398 1.00 0.00 H new ATOM 0 HG22 ILE A 14 7.094 8.451 -3.673 1.00 0.00 H new ATOM 0 HG23 ILE A 14 5.637 9.376 -3.237 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.530 6.150 -2.804 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.851 5.318 -3.656 1.00 0.00 H new ATOM 0 HD13 ILE A 14 4.197 6.269 -2.192 1.00 0.00 H new ATOM 188 N GLN A 15 7.331 9.548 -6.322 1.00 0.00 N ATOM 189 CA GLN A 15 8.707 9.703 -6.779 1.00 0.00 C ATOM 190 C GLN A 15 9.652 9.916 -5.601 1.00 0.00 C ATOM 191 O GLN A 15 9.514 10.879 -4.847 1.00 0.00 O ATOM 192 CB GLN A 15 8.814 10.878 -7.753 1.00 0.00 C ATOM 193 CG GLN A 15 8.681 12.237 -7.083 1.00 0.00 C ATOM 194 CD GLN A 15 8.599 13.374 -8.082 1.00 0.00 C ATOM 195 OE1 GLN A 15 9.395 13.451 -9.019 1.00 0.00 O ATOM 196 NE2 GLN A 15 7.634 14.265 -7.888 1.00 0.00 N ATOM 0 H GLN A 15 6.869 10.422 -6.071 1.00 0.00 H new ATOM 0 HA GLN A 15 8.998 8.787 -7.293 1.00 0.00 H new ATOM 0 HB2 GLN A 15 9.774 10.828 -8.266 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.040 10.780 -8.514 1.00 0.00 H new ATOM 0 HG2 GLN A 15 7.789 12.243 -6.457 1.00 0.00 H new ATOM 0 HG3 GLN A 15 9.534 12.398 -6.424 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.996 14.162 -7.098 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.530 15.052 -8.529 1.00 0.00 H new ATOM 205 N LYS A 16 10.612 9.011 -5.448 1.00 0.00 N ATOM 206 CA LYS A 16 11.581 9.099 -4.362 1.00 0.00 C ATOM 207 C LYS A 16 11.996 10.546 -4.120 1.00 0.00 C ATOM 208 O LYS A 16 12.234 11.300 -5.063 1.00 0.00 O ATOM 209 CB LYS A 16 12.814 8.250 -4.682 1.00 0.00 C ATOM 210 CG LYS A 16 13.280 8.372 -6.122 1.00 0.00 C ATOM 211 CD LYS A 16 14.531 7.547 -6.376 1.00 0.00 C ATOM 212 CE LYS A 16 15.137 7.858 -7.735 1.00 0.00 C ATOM 213 NZ LYS A 16 16.220 6.900 -8.092 1.00 0.00 N ATOM 0 H LYS A 16 10.740 8.207 -6.063 1.00 0.00 H new ATOM 0 HA LYS A 16 11.110 8.718 -3.456 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.628 8.543 -4.019 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.590 7.205 -4.469 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.485 8.044 -6.792 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.480 9.418 -6.353 1.00 0.00 H new ATOM 0 HD2 LYS A 16 15.265 7.747 -5.595 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.286 6.486 -6.320 1.00 0.00 H new ATOM 0 HE2 LYS A 16 14.358 7.825 -8.496 1.00 0.00 H new ATOM 0 HE3 LYS A 16 15.536 8.872 -7.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 16.607 7.146 -9.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 16.976 6.949 -7.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 15.834 5.935 -8.121 1.00 0.00 H new ATOM 281 N PHE A 21 11.067 6.075 -0.113 1.00 0.00 N ATOM 282 CA PHE A 21 9.647 5.881 0.152 1.00 0.00 C ATOM 283 C PHE A 21 9.363 5.915 1.651 1.00 0.00 C ATOM 284 O PHE A 21 10.215 5.556 2.463 1.00 0.00 O ATOM 285 CB PHE A 21 9.174 4.550 -0.437 1.00 0.00 C ATOM 286 CG PHE A 21 9.560 4.361 -1.877 1.00 0.00 C ATOM 287 CD1 PHE A 21 9.024 5.172 -2.864 1.00 0.00 C ATOM 288 CD2 PHE A 21 10.459 3.372 -2.242 1.00 0.00 C ATOM 289 CE1 PHE A 21 9.377 4.999 -4.189 1.00 0.00 C ATOM 290 CE2 PHE A 21 10.816 3.195 -3.566 1.00 0.00 C ATOM 291 CZ PHE A 21 10.275 4.011 -4.540 1.00 0.00 C ATOM 0 HA PHE A 21 9.100 6.696 -0.322 1.00 0.00 H new ATOM 0 HB2 PHE A 21 9.589 3.733 0.153 1.00 0.00 H new ATOM 0 HB3 PHE A 21 8.089 4.488 -0.349 1.00 0.00 H new ATOM 0 HD1 PHE A 21 8.323 5.948 -2.595 1.00 0.00 H new ATOM 0 HD2 PHE A 21 10.886 2.732 -1.484 1.00 0.00 H new ATOM 0 HE1 PHE A 21 8.951 5.636 -4.949 1.00 0.00 H new ATOM 0 HE2 PHE A 21 11.517 2.420 -3.838 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.554 3.876 -5.575 1.00 0.00 H new ATOM 301 N GLY A 22 8.160 6.351 2.010 1.00 0.00 N ATOM 302 CA GLY A 22 7.785 6.426 3.410 1.00 0.00 C ATOM 303 C GLY A 22 6.458 5.750 3.692 1.00 0.00 C ATOM 304 O GLY A 22 5.638 6.267 4.451 1.00 0.00 O ATOM 0 H GLY A 22 7.438 6.654 1.356 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.562 5.961 4.016 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.728 7.472 3.712 1.00 0.00 H new ATOM 308 N PHE A 23 6.244 4.591 3.078 1.00 0.00 N ATOM 309 CA PHE A 23 5.006 3.844 3.264 1.00 0.00 C ATOM 310 C PHE A 23 5.290 2.356 3.446 1.00 0.00 C ATOM 311 O PHE A 23 6.048 1.758 2.681 1.00 0.00 O ATOM 312 CB PHE A 23 4.073 4.054 2.069 1.00 0.00 C ATOM 313 CG PHE A 23 4.448 3.237 0.866 1.00 0.00 C ATOM 314 CD1 PHE A 23 5.458 3.657 0.015 1.00 0.00 C ATOM 315 CD2 PHE A 23 3.792 2.050 0.586 1.00 0.00 C ATOM 316 CE1 PHE A 23 5.804 2.908 -1.094 1.00 0.00 C ATOM 317 CE2 PHE A 23 4.134 1.296 -0.521 1.00 0.00 C ATOM 318 CZ PHE A 23 5.143 1.726 -1.362 1.00 0.00 C ATOM 0 H PHE A 23 6.912 4.149 2.447 1.00 0.00 H new ATOM 0 HA PHE A 23 4.519 4.216 4.166 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.054 3.804 2.365 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.076 5.109 1.797 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.980 4.580 0.221 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.003 1.709 1.241 1.00 0.00 H new ATOM 0 HE1 PHE A 23 6.591 3.247 -1.751 1.00 0.00 H new ATOM 0 HE2 PHE A 23 3.614 0.373 -0.728 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.414 1.139 -2.227 1.00 0.00 H new ATOM 328 N THR A 24 4.677 1.762 4.466 1.00 0.00 N ATOM 329 CA THR A 24 4.865 0.345 4.751 1.00 0.00 C ATOM 330 C THR A 24 3.588 -0.443 4.485 1.00 0.00 C ATOM 331 O THR A 24 2.495 -0.021 4.864 1.00 0.00 O ATOM 332 CB THR A 24 5.300 0.119 6.211 1.00 0.00 C ATOM 333 OG1 THR A 24 4.434 0.837 7.097 1.00 0.00 O ATOM 334 CG2 THR A 24 6.737 0.568 6.424 1.00 0.00 C ATOM 0 H THR A 24 4.046 2.241 5.108 1.00 0.00 H new ATOM 0 HA THR A 24 5.653 -0.010 4.086 1.00 0.00 H new ATOM 0 HB THR A 24 5.235 -0.948 6.425 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.716 0.687 8.023 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.021 0.398 7.463 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.397 -0.002 5.770 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.825 1.630 6.193 1.00 0.00 H new ATOM 342 N VAL A 25 3.732 -1.591 3.830 1.00 0.00 N ATOM 343 CA VAL A 25 2.589 -2.440 3.515 1.00 0.00 C ATOM 344 C VAL A 25 2.703 -3.794 4.207 1.00 0.00 C ATOM 345 O VAL A 25 3.750 -4.137 4.755 1.00 0.00 O ATOM 346 CB VAL A 25 2.457 -2.661 1.996 1.00 0.00 C ATOM 347 CG1 VAL A 25 1.963 -1.396 1.313 1.00 0.00 C ATOM 348 CG2 VAL A 25 3.785 -3.112 1.406 1.00 0.00 C ATOM 0 H VAL A 25 4.629 -1.954 3.507 1.00 0.00 H new ATOM 0 HA VAL A 25 1.701 -1.924 3.878 1.00 0.00 H new ATOM 0 HB VAL A 25 1.723 -3.448 1.823 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.876 -1.572 0.241 1.00 0.00 H new ATOM 0 HG12 VAL A 25 0.988 -1.122 1.716 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.670 -0.586 1.492 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.673 -3.263 0.332 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.542 -2.349 1.588 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.092 -4.047 1.874 1.00 0.00 H new ATOM 358 N SER A 26 1.617 -4.560 4.178 1.00 0.00 N ATOM 359 CA SER A 26 1.593 -5.876 4.805 1.00 0.00 C ATOM 360 C SER A 26 0.336 -6.644 4.408 1.00 0.00 C ATOM 361 O SER A 26 -0.725 -6.057 4.203 1.00 0.00 O ATOM 362 CB SER A 26 1.661 -5.740 6.327 1.00 0.00 C ATOM 363 OG SER A 26 2.305 -6.859 6.911 1.00 0.00 O ATOM 0 H SER A 26 0.742 -4.292 3.727 1.00 0.00 H new ATOM 0 HA SER A 26 2.463 -6.433 4.457 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.198 -4.829 6.590 1.00 0.00 H new ATOM 0 HB3 SER A 26 0.654 -5.644 6.732 1.00 0.00 H new ATOM 0 HG SER A 26 2.337 -6.747 7.884 1.00 0.00 H new ATOM 369 N GLY A 27 0.465 -7.963 4.301 1.00 0.00 N ATOM 370 CA GLY A 27 -0.666 -8.792 3.928 1.00 0.00 C ATOM 371 C GLY A 27 -0.276 -9.921 2.995 1.00 0.00 C ATOM 372 O GLY A 27 0.277 -9.684 1.921 1.00 0.00 O ATOM 0 H GLY A 27 1.333 -8.472 4.466 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.119 -9.209 4.828 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -1.423 -8.173 3.447 1.00 0.00 H new ATOM 376 N ASP A 28 -0.563 -11.151 3.405 1.00 0.00 N ATOM 377 CA ASP A 28 -0.238 -12.321 2.598 1.00 0.00 C ATOM 378 C ASP A 28 -0.950 -12.266 1.249 1.00 0.00 C ATOM 379 O ASP A 28 -0.316 -12.356 0.198 1.00 0.00 O ATOM 380 CB ASP A 28 -0.624 -13.602 3.340 1.00 0.00 C ATOM 381 CG ASP A 28 0.414 -14.012 4.366 1.00 0.00 C ATOM 382 OD1 ASP A 28 0.950 -13.119 5.056 1.00 0.00 O ATOM 383 OD2 ASP A 28 0.692 -15.224 4.478 1.00 0.00 O ATOM 0 H ASP A 28 -1.020 -11.364 4.292 1.00 0.00 H new ATOM 0 HA ASP A 28 0.838 -12.322 2.421 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.583 -13.456 3.836 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.758 -14.409 2.620 1.00 0.00 H new ATOM 388 N ARG A 29 -2.270 -12.118 1.288 1.00 0.00 N ATOM 389 CA ARG A 29 -3.067 -12.054 0.070 1.00 0.00 C ATOM 390 C ARG A 29 -3.612 -10.645 -0.150 1.00 0.00 C ATOM 391 O ARG A 29 -3.408 -10.048 -1.208 1.00 0.00 O ATOM 392 CB ARG A 29 -4.223 -13.054 0.137 1.00 0.00 C ATOM 393 CG ARG A 29 -3.872 -14.428 -0.409 1.00 0.00 C ATOM 394 CD ARG A 29 -3.713 -14.402 -1.921 1.00 0.00 C ATOM 395 NE ARG A 29 -4.991 -14.565 -2.609 1.00 0.00 N ATOM 396 CZ ARG A 29 -5.668 -15.708 -2.641 1.00 0.00 C ATOM 397 NH1 ARG A 29 -5.191 -16.782 -2.028 1.00 0.00 N ATOM 398 NH2 ARG A 29 -6.824 -15.778 -3.288 1.00 0.00 N ATOM 0 H ARG A 29 -2.810 -12.040 2.150 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.421 -12.311 -0.770 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.545 -13.156 1.173 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.070 -12.656 -0.422 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.947 -14.778 0.049 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.652 -15.139 -0.136 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.257 -13.458 -2.221 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.032 -15.196 -2.228 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.385 -13.757 -3.091 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.302 -16.732 -1.530 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -5.713 -17.658 -2.054 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.194 -14.954 -3.762 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.343 -16.656 -3.312 1.00 0.00 H new ATOM 412 N ILE A 30 -4.303 -10.120 0.856 1.00 0.00 N ATOM 413 CA ILE A 30 -4.876 -8.783 0.773 1.00 0.00 C ATOM 414 C ILE A 30 -3.902 -7.734 1.301 1.00 0.00 C ATOM 415 O ILE A 30 -3.998 -7.306 2.451 1.00 0.00 O ATOM 416 CB ILE A 30 -6.196 -8.685 1.561 1.00 0.00 C ATOM 417 CG1 ILE A 30 -7.169 -9.774 1.106 1.00 0.00 C ATOM 418 CG2 ILE A 30 -6.816 -7.306 1.387 1.00 0.00 C ATOM 419 CD1 ILE A 30 -7.811 -9.489 -0.234 1.00 0.00 C ATOM 0 H ILE A 30 -4.479 -10.601 1.738 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.077 -8.591 -0.281 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.982 -8.835 2.619 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.638 -10.724 1.051 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.950 -9.889 1.857 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -7.748 -7.252 1.950 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.125 -6.547 1.756 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -7.019 -7.129 0.331 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -8.488 -10.303 -0.493 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -8.370 -8.555 -0.178 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.038 -9.404 -0.997 1.00 0.00 H new ATOM 431 N VAL A 31 -2.966 -7.323 0.452 1.00 0.00 N ATOM 432 CA VAL A 31 -1.976 -6.322 0.832 1.00 0.00 C ATOM 433 C VAL A 31 -2.640 -4.990 1.161 1.00 0.00 C ATOM 434 O VAL A 31 -3.453 -4.481 0.388 1.00 0.00 O ATOM 435 CB VAL A 31 -0.940 -6.105 -0.287 1.00 0.00 C ATOM 436 CG1 VAL A 31 0.077 -5.051 0.124 1.00 0.00 C ATOM 437 CG2 VAL A 31 -0.251 -7.415 -0.637 1.00 0.00 C ATOM 0 H VAL A 31 -2.872 -7.668 -0.503 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.468 -6.700 1.719 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.460 -5.747 -1.175 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.801 -4.911 -0.679 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.435 -4.109 0.320 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.594 -5.377 1.026 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.477 -7.243 -1.429 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.257 -7.806 0.245 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.993 -8.137 -0.978 1.00 0.00 H new ATOM 447 N LEU A 32 -2.288 -4.429 2.312 1.00 0.00 N ATOM 448 CA LEU A 32 -2.850 -3.154 2.745 1.00 0.00 C ATOM 449 C LEU A 32 -1.775 -2.270 3.371 1.00 0.00 C ATOM 450 O LEU A 32 -0.857 -2.762 4.027 1.00 0.00 O ATOM 451 CB LEU A 32 -3.982 -3.386 3.746 1.00 0.00 C ATOM 452 CG LEU A 32 -5.167 -4.211 3.241 1.00 0.00 C ATOM 453 CD1 LEU A 32 -5.851 -4.925 4.395 1.00 0.00 C ATOM 454 CD2 LEU A 32 -6.156 -3.323 2.499 1.00 0.00 C ATOM 0 H LEU A 32 -1.616 -4.836 2.962 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.249 -2.644 1.868 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.568 -3.882 4.624 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.354 -2.416 4.074 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.792 -4.963 2.547 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.691 -5.507 4.016 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.140 -5.591 4.884 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.213 -4.190 5.114 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.993 -3.926 2.146 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.525 -2.548 3.171 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.660 -2.858 1.647 1.00 0.00 H new ATOM 466 N VAL A 33 -1.898 -0.963 3.166 1.00 0.00 N ATOM 467 CA VAL A 33 -0.939 -0.010 3.712 1.00 0.00 C ATOM 468 C VAL A 33 -0.975 -0.007 5.236 1.00 0.00 C ATOM 469 O VAL A 33 -1.967 0.397 5.842 1.00 0.00 O ATOM 470 CB VAL A 33 -1.213 1.417 3.201 1.00 0.00 C ATOM 471 CG1 VAL A 33 -0.233 2.403 3.819 1.00 0.00 C ATOM 472 CG2 VAL A 33 -1.139 1.461 1.682 1.00 0.00 C ATOM 0 H VAL A 33 -2.652 -0.540 2.626 1.00 0.00 H new ATOM 0 HA VAL A 33 0.048 -0.326 3.375 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.220 1.705 3.502 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -0.442 3.406 3.446 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.339 2.390 4.904 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.785 2.121 3.550 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.335 2.476 1.337 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.145 1.153 1.357 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.884 0.785 1.262 1.00 0.00 H new ATOM 482 N GLN A 34 0.113 -0.461 5.849 1.00 0.00 N ATOM 483 CA GLN A 34 0.206 -0.511 7.304 1.00 0.00 C ATOM 484 C GLN A 34 0.202 0.894 7.898 1.00 0.00 C ATOM 485 O GLN A 34 -0.606 1.206 8.773 1.00 0.00 O ATOM 486 CB GLN A 34 1.473 -1.255 7.730 1.00 0.00 C ATOM 487 CG GLN A 34 1.577 -1.468 9.232 1.00 0.00 C ATOM 488 CD GLN A 34 0.802 -2.682 9.704 1.00 0.00 C ATOM 489 OE1 GLN A 34 -0.064 -2.581 10.573 1.00 0.00 O ATOM 490 NE2 GLN A 34 1.111 -3.841 9.132 1.00 0.00 N ATOM 0 H GLN A 34 0.942 -0.800 5.361 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.665 -1.047 7.681 