USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 425 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 CYS SG : rot -42:sc= -0.559 USER MOD Single : A 11 GLN : amide:sc= 0.113 X(o=0.11,f=-0.055) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0348 USER MOD Single : A 16 TYR OH : rot 15:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 ASN : amide:sc= -0.312 K(o=-0.31,f=-1.3) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 136:sc= -3.21! USER MOD Single : A 53 MET CE :methyl 140:sc= -0.0302 (180deg=-1.98!) USER MOD Single : A 56 SER OG : rot 171:sc= 0.176 USER MOD Single : A 57 ASN : amide:sc= -0.0156 X(o=-0.016,f=-0.0059) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ARG A 8 -7.600 -5.883 0.736 1.00 0.00 N ATOM 67 CA ARG A 8 -6.577 -5.914 1.767 1.00 0.00 C ATOM 68 C ARG A 8 -6.188 -4.491 2.171 1.00 0.00 C ATOM 69 O ARG A 8 -6.423 -3.543 1.423 1.00 0.00 O ATOM 70 CB ARG A 8 -5.330 -6.658 1.283 1.00 0.00 C ATOM 71 CG ARG A 8 -5.396 -8.140 1.660 1.00 0.00 C ATOM 72 CD ARG A 8 -4.191 -8.542 2.513 1.00 0.00 C ATOM 73 NE ARG A 8 -4.546 -9.687 3.381 1.00 0.00 N ATOM 74 CZ ARG A 8 -3.656 -10.401 4.083 1.00 0.00 C ATOM 75 NH1 ARG A 8 -2.353 -10.093 4.025 1.00 0.00 N ATOM 76 NH2 ARG A 8 -4.069 -11.424 4.845 1.00 0.00 N ATOM 0 HA ARG A 8 -6.989 -6.440 2.628 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -5.239 -6.558 0.201 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -4.440 -6.207 1.721 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -6.317 -8.339 2.208 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -5.425 -8.748 0.756 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -3.352 -8.809 1.870 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -3.869 -7.698 3.123 1.00 0.00 H new ATOM 0 HE ARG A 8 -5.529 -9.949 3.449 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -2.038 -9.314 3.446 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -1.676 -10.637 4.560 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -5.061 -11.658 4.890 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -3.392 -11.968 5.380 1.00 0.00 H new ATOM 90 N ARG A 9 -5.600 -4.385 3.354 1.00 0.00 N ATOM 91 CA ARG A 9 -5.176 -3.094 3.866 1.00 0.00 C ATOM 92 C ARG A 9 -3.796 -3.207 4.517 1.00 0.00 C ATOM 93 O ARG A 9 -3.469 -4.232 5.114 1.00 0.00 O ATOM 94 CB ARG A 9 -6.173 -2.555 4.894 1.00 0.00 C ATOM 95 CG ARG A 9 -7.059 -1.468 4.281 1.00 0.00 C ATOM 96 CD ARG A 9 -8.026 -0.897 5.320 1.00 0.00 C ATOM 97 NE ARG A 9 -8.521 0.426 4.879 1.00 0.00 N ATOM 98 CZ ARG A 9 -9.361 1.189 5.591 1.00 0.00 C ATOM 99 NH1 ARG A 9 -9.805 0.766 6.782 1.00 0.00 N ATOM 100 NH2 ARG A 9 -9.757 2.376 5.111 1.00 0.00 N ATOM 0 H ARG A 9 -5.407 -5.173 3.972 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.129 -2.404 3.024 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -6.795 -3.