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.501 -2.224 7.231 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.345 -0.696 7.389 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.626 -1.581 9.507 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.206 -0.582 9.747 1.00 0.00 H new ATOM 0 HE21 GLN A 34 1.836 -3.879 8.415 1.00 0.00 H new ATOM 0 HE22 GLN A 34 0.623 -4.693 9.409 1.00 0.00 H new ATOM 499 N SER A 35 1.110 1.737 7.417 1.00 0.00 N ATOM 500 CA SER A 35 1.214 3.107 7.904 1.00 0.00 C ATOM 501 C SER A 35 1.798 4.022 6.832 1.00 0.00 C ATOM 502 O SER A 35 2.370 3.556 5.846 1.00 0.00 O ATOM 503 CB SER A 35 2.082 3.159 9.163 1.00 0.00 C ATOM 504 OG SER A 35 1.988 4.424 9.796 1.00 0.00 O ATOM 0 H SER A 35 1.784 1.495 6.691 1.00 0.00 H new ATOM 0 HA SER A 35 0.211 3.456 8.148 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.770 2.378 9.856 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.120 2.956 8.901 1.00 0.00 H new ATOM 0 HG SER A 35 2.550 4.431 10.599 1.00 0.00 H new ATOM 510 N VAL A 36 1.650 5.328 7.032 1.00 0.00 N ATOM 511 CA VAL A 36 2.164 6.309 6.084 1.00 0.00 C ATOM 512 C VAL A 36 2.908 7.430 6.802 1.00 0.00 C ATOM 513 O VAL A 36 2.309 8.216 7.536 1.00 0.00 O ATOM 514 CB VAL A 36 1.030 6.920 5.239 1.00 0.00 C ATOM 515 CG1 VAL A 36 1.564 8.036 4.355 1.00 0.00 C ATOM 516 CG2 VAL A 36 0.350 5.845 4.404 1.00 0.00 C ATOM 0 H VAL A 36 1.178 5.731 7.842 1.00 0.00 H new ATOM 0 HA VAL A 36 2.855 5.782 5.426 1.00 0.00 H new ATOM 0 HB VAL A 36 0.288 7.348 5.913 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.748 8.455 3.766 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.000 8.817 4.978 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.327 7.637 3.686 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.449 6.294 3.813 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.080 5.386 3.738 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.069 5.084 5.062 1.00 0.00 H new ATOM 526 N ARG A 37 4.217 7.497 6.584 1.00 0.00 N ATOM 527 CA ARG A 37 5.044 8.521 7.211 1.00 0.00 C ATOM 528 C ARG A 37 4.324 9.867 7.227 1.00 0.00 C ATOM 529 O ARG A 37 3.695 10.274 6.250 1.00 0.00 O ATOM 530 CB ARG A 37 6.377 8.653 6.472 1.00 0.00 C ATOM 531 CG ARG A 37 7.520 9.122 7.357 1.00 0.00 C ATOM 532 CD ARG A 37 8.871 8.750 6.766 1.00 0.00 C ATOM 533 NE ARG A 37 9.911 9.707 7.134 1.00 0.00 N ATOM 534 CZ ARG A 37 11.199 9.537 6.855 1.00 0.00 C ATOM 535 NH1 ARG A 37 11.602 8.452 6.208 1.00 0.00 N ATOM 536 NH2 ARG A 37 12.086 10.452 7.222 1.00 0.00 N ATOM 0 H ARG A 37 4.728 6.855 5.978 1.00 0.00 H new ATOM 0 HA ARG A 37 5.235 8.218 8.240 1.00 0.00 H new ATOM 0 HB2 ARG A 37 6.638 7.689 6.036 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.257 9.354 5.646 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.463 10.203 7.485 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.420 8.678 8.348 1.00 0.00 H new ATOM 0 HD2 ARG A 37 9.156 7.755 7.109 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.791 8.701 5.680 1.00 0.00 H new ATOM 0 HE ARG A 37 9.633 10.552 7.633 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.923 7.746 5.924 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.591 8.323 5.995 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.780 11.288 7.719 1.00 0.00 H new ATOM 0 HH22 ARG A 37 13.074 10.319 7.007 1.00 0.00 H new ATOM 550 N PRO A 38 4.416 10.574 8.363 1.00 0.00 N ATOM 551 CA PRO A 38 3.780 11.883 8.534 1.00 0.00 C ATOM 552 C PRO A 38 4.446 12.966 7.691 1.00 0.00 C ATOM 553 O PRO A 38 3.982 14.104 7.646 1.00 0.00 O ATOM 554 CB PRO A 38 3.968 12.177 10.025 1.00 0.00 C ATOM 555 CG PRO A 38 5.170 11.390 10.417 1.00 0.00 C ATOM 556 CD PRO A 38 5.150 10.150 9.568 1.00 0.00 C ATOM 0 HA PRO A 38 2.738 11.874 8.215 1.00 0.00 H new ATOM 0 HB2 PRO A 38 4.117 13.242 10.203 1.00 0.00 H new ATOM 0 HB3 PRO A 38 3.093 11.877 10.601 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.082 11.962 10.250 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.142 11.137 11.477 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.158 9.812 9.327 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.649 9.324 10.074 1.00 0.00 H new ATOM 564 N GLY A 39 5.536 12.602 7.022 1.00 0.00 N ATOM 565 CA GLY A 39 6.247 13.554 6.189 1.00 0.00 C ATOM 566 C GLY A 39 7.195 12.879 5.217 1.00 0.00 C ATOM 567 O GLY A 39 8.339 13.303 5.058 1.00 0.00 O ATOM 0 H GLY A 39 5.939 11.665 7.042 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.527 14.154 5.632 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.809 14.239 6.824 1.00 0.00 H new ATOM 571 N GLY A 40 6.718 11.823 4.565 1.00 0.00 N ATOM 572 CA GLY A 40 7.544 11.104 3.613 1.00 0.00 C ATOM 573 C GLY A 40 7.229 11.473 2.177 1.00 0.00 C ATOM 574 O GLY A 40 7.126 12.652 1.840 1.00 0.00 O ATOM 0 H GLY A 40 5.774 11.453 4.679 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.594 11.314 3.817 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.401 10.032 3.749 1.00 0.00 H new ATOM 578 N ALA A 41 7.076 10.462 1.328 1.00 0.00 N ATOM 579 CA ALA A 41 6.771 10.686 -0.080 1.00 0.00 C ATOM 580 C ALA A 41 5.372 10.185 -0.425 1.00 0.00 C ATOM 581 O ALA A 41 4.659 10.802 -1.215 1.00 0.00 O ATOM 582 CB ALA A 41 7.809 10.006 -0.960 1.00 0.00 C ATOM 0 H ALA A 41 7.158 9.480 1.591 1.00 0.00 H new ATOM 0 HA ALA A 41 6.801 11.760 -0.266 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.568 10.182 -2.009 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.796 10.414 -0.741 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.808 8.934 -0.762 1.00 0.00 H new ATOM 588 N ALA A 42 4.987 9.062 0.173 1.00 0.00 N ATOM 589 CA ALA A 42 3.673 8.479 -0.070 1.00 0.00 C ATOM 590 C ALA A 42 2.562 9.455 0.303 1.00 0.00 C ATOM 591 O ALA A 42 1.689 9.755 -0.510 1.00 0.00 O ATOM 592 CB ALA A 42 3.520 7.180 0.707 1.00 0.00 C ATOM 0 H ALA A 42 5.566 8.538 0.829 1.00 0.00 H new ATOM 0 HA ALA A 42 3.590 8.264 -1.135 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.534 6.756 0.516 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.287 6.473 0.389 1.00 0.00 H new ATOM 0 HB3 ALA A 42 3.629 7.379 1.773 1.00 0.00 H new ATOM 598 N MET A 43 2.602 9.945 1.537 1.00 0.00 N ATOM 599 CA MET A 43 1.598 10.888 2.017 1.00 0.00 C ATOM 600 C MET A 43 1.419 12.039 1.032 1.00 0.00 C ATOM 601 O MET A 43 0.304 12.328 0.595 1.00 0.00 O ATOM 602 CB MET A 43 1.994 11.433 3.390 1.00 0.00 C ATOM 603 CG MET A 43 0.982 12.405 3.974 1.00 0.00 C ATOM 604 SD MET A 43 1.171 12.620 5.754 1.00 0.00 S ATOM 605 CE MET A 43 0.612 11.026 6.349 1.00 0.00 C ATOM 0 H MET A 43 3.318 9.705 2.223 1.00 0.00 H new ATOM 0 HA MET A 43 0.650 10.357 2.105 1.00 0.00 H new ATOM 0 HB2 MET A 43 2.123 10.599 4.079 1.00 0.00 H new ATOM 0 HB3 MET A 43 2.960 11.932 3.309 1.00 0.00 H new ATOM 0 HG2 MET A 43 1.087 13.372 3.482 1.00 0.00 H new ATOM 0 HG3 MET A 43 -0.025 12.047 3.760 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.280 11.159 6.961 1.00 0.00 H new ATOM 0 HE2 MET A 43 0.378 10.383 5.501 1.00 0.00 H new ATOM 0 HE3 MET A 43 1.398 10.565 6.948 1.00 0.00 H new ATOM 615 N LYS A 44 2.522 12.694 0.688 1.00 0.00 N ATOM 616 CA LYS A 44 2.488 13.814 -0.246 1.00 0.00 C ATOM 617 C LYS A 44 1.616 13.488 -1.454 1.00 0.00 C ATOM 618 O LYS A 44 0.874 14.339 -1.944 1.00 0.00 O ATOM 619 CB LYS A 44 3.904 14.164 -0.706 1.00 0.00 C ATOM 620 CG LYS A 44 4.696 14.961 0.317 1.00 0.00 C ATOM 621 CD LYS A 44 6.081 15.311 -0.201 1.00 0.00 C ATOM 622 CE LYS A 44 6.835 16.196 0.780 1.00 0.00 C ATOM 623 NZ LYS A 44 8.154 16.626 0.239 1.00 0.00 N ATOM 0 H LYS A 44 3.452 12.469 1.042 1.00 0.00 H new ATOM 0 HA LYS A 44 2.058 14.672 0.270 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.442 13.243 -0.932 1.00 0.00 H new ATOM 0 HB3 LYS A 44 3.845 14.735 -1.633 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.157 15.876 0.564 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.786 14.385 1.238 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.647 14.396 -0.377 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.994 15.821 -1.160 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.234 17.075 1.012 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.985 15.656 1.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.636 17.227 0.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.738 15.788 0.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.010 17.163 -0.640 1.00 0.00 H new ATOM 637 N ALA A 45 1.710 12.250 -1.930 1.00 0.00 N ATOM 638 CA ALA A 45 0.926 11.812 -3.078 1.00 0.00 C ATOM 639 C ALA A 45 -0.553 11.700 -2.724 1.00 0.00 C ATOM 640 O ALA A 45 -1.421 11.910 -3.570 1.00 0.00 O ATOM 641 CB ALA A 45 1.449 10.479 -3.595 1.00 0.00 C ATOM 0 H ALA A 45 2.321 11.533 -1.538 1.00 0.00 H new ATOM 0 HA ALA A 45 1.028 12.561 -3.863 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.855 10.163 -4.452 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.491 10.589 -3.896 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.376 9.729 -2.807 1.00 0.00 H new ATOM 647 N GLY A 46 -0.833 11.369 -1.467 1.00 0.00 N ATOM 648 CA GLY A 46 -2.208 11.235 -1.024 1.00 0.00 C ATOM 649 C GLY A 46 -2.555 9.813 -0.634 1.00 0.00 C ATOM 650 O GLY A 46 -3.648 9.329 -0.931 1.00 0.00 O ATOM 0 H GLY A 46 -0.132 11.191 -0.748 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.378 11.894 -0.172 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.877 11.564 -1.820 1.00 0.00 H new ATOM 654 N VAL A 47 -1.623 9.139 0.033 1.00 0.00 N ATOM 655 CA VAL A 47 -1.836 7.762 0.464 1.00 0.00 C ATOM 656 C VAL A 47 -2.265 7.704 1.926 1.00 0.00 C ATOM 657 O VAL A 47 -1.723 8.416 2.772 1.00 0.00 O ATOM 658 CB VAL A 47 -0.564 6.914 0.280 1.00 0.00 C ATOM 659 CG1 VAL A 47 -0.793 5.494 0.774 1.00 0.00 C ATOM 660 CG2 VAL A 47 -0.129 6.916 -1.178 1.00 0.00 C ATOM 0 H VAL A 47 -0.713 9.524 0.287 1.00 0.00 H new ATOM 0 HA VAL A 47 -2.630 7.354 -0.161 1.00 0.00 H new ATOM 0 HB VAL A 47 0.235 7.356 0.875 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.117 4.910 0.636 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.054 5.515 1.832 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.606 5.039 0.209 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.771 6.312 -1.290 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.925 6.499 -1.796 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.078 7.938 -1.494 1.00 0.00 H new ATOM 670 N LYS A 48 -3.242 6.852 2.217 1.00 0.00 N ATOM 671 CA LYS A 48 -3.744 6.698 3.577 1.00 0.00 C ATOM 672 C LYS A 48 -3.542 5.271 4.073 1.00 0.00 C ATOM 673 O LYS A 48 -3.288 4.360 3.285 1.00 0.00 O ATOM 674 CB LYS A 48 -5.229 7.066 3.639 1.00 0.00 C ATOM 675 CG LYS A 48 -6.097 6.248 2.699 1.00 0.00 C ATOM 676 CD LYS A 48 -7.361 6.998 2.313 1.00 0.00 C ATOM 677 CE LYS A 48 -8.320 6.111 1.534 1.00 0.00 C ATOM 678 NZ LYS A 48 -7.736 5.667 0.238 1.00 0.00 N ATOM 0 H LYS A 48 -3.702 6.257 1.528 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.182 7.371 4.224 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.586 6.931 4.660 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.343 8.123 3.399 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.530 6.002 1.801 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.364 5.305 3.176 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.855 7.368 3.212 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.099 7.869 1.712 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.577 5.238 2.135 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.247 6.654 1.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.455 5.150 -0.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.421 6.497 -0.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.924 5.043 0.419 1.00 0.00 H new ATOM 692 N GLU A 49 -3.657 5.083 5.384 1.00 0.00 N ATOM 693 CA GLU A 49 -3.487 3.765 5.984 1.00 0.00 C ATOM 694 C GLU A 49 -4.722 2.899 5.755 1.00 0.00 C ATOM 695 O GLU A 49 -5.849 3.392 5.761 1.00 0.00 O ATOM 696 CB GLU A 49 -3.213 3.894 7.484 1.00 0.00 C ATOM 697 CG GLU A 49 -1.971 4.706 7.808 1.00 0.00 C ATOM 698 CD GLU A 49 -2.252 6.193 7.896 1.00 0.00 C ATOM 699 OE1 GLU A 49 -2.756 6.642 8.947 1.00 0.00 O ATOM 700 OE2 GLU A 49 -1.968 6.909 6.913 1.00 0.00 O ATOM 0 H GLU A 49 -3.867 5.826 6.050 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.634 3.284 5.506 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -4.075 4.357 7.964 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.107 2.897 7.912 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.554 4.362 8.755 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.215 4.528 7.043 1.00 0.00 H new ATOM 707 N GLY A 50 -4.501 1.604 5.550 1.00 0.00 N ATOM 708 CA GLY A 50 -5.604 0.689 5.321 1.00 0.00 C ATOM 709 C GLY A 50 -6.133 0.764 3.902 1.00 0.00 C ATOM 710 O GLY A 50 -7.339 0.665 3.676 1.00 0.00 O ATOM 0 H GLY A 50 -3.577 1.172 5.538 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.277 -0.329 5.530 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.410 0.915 6.019 1.00 0.00 H new ATOM 714 N ASP A 51 -5.229 0.939 2.944 1.00 0.00 N ATOM 715 CA ASP A 51 -5.611 1.027 1.540 1.00 0.00 C ATOM 716 C ASP A 51 -5.232 -0.248 0.792 1.00 0.00 C ATOM 717 O ASP A 51 -4.187 -0.844 1.052 1.00 0.00 O ATOM 718 CB ASP A 51 -4.943 2.236 0.882 1.00 0.00 C ATOM 719 CG ASP A 51 -5.736 2.767 -0.296 1.00 0.00 C ATOM 720 OD1 ASP A 51 -6.603 2.028 -0.808 1.00 0.00 O ATOM 721 OD2 ASP A 51 -5.491 3.921 -0.704 1.00 0.00 O ATOM 0 H ASP A 51 -4.227 1.023 3.115 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.693 1.148 1.491 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.823 3.028 1.621 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.944 1.958 0.547 1.00 0.00 H new ATOM 726 N ARG A 52 -6.090 -0.661 -0.135 1.00 0.00 N ATOM 727 CA ARG A 52 -5.847 -1.867 -0.917 1.00 0.00 C ATOM 728 C ARG A 52 -5.007 -1.553 -2.152 1.00 0.00 C ATOM 729 O ARG A 52 -5.123 -0.475 -2.736 1.00 0.00 O ATOM 730 CB ARG A 52 -7.173 -2.504 -1.337 1.00 0.00 C ATOM 731 CG ARG A 52 -7.006 -3.802 -2.110 1.00 0.00 C ATOM 732 CD ARG A 52 -6.678 -4.964 -1.185 1.00 0.00 C ATOM 733 NE ARG A 52 -6.739 -6.249 -1.876 1.00 0.00 N ATOM 734 CZ ARG A 52 -5.841 -6.646 -2.770 1.00 0.00 C ATOM 735 NH1 ARG A 52 -4.817 -5.861 -3.080 1.00 0.00 N ATOM 736 NH2 ARG A 52 -5.965 -7.829 -3.357 1.00 0.00 N ATOM 0 H ARG A 52 -6.959 -0.178 -0.363 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.296 -2.570 -0.293 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -7.773 -2.695 -0.447 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -7.729 -1.795 -1.950 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.922 -4.020 -2.659 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.212 -3.688 -2.848 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -5.681 -4.824 -0.767 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -7.376 -4.969 -0.348 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.514 -6.876 -1.660 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.718 -4.950 -2.631 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.129 -6.168 -3.767 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.751 -8.435 -3.122 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.274 -8.133 -4.044 1.00 0.00 H new ATOM 750 N ILE A 53 -4.163 -2.501 -2.544 1.00 0.00 N ATOM 751 CA ILE A 53 -3.305 -2.326 -3.709 1.00 0.00 C ATOM 752 C ILE A 53 -3.516 -3.447 -4.721 1.00 0.00 C ATOM 753 O ILE A 53 -3.140 -4.595 -4.478 1.00 0.00 O ATOM 754 CB ILE A 53 -1.818 -2.281 -3.312 1.00 0.00 C ATOM 755 CG1 ILE A 53 -1.566 -1.140 -2.323 1.00 0.00 C ATOM 756 CG2 ILE A 53 -0.944 -2.121 -4.547 1.00 0.00 C ATOM 757 CD1 ILE A 53 -0.341 -1.347 -1.461 1.00 0.00 C ATOM 0 H ILE A 53 -4.055 -3.399 -2.072 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.580 -1.374 -4.163 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.558 -3.222 -2.827 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.457 -0.207 -2.877 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.439 -1.029 -1.679 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.104 -2.091 -4.250 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.106 -2.964 -5.219 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.203 -1.194 -5.058 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.225 -0.500 -0.785 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.455 -2.262 -0.880 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.541 -1.428 -2.096 1.00 0.00 H new ATOM 769 N ILE A 54 -4.116 -3.108 -5.856 1.00 0.00 N ATOM 770 CA ILE A 54 -4.374 -4.085 -6.906 1.00 0.00 C ATOM 771 C ILE A 54 -3.161 -4.247 -7.816 1.00 0.00 C ATOM 772 O ILE A 54 -2.691 -5.361 -8.051 1.00 0.00 O ATOM 773 CB ILE A 54 -5.592 -3.687 -7.760 1.00 0.00 C ATOM 774 CG1 ILE A 54 -6.838 -3.559 -6.881 1.00 0.00 C ATOM 775 CG2 ILE A 54 -5.820 -4.707 -8.866 1.00 0.00 C ATOM 776 CD1 ILE A 54 -8.079 -3.156 -7.647 1.00 0.00 C ATOM 0 H ILE A 54 -4.433 -2.163 -6.072 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.583 -5.033 -6.410 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.394 -2.719 -8.221 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.021 -4.511 -6.383 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.648 -2.823 -6.100 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.684 -4.412 -9.461 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -4.938 -4.754 -9.505 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.001 -5.687 -8.425 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -8.923 -3.085 -6.961 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.915 -2.189 -8.123 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.294 -3.904 -8.410 1.00 0.00 H new ATOM 788 N LYS A 55 -2.656 -3.128 -8.325 1.00 0.00 N ATOM 789 CA LYS A 55 -1.495 -3.144 -9.207 1.00 0.00 C ATOM 790 C LYS A 55 -0.317 -2.415 -8.569 1.00 0.00 C ATOM 791 O LYS A 55 -0.501 -1.509 -7.757 1.00 0.00 O ATOM 792 CB LYS A 55 -1.841 -2.498 -10.550 1.00 0.00 C ATOM 793 CG LYS A 55 -0.989 -2.999 -11.704 1.00 0.00 C ATOM 794 CD LYS A 55 -1.605 -2.645 -13.047 1.00 0.00 C ATOM 795 CE LYS A 55 -1.348 -1.191 -13.412 1.00 0.00 C ATOM 796 NZ LYS A 55 -2.391 -0.286 -12.853 1.00 0.00 N ATOM 0 H LYS A 55 -3.033 -2.198 -8.142 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.210 -4.183 -9.373 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.890 -2.688 -10.775 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.723 -1.418 -10.465 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.009 -2.566 -11.635 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.873 -4.080 -11.629 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.193 -3.294 -13.820 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.679 -2.829 -13.016 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.369 -0.891 -13.039 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.321 -1.088 -14.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.857 0.227 -13.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.097 -0.848 -12.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.948 0.395 -12.204 1.00 0.00 H new ATOM 810 N VAL A 56 0.894 -2.817 -8.942 1.00 0.00 N ATOM 811 CA VAL A 56 2.102 -2.200 -8.408 1.00 0.00 C ATOM 812 C VAL A 56 3.140 -1.986 -9.503 1.00 0.00 C ATOM 813 O VAL A 56 3.640 -2.942 -10.095 1.00 0.00 O ATOM 814 CB VAL A 56 2.722 -3.058 -7.289 1.00 0.00 C ATOM 815 CG1 VAL A 56 4.085 -2.512 -6.891 1.00 0.00 C ATOM 816 CG2 VAL A 56 1.792 -3.119 -6.087 1.00 0.00 C ATOM 0 H VAL A 56 1.064 -3.567 -9.612 1.00 0.00 H new ATOM 0 HA VAL A 56 1.809 -1.234 -7.996 1.00 0.00 H new ATOM 0 HB VAL A 56 2.859 -4.072 -7.666 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.508 -3.131 -6.099 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.749 -2.525 -7.755 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.976 -1.488 -6.533 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.246 -3.729 -5.306 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.622 -2.112 -5.707 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.841 -3.560 -6.385 1.00 0.00 H new ATOM 826 N ASN A 57 3.461 -0.723 -9.768 1.00 0.00 N ATOM 827 CA ASN A 57 4.441 -0.383 -10.794 1.00 0.00 C ATOM 828 C ASN A 57 4.113 -1.079 -12.111 1.00 0.00 C ATOM 829 O ASN A 57 5.006 -1.547 -12.817 1.00 0.00 O ATOM 830 CB ASN A 57 5.847 -0.772 -10.334 1.00 0.00 C ATOM 831 CG ASN A 57 6.928 0.015 -11.051 1.00 0.00 C ATOM 832 OD1 ASN A 57 6.637 0.888 -11.868 1.00 0.00 O ATOM 833 ND2 ASN A 57 8.183 -0.293 -10.747 1.00 0.00 N ATOM 0 H ASN A 57 3.057 0.081 -9.287 1.00 0.00 H new ATOM 0 HA ASN A 57 4.404 0.694 -10.954 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.933 -0.608 -9.260 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.001 -1.837 -10.507 1.00 0.00 H new ATOM 0 HD21 ASN A 57 8.953 0.202 -11.197 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.377 -1.024 -10.063 1.00 0.00 H new ATOM 840 N GLY A 58 2.826 -1.142 -12.437 1.00 0.00 N ATOM 841 CA GLY A 58 2.403 -1.782 -13.669 1.00 0.00 C ATOM 842 C GLY A 58 2.451 -3.295 -13.583 1.00 0.00 C ATOM 843 O GLY A 58 2.538 -3.980 -14.602 1.00 0.00 O ATOM 0 H GLY A 58 2.068 -0.761 -11.870 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.387 -1.467 -13.908 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.042 -1.447 -14.486 1.00 0.00 H new ATOM 847 N THR A 59 2.396 -3.819 -12.362 1.00 0.00 N ATOM 848 CA THR A 59 2.437 -5.259 -12.147 1.00 0.00 C ATOM 849 C THR A 59 1.170 -5.748 -11.453 1.00 0.00 C ATOM 850 O THR A 59 0.773 -5.214 -10.418 1.00 0.00 O ATOM 851 CB THR A 59 3.660 -5.667 -11.303 1.00 0.00 C ATOM 852 OG1 THR A 59 4.820 -4.953 -11.746 1.00 0.00 O ATOM 853 CG2 THR A 59 3.910 -7.164 -11.401 1.00 0.00 C ATOM 0 H THR A 59 2.323 -3.267 -11.508 1.00 0.00 H new ATOM 0 HA THR A 59 2.512 -5.723 -13.131 1.00 0.00 H new ATOM 0 HB THR A 59 3.456 -5.417 -10.262 1.00 0.00 H new ATOM 0 HG1 THR A 59 4.837 -4.066 -11.330 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.778 -7.428 -10.797 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.036 -7.703 -11.036 1.00 0.00 H new ATOM 0 HG23 THR A 59 4.095 -7.435 -12.440 1.00 0.00 H new ATOM 861 N MET A 60 0.540 -6.766 -12.030 1.00 0.00 N ATOM 862 CA MET A 60 -0.682 -7.327 -11.465 1.00 0.00 C ATOM 863 C MET A 60 -0.370 -8.193 -10.249 1.00 0.00 C ATOM 864 O MET A 60 0.095 -9.325 -10.383 1.00 0.00 O ATOM 865 CB MET A 60 -1.423 -8.153 -12.518 1.00 0.00 C ATOM 866 CG MET A 60 -2.357 -7.330 -13.390 1.00 0.00 C ATOM 867 SD MET A 60 -3.699 -6.576 -12.450 1.00 0.00 S ATOM 868 CE MET A 60 -4.983 -7.810 -12.644 1.00 0.00 C ATOM 0 H MET A 60 0.855 -7.219 -12.888 1.00 0.00 H new ATOM 0 HA MET A 60 -1.319 -6.502 -11.147 1.00 0.00 H new ATOM 0 HB2 MET A 60 -0.693 -8.654 -13.154 1.00 0.00 H new ATOM 0 HB3 MET A 60 -1.999 -8.932 -12.018 1.00 0.00 H new ATOM 0 HG2 MET A 60 -1.786 -6.549 -13.891 1.00 0.00 H new ATOM 0 HG3 MET A 60 -2.777 -7.967 -14.168 1.00 0.00 H new ATOM 0 HE1 MET A 60 -5.881 -7.487 -12.117 1.00 0.00 H new ATOM 0 HE2 MET A 60 -5.210 -7.936 -13.703 1.00 0.00 H new ATOM 0 HE3 MET A 60 -4.641 -8.759 -12.231 1.00 0.00 H new ATOM 878 N VAL A 61 -0.630 -7.654 -9.062 1.00 0.00 N ATOM 879 CA VAL A 61 -0.378 -8.378 -7.822 1.00 0.00 C ATOM 880 C VAL A 61 -1.622 -8.409 -6.941 1.00 0.00 C ATOM 881 O VAL A 61 -1.975 -7.412 -6.310 1.00 0.00 O ATOM 882 CB VAL A 61 0.782 -7.748 -7.030 1.00 0.00 C ATOM 883 CG1 VAL A 61 2.058 -7.749 -7.859 1.00 0.00 C ATOM 884 CG2 VAL A 61 0.423 -6.336 -6.592 1.00 0.00 C ATOM 0 H VAL A 61 -1.015 -6.718 -8.933 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.107 -9.397 -8.100 1.00 0.00 H new ATOM 0 HB VAL A 61 0.957 -8.348 -6.137 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.867 -7.300 -7.283 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.323 -8.774 -8.118 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.900 -7.174 -8.771 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.254 -5.906 -6.033 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.220 -5.723 -7.470 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.463 -6.366 -5.958 1.00 0.00 H new ATOM 894 N THR A 62 -2.285 -9.561 -6.902 1.00 0.00 N ATOM 895 CA THR A 62 -3.491 -9.722 -6.099 1.00 0.00 C ATOM 896 C THR A 62 -3.430 -10.997 -5.266 1.00 0.00 C ATOM 897 O THR A 62 -3.905 -11.031 -4.131 1.00 0.00 O ATOM 898 CB THR A 62 -4.753 -9.759 -6.982 1.00 0.00 C ATOM 899 OG1 THR A 62 -4.557 -10.658 -8.079 1.00 0.00 O ATOM 900 CG2 THR A 62 -5.085 -8.372 -7.509 1.00 0.00 C ATOM 0 H THR A 62 -2.007 -10.396 -7.417 1.00 0.00 H new ATOM 0 HA THR A 62 -3.546 -8.859 -5.435 1.00 0.00 H new ATOM 0 HB THR A 62 -5.587 -10.107 -6.372 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.749 -11.574 -7.789 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.980 -8.423 -8.130 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.263 -7.697 -6.671 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.251 -8.000 -8.104 1.00 0.00 H new ATOM 908 N ASN A 63 -2.841 -12.043 -5.836 1.00 0.00 N ATOM 909 CA ASN A 63 -2.718 -13.321 -5.144 1.00 0.00 C ATOM 910 C ASN A 63 -1.255 -13.647 -4.860 1.00 0.00 C ATOM 911 O ASN A 63 -0.843 -14.806 -4.923 1.00 0.00 O ATOM 912 CB ASN A 63 -3.349 -14.439 -5.977 1.00 0.00 C ATOM 913 CG ASN A 63 -4.632 -14.000 -6.655 1.00 0.00 C ATOM 914 OD1 ASN A 63 -5.243 -13.004 -6.267 1.00 0.00 O ATOM 915 ND2 ASN A 63 -5.048 -14.744 -7.673 1.00 0.00 N ATOM 0 H ASN A 63 -2.442 -12.031 -6.774 1.00 0.00 H new ATOM 0 HA ASN A 63 -3.246 -13.243 -4.193 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -2.637 -14.772 -6.733 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -3.555 -15.295 -5.335 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -5.906 -14.498 -8.167 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -4.510 -15.561 -7.961 1.00 0.00 H new ATOM 922 N SER A 64 -0.474 -12.618 -4.547 1.00 0.00 N ATOM 923 CA SER A 64 0.944 -12.794 -4.257 1.00 0.00 C ATOM 924 C SER A 64 1.254 -12.409 -2.813 1.00 0.00 C ATOM 925 O SER A 64 0.477 -11.709 -2.165 1.00 0.00 O ATOM 926 CB SER A 64 1.790 -11.952 -5.214 1.00 0.00 C ATOM 927 OG SER A 64 3.070 -12.531 -5.406 1.00 0.00 O ATOM 0 H SER A 64 -0.800 -11.653 -4.488 1.00 0.00 H new ATOM 0 HA SER A 64 1.191 -13.847 -4.396 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.280 -11.863 -6.173 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.899 -10.943 -4.816 1.00 0.00 H new ATOM 0 HG SER A 64 3.591 -11.976 -6.023 1.00 0.00 H new ATOM 933 N SER A 65 2.397 -12.874 -2.317 1.00 0.00 N ATOM 934 CA SER A 65 2.810 -12.583 -0.949 1.00 0.00 C ATOM 935 C SER A 65 3.543 -11.247 -0.875 1.00 0.00 C ATOM 936 O SER A 65 4.354 -10.922 -1.744 1.00 0.00 O ATOM 937 CB SER A 65 3.708 -13.701 -0.416 1.00 0.00 C ATOM 938 OG SER A 65 4.853 -13.869 -1.235 1.00 0.00 O ATOM 0 H SER A 65 3.053 -13.453 -2.842 1.00 0.00 H new ATOM 0 HA SER A 65 1.914 -12.521 -0.331 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.017 -13.469 0.603 1.00 0.00 H new ATOM 0 HB3 SER A 65 3.146 -14.634 -0.374 1.00 0.00 H new ATOM 0 HG SER A 65 4.708 -14.618 -1.850 1.00 0.00 H new ATOM 944 N HIS A 66 3.252 -10.476 0.168 1.00 0.00 N ATOM 945 CA HIS A 66 3.884 -9.175 0.356 1.00 0.00 C ATOM 946 C HIS A 66 5.355 -9.221 -0.047 1.00 0.00 C ATOM 947 O HIS A 66 5.799 -8.456 -0.903 1.00 0.00 O ATOM 948 CB HIS A 66 3.756 -8.729 1.813 1.00 0.00 C ATOM 949 CG HIS A 66 4.685 -7.613 2.181 1.00 0.00 C ATOM 950 ND1 HIS A 66 5.427 -7.604 3.344 1.00 0.00 N ATOM 951 CD2 HIS A 66 4.991 -6.465 1.532 1.00 0.00 C ATOM 952 CE1 HIS A 66 6.148 -6.498 3.395 1.00 0.00 C ATOM 953 NE2 HIS A 66 5.902 -5.790 2.307 1.00 0.00 N ATOM 0 H HIS A 66 2.583 -10.729 0.895 1.00 0.00 H new ATOM 0 HA HIS A 66 3.373 -8.455 -0.283 1.00 0.00 H new ATOM 0 HB2 HIS A 66 2.730 -8.413 1.999 1.00 0.00 H new ATOM 0 HB3 HIS A 66 3.950 -9.582 2.464 1.00 0.00 H new ATOM 0 HD1 HIS A 66 5.420 -8.337 4.054 1.00 0.00 H new ATOM 0 HD2 HIS A 66 4.593 -6.140 0.582 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.823 -6.220 4.191 1.00 0.00 H new ATOM 962 N LEU A 67 6.105 -10.123 0.576 1.00 0.00 N ATOM 963 CA LEU A 67 7.527 -10.269 0.283 1.00 0.00 C ATOM 964 C LEU A 67 7.797 -10.089 -1.208 1.00 0.00 C ATOM 965 O LEU A 67 8.724 -9.381 -1.599 1.00 0.00 O ATOM 966 CB LEU A 67 8.024 -11.642 0.741 1.00 0.00 C ATOM 967 CG LEU A 67 9.498 -11.723 1.141 1.00 0.00 C ATOM 968 CD1 LEU A 67 9.717 -12.843 2.146 1.00 0.00 C ATOM 969 CD2 LEU A 67 10.373 -11.926 -0.087 1.00 0.00 C ATOM 0 H LEU A 67 5.753 -10.764 1.287 1.00 0.00 H new ATOM 0 HA LEU A 67 8.067 -9.494 0.827 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.420 -11.960 1.590 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.846 -12.357 -0.062 1.00 0.00 H new ATOM 0 HG LEU A 67 9.780 -10.781 1.611 1.00 0.00 H new ATOM 0 HD11 LEU A 67 10.771 -12.886 2.419 1.00 0.00 H new ATOM 0 HD12 LEU A 67 9.119 -12.654 3.037 1.00 0.00 H new ATOM 0 HD13 LEU A 67 9.418 -13.793 1.703 1.00 0.00 H new ATOM 0 HD21 LEU A 67 11.418 -11.981 0.216 1.00 0.00 H new ATOM 0 HD22 LEU A 67 10.090 -12.853 -0.586 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.238 -11.089 -0.772 1.00 0.00 H new ATOM 981 N GLU A 68 6.979 -10.734 -2.034 1.00 0.00 N ATOM 982 CA GLU A 68 7.130 -10.643 -3.482 1.00 0.00 C ATOM 983 C GLU A 68 6.855 -9.224 -3.969 1.00 0.00 C ATOM 984 O GLU A 68 7.649 -8.645 -4.710 1.00 0.00 O ATOM 985 CB GLU A 68 6.185 -11.625 -4.177 1.00 0.00 C ATOM 986 CG GLU A 68 6.769 -13.018 -4.343 1.00 0.00 C ATOM 987 CD GLU A 68 6.792 -13.800 -3.044 1.00 0.00 C ATOM 988 OE1 GLU A 68 7.332 -13.277 -2.047 1.00 0.00 O ATOM 989 OE2 GLU A 68 6.269 -14.934 -3.024 1.00 0.00 O ATOM 0 H GLU A 68 6.206 -11.324 -1.726 1.00 0.00 H new ATOM 0 HA GLU A 68 8.159 -10.901 -3.732 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.260 -11.694 -3.604 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.923 -11.231 -5.159 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.186 -13.567 -5.083 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.784 -12.938 -4.733 1.00 0.00 H new ATOM 996 N VAL A 69 5.723 -8.668 -3.548 1.00 0.00 N ATOM 997 CA VAL A 69 5.342 -7.317 -3.941 1.00 0.00 C ATOM 998 C VAL A 69 6.438 -6.315 -3.596 1.00 0.00 C ATOM 999 O VAL A 69 6.737 -5.412 -4.378 1.00 0.00 O ATOM 1000 CB VAL A 69 4.031 -6.883 -3.258 1.00 0.00 C ATOM 1001 CG1 VAL A 69 3.727 -5.424 -3.565 1.00 0.00 C ATOM 1002 CG2 VAL A 69 2.882 -7.779 -3.694 1.00 0.00 C ATOM 0 H VAL A 69 5.054 -9.133 -2.935 1.00 0.00 H new ATOM 0 HA VAL A 69 5.193 -7.331 -5.021 1.00 0.00 H new ATOM 0 HB VAL A 69 4.152 -6.985 -2.180 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.798 -5.135 -3.074 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.541 -4.798 -3.199 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.625 -5.292 -4.642 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.964 -7.458 -3.202 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.758 -7.711 -4.775 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.100 -8.811 -3.418 1.00 0.00 H new ATOM 1012 N VAL A 70 7.035 -6.480 -2.420 1.00 0.00 N ATOM 1013 CA VAL A 70 8.100 -5.591 -1.971 1.00 0.00 C ATOM 1014 C VAL A 70 9.060 -5.267 -3.109 1.00 0.00 C ATOM 1015 O VAL A 70 9.257 -4.102 -3.457 1.00 0.00 O ATOM 1016 CB VAL A 70 8.893 -6.210 -0.805 1.00 0.00 C ATOM 1017 CG1 VAL A 70 10.156 -5.407 -0.533 1.00 0.00 C ATOM 1018 CG2 VAL A 70 8.027 -6.295 0.443 1.00 0.00 C ATOM 0 H VAL A 70 6.799 -7.222 -1.761 1.00 0.00 H new ATOM 0 HA VAL A 70 7.623 -4.672 -1.629 1.00 0.00 H new ATOM 0 HB VAL A 70 9.187 -7.222 -1.085 1.00 0.00 H new ATOM 0 HG11 VAL A 70 10.704 -5.859 0.294 1.00 0.00 H new ATOM 0 HG12 VAL A 70 10.783 -5.403 -1.424 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.887 -4.383 -0.273 1.00 0.00 H new ATOM 0 HG21 VAL A 70 8.604 -6.735 1.257 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.701 -5.295 0.728 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.155 -6.916 0.239 1.00 0.00 H new ATOM 1028 N LYS A 71 9.656 -6.304 -3.687 1.00 0.00 N ATOM 1029 CA LYS A 71 10.596 -6.131 -4.788 1.00 0.00 C ATOM 1030 C LYS A 71 10.087 -5.089 -5.780 1.00 0.00 C ATOM 1031 O LYS A 71 10.831 -4.204 -6.202 1.00 0.00 O ATOM 1032 CB LYS A 71 10.825 -7.464 -5.505 1.00 0.00 C ATOM 1033 CG LYS A 71 11.646 -8.455 -4.699 1.00 0.00 C ATOM 1034 CD LYS A 71 11.662 -9.827 -5.351 1.00 0.00 C ATOM 1035 CE LYS A 71 10.446 -10.648 -4.952 1.00 0.00 C ATOM 1036 NZ LYS A 71 10.650 -11.345 -3.652 1.00 0.00 N ATOM 0 H LYS A 71 9.505 -7.274 -3.411 1.00 0.00 H new ATOM 0 HA LYS A 71 11.541 -5.781 -4.374 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.859 -7.911 -5.740 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.328 -7.275 -6.454 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.667 -8.087 -4.599 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.236 -8.534 -3.692 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.687 -9.716 -6.435 1.00 0.00 H new ATOM 0 HD3 LYS A 71 12.570 -10.357 -5.064 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.575 -9.997 -4.882 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.233 -11.383 -5.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 9.935 -12.093 -3.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.600 -11.768 -3.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 10.558 -10.662 -2.873 1.00 0.00 H new ATOM 1050 N LEU A 72 8.815 -5.200 -6.146 1.00 0.00 N ATOM 1051 CA LEU A 72 8.205 -4.267 -7.087 1.00 0.00 C ATOM 1052 C LEU A 72 8.303 -2.834 -6.573 1.00 0.00 C ATOM 1053 O LEU A 72 8.525 -1.901 -7.345 1.00 0.00 O ATOM 1054 CB LEU A 72 6.740 -4.636 -7.325 1.00 0.00 C ATOM 1055 CG LEU A 72 6.479 -6.057 -7.825 1.00 0.00 C ATOM 1056 CD1 LEU A 72 5.002 -6.401 -7.709 1.00 0.00 C ATOM 1057 CD2 LEU A 72 6.954 -6.213 -9.262 1.00 0.00 C ATOM 0 H LEU A 72 8.186 -5.927 -5.805 1.00 0.00 H new ATOM 0 HA LEU A 72 8.748 -4.334 -8.030 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.194 -4.494 -6.392 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.322 -3.935 -8.048 1.00 0.00 H new ATOM 0 HG LEU A 72 7.042 -6.750 -7.200 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.835 -7.416 -8.070 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.693 -6.331 -6.666 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.418 -5.703 -8.308 1.00 0.00 H new ATOM 0 HD21 LEU A 72 6.760 -7.231 -9.601 1.00 0.00 H new ATOM 0 HD22 LEU A 72 6.419 -5.510 -9.900 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.024 -6.010 -9.316 1.00 0.00 H new ATOM 1069 N ILE A 73 8.139 -2.668 -5.265 1.00 0.00 N ATOM 1070 CA ILE A 73 8.212 -1.349 -4.648 1.00 0.00 C ATOM 1071 C ILE A 73 9.642 -0.819 -4.651 1.00 0.00 C ATOM 1072 O ILE A 73 9.869 0.387 -4.748 1.00 0.00 O ATOM 1073 CB ILE A 73 7.690 -1.376 -3.199 1.00 0.00 C ATOM 1074 CG1 ILE A 73 6.203 -1.736 -3.176 1.00 0.00 C ATOM 1075 CG2 ILE A 73 7.926 -0.032 -2.526 1.00 0.00 C ATOM 1076 CD1 ILE A 73 5.685 -2.075 -1.796 1.00 0.00 C ATOM 0 H ILE A 73 7.955 -3.430 -4.612 1.00 0.00 H new ATOM 0 HA ILE A 73 7.581 -0.688 -5.241 1.00 0.00 H new ATOM 0 HB ILE A 73 8.238 -2.139 -2.645 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.629 -0.900 -3.576 1.00 0.00 H new ATOM 0 HG13 ILE A 73 6.033 -2.585 -3.838 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.552 -0.067 -1.503 1.00 0.00 H new ATOM 0 HG22 ILE A 73 8.994 0.187 -2.515 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.402 0.748 -3.078 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.625 -2.320 -1.855 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.233 -2.930 -1.401 1.00 0.00 H new ATOM 0 HD13 ILE A 73 5.823 -1.219 -1.135 1.00 0.00 H new ATOM 1088 N LYS A 74 10.605 -1.729 -4.547 1.00 0.00 N ATOM 1089 CA LYS A 74 12.014 -1.355 -4.541 1.00 0.00 C ATOM 1090 C LYS A 74 12.612 -1.468 -5.940 1.00 0.00 C ATOM 1091 O LYS A 74 13.634 -2.126 -6.137 1.00 0.00 O ATOM 1092 CB LYS A 74 12.794 -2.242 -3.569 1.00 0.00 C ATOM 1093 CG LYS A 74 12.173 -2.320 -2.185 1.00 0.00 C ATOM 1094 CD LYS A 74 13.162 -2.846 -1.158 1.00 0.00 C ATOM 1095 CE LYS A 74 14.044 -1.733 -0.613 1.00 0.00 C ATOM 1096 NZ LYS A 74 13.293 -0.825 0.297 1.00 0.00 N ATOM 0 H LYS A 74 10.435 -2.731 -4.466 1.00 0.00 H new ATOM 0 HA LYS A 74 12.088 -0.317 -4.215 1.00 0.00 H new ATOM 0 HB2 LYS A 74 12.864 -3.248 -3.984 1.00 0.00 H new ATOM 0 HB3 LYS A 74 13.812 -1.862 -3.481 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.827 -1.331 -1.885 1.00 0.00 H new ATOM 0 HG3 LYS A 74 11.298 -2.969 -2.214 1.00 0.00 H new ATOM 0 HD2 LYS A 74 12.620 -3.317 -0.338 1.00 0.00 H new ATOM 0 HD3 LYS A 74 13.785 -3.616 -1.613 1.00 0.00 H new ATOM 0 HE2 LYS A 74 14.888 -2.168 -0.077 1.00 0.00 H new ATOM 0 HE3 LYS A 74 14.456 -1.157 -1.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 13.964 -0.281 0.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 12.713 -0.171 -0.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 12.677 -1.388 0.918 1.00 0.00 H new ATOM 1110 N SER A 75 11.970 -0.820 -6.907 1.00 0.00 N ATOM 1111 CA SER A 75 12.438 -0.850 -8.288 1.00 0.00 C ATOM 1112 C SER A 75 12.031 0.421 -9.027 1.00 0.00 C ATOM 1113 O SER A 75 10.860 0.800 -9.035 1.00 0.00 O ATOM 1114 CB SER A 75 11.879 -2.076 -9.012 1.00 0.00 C ATOM 1115 OG SER A 75 12.299 -2.105 -10.365 1.00 0.00 O ATOM 0 H SER A 75 11.125 -0.268 -6.760 1.00 0.00 H new ATOM 0 HA SER A 75 13.526 -0.910 -8.276 1.00 0.00 H new ATOM 0 HB2 SER A 75 12.209 -2.983 -8.506 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.790 -2.064 -8.966 1.00 0.00 H new ATOM 0 HG SER A 75 11.930 -2.899 -10.805 1.00 0.00 H new ATOM 1121 N GLY A 76 13.007 1.076 -9.648 1.00 0.00 N ATOM 1122 CA GLY A 76 12.731 2.297 -10.382 1.00 0.00 C ATOM 1123 C GLY A 76 12.741 3.523 -9.491 1.00 0.00 C ATOM 1124 O GLY A 76 13.119 3.447 -8.322 1.00 0.00 O ATOM 0 H GLY A 76 13.984 0.783 -9.656 1.00 0.00 H new ATOM 0 HA2 GLY A 76 13.473 2.419 -11.171 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.759 2.213 -10.869 1.00 0.00 H new ATOM 1128 N ALA A 77 12.327 4.659 -10.044 1.00 0.00 N ATOM 1129 CA ALA A 77 12.290 5.906 -9.292 1.00 0.00 C ATOM 1130 C ALA A 77 10.958 6.070 -8.567 1.00 0.00 C ATOM 1131 O ALA A 77 10.897 6.656 -7.485 1.00 0.00 O ATOM 1132 CB ALA A 77 12.538 7.088 -10.217 1.00 0.00 C ATOM 0 H ALA A 77 12.013 4.740 -11.011 1.00 0.00 H new ATOM 0 HA ALA A 77 13.081 5.873 -8.543 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.507 8.013 -9.641 1.00 0.00 H new ATOM 0 HB2 ALA A 77 13.517 6.984 -10.686 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.768 7.115 -10.988 1.00 0.00 H new ATOM 1138 N TYR A 78 9.894 5.550 -9.168 1.00 0.00 N ATOM 1139 CA TYR A 78 8.563 5.642 -8.581 1.00 0.00 C ATOM 1140 C TYR A 78 7.792 4.339 -8.771 1.00 0.00 C ATOM 1141 O TYR A 78 8.167 3.496 -9.586 1.00 0.00 O ATOM 1142 CB TYR A 78 7.786 6.803 -9.205 1.00 0.00 C ATOM 1143 CG TYR A 78 8.088 7.015 -10.671 1.00 0.00 C ATOM 1144 CD1 TYR A 78 9.130 7.842 -11.074 1.00 0.00 C ATOM 1145 CD2 TYR A 78 7.333 6.387 -11.654 1.00 0.00 C ATOM 1146 CE1 TYR A 78 9.408 8.039 -12.412 1.00 0.00 C ATOM 1147 CE2 TYR A 78 7.606 6.577 -12.995 1.00 0.00 C ATOM 1148 CZ TYR A 78 8.644 7.404 -13.369 1.00 0.00 C ATOM 1149 OH TYR A 78 8.919 7.597 -14.703 1.00 0.00 O ATOM 0 H TYR A 78 9.927 5.060 -10.062 1.00 0.00 H new ATOM 0 HA TYR A 78 8.677 5.823 -7.512 1.00 0.00 H new ATOM 0 HB2 TYR A 78 6.718 6.620 -9.085 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.016 7.718 -8.659 1.00 0.00 H new ATOM 0 HD1 TYR A 78 9.732 8.339 -10.328 1.00 0.00 H new ATOM 0 HD2 TYR A 78 6.519 5.739 -11.365 1.00 0.00 H new ATOM 0 HE1 TYR A 78 10.220 8.687 -12.708 1.00 0.00 H new ATOM 0 HE2 TYR A 78 7.010 6.080 -13.746 1.00 0.00 H new ATOM 0 HH TYR A 78 8.289 7.077 -15.245 1.00 0.00 H new ATOM 1159 N VAL A 79 6.712 4.182 -8.012 1.00 0.00 N ATOM 1160 CA VAL A 79 5.886 2.984 -8.097 1.00 0.00 C ATOM 1161 C VAL A 79 4.415 3.341 -8.275 1.00 0.00 C ATOM 1162 O VAL A 79 3.822 4.009 -7.429 1.00 0.00 O ATOM 1163 CB VAL A 79 6.042 2.105 -6.842 1.00 0.00 C ATOM 1164 CG1 VAL A 79 5.605 2.866 -5.600 1.00 0.00 C ATOM 1165 CG2 VAL A 79 5.249 0.815 -6.994 1.00 0.00 C ATOM 0 H VAL A 79 6.389 4.870 -7.331 1.00 0.00 H new ATOM 0 HA VAL A 79 6.228 2.425 -8.968 1.00 0.00 H new ATOM 0 HB VAL A 79 7.095 1.846 -6.729 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.722 2.229 -4.723 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.220 3.759 -5.485 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.559 3.156 -5.700 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.370 0.206 -6.098 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.194 1.051 -7.132 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.614 0.263 -7.860 1.00 0.00 H new ATOM 1175 N ALA A 80 3.832 2.892 -9.381 1.00 0.00 N ATOM 1176 CA ALA A 80 2.429 3.163 -9.669 1.00 0.00 C ATOM 1177 C ALA A 80 1.522 2.147 -8.983 1.00 0.00 C ATOM 1178 O ALA A 80 1.489 0.975 -9.358 1.00 0.00 O ATOM 1179 CB ALA A 80 2.188 3.158 -11.172 1.00 0.00 C ATOM 0 H ALA A 80 4.309 2.339 -10.093 1.00 0.00 H new ATOM 0 HA ALA A 80 2.187 4.151 -9.276 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.136 3.362 -11.373 1.00 0.00 H new ATOM 0 HB2 ALA A 80 2.802 3.926 -11.642 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.453 2.182 -11.580 1.00 0.00 H new ATOM 1185 N LEU A 81 0.787 2.604 -7.975 1.00 0.00 N ATOM 1186 CA LEU A 81 -0.121 1.734 -7.234 1.00 0.00 C ATOM 1187 C LEU A 81 -1.575 2.077 -7.542 1.00 0.00 C ATOM 1188 O LEU A 81 -1.915 3.237 -7.776 1.00 0.00 O ATOM 1189 CB LEU A 81 0.137 1.856 -5.731 1.00 0.00 C ATOM 1190 CG LEU A 81 1.593 1.715 -5.286 1.00 0.00 C ATOM 1191 CD1 LEU A 81 1.845 2.524 -4.023 1.00 0.00 C ATOM 1192 CD2 LEU A 81 1.943 0.251 -5.064 1.00 0.00 C ATOM 0 H LEU A 81 0.802 3.571 -7.652 1.00 0.00 H new ATOM 0 HA LEU A 81 0.064 0.706 -7.545 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.232 2.826 -5.397 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.454 1.097 -5.219 1.00 0.00 H new ATOM 0 HG LEU A 81 2.235 2.105 -6.076 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.886 2.412 -3.721 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.635 3.576 -4.217 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.195 2.165 -3.225 1.00 0.00 H new ATOM 0 HD21 LEU A 81 2.983 0.169 -4.748 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.295 -0.165 -4.292 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.802 -0.302 -5.993 1.00 0.00 H new ATOM 1204 N THR A 82 -2.431 1.060 -7.538 1.00 0.00 N ATOM 1205 CA THR A 82 -3.849 1.253 -7.816 1.00 0.00 C ATOM 1206 C THR A 82 -4.684 1.084 -6.552 1.00 0.00 C ATOM 1207 O THR A 82 -5.033 -0.035 -6.172 1.00 0.00 O ATOM 1208 CB THR A 82 -4.351 0.266 -8.886 1.00 0.00 C ATOM 1209 OG1 THR A 82 -3.716 0.538 -10.140 1.00 0.00 O ATOM 1210 CG2 THR A 82 -5.861 0.362 -9.045 1.00 0.00 C ATOM 0 H THR A 82 -2.167 0.094 -7.345 1.00 0.00 H new ATOM 0 HA THR A 82 -3.963 2.270 -8.190 1.00 0.00 H new ATOM 0 HB THR A 82 -4.099 -0.744 -8.563 1.00 0.00 H new ATOM 0 HG1 THR A 82 -4.151 0.017 -10.847 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.192 -0.344 -9.806 1.00 0.00 H new ATOM 0 HG22 THR A 82 -6.343 0.125 -8.096 1.00 0.00 H new ATOM 0 HG23 THR A 82 -6.131 1.374 -9.347 1.00 0.00 H new ATOM 1218 N LEU A 83 -5.003 2.199 -5.906 1.00 0.00 N ATOM 1219 CA LEU A 83 -5.800 2.175 -4.684 1.00 0.00 C ATOM 1220 C LEU A 83 -7.291 2.176 -5.006 1.00 0.00 C ATOM 1221 O LEU A 83 -7.792 3.081 -5.674 1.00 0.00 O ATOM 1222 CB LEU A 83 -5.456 3.377 -3.803 1.00 0.00 C ATOM 1223 CG LEU A 83 -3.969 3.607 -3.532 1.00 0.00 C ATOM 1224 CD1 LEU A 83 -3.736 5.008 -2.988 1.00 0.00 C ATOM 1225 CD2 LEU A 83 -3.435 2.561 -2.564 1.00 0.00 C ATOM 0 H LEU A 83 -4.722 3.132 -6.208 1.00 0.00 H new ATOM 0 HA LEU A 83 -5.564 1.258 -4.144 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -5.862 4.273 -4.271 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.965 3.258 -2.846 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.429 3.511 -4.474 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.672 5.153 -2.801 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -4.080 5.743 -3.716 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -4.288 5.133 -2.057 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.375 2.740 -2.383 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -3.980 2.625 -1.622 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.567 1.568 -2.993 1.00 0.00 H new ATOM 1237 N LEU A 84 -7.995 1.157 -4.525 1.00 0.00 N ATOM 1238 CA LEU A 84 -9.430 1.041 -4.760 1.00 0.00 C ATOM 1239 C LEU A 84 -10.208 1.178 -3.455 1.00 0.00 C ATOM 1240 O LEU A 84 -9.914 0.501 -2.471 1.00 0.00 O ATOM 1241 CB LEU A 84 -9.752 -0.301 -5.420 1.00 0.00 C ATOM 1242 CG LEU A 84 -11.163 -0.446 -5.992 1.00 0.00 C ATOM 1243 CD1 LEU A 84 -11.187 -1.496 -7.092 1.00 0.00 C ATOM 1244 CD2 LEU A 84 -12.151 -0.802 -4.891 1.00 0.00 C ATOM 0 H LEU A 84 -7.596 0.400 -3.970 1.00 0.00 H new ATOM 0 HA LEU A 84 -9.730 1.849 -5.428 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -9.036 -0.468 -6.225 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -9.596 -1.091 -4.685 1.00 0.00 H new ATOM 0 HG LEU A 84 -11.460 0.510 -6.423 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -12.199 -1.586 -7.487 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -10.510 -1.200 -7.893 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -10.870 -2.456 -6.685 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -13.150 -0.901 -5.316 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -11.858 -1.745 -4.430 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -12.154 -0.015 -4.137 1.00 0.00 H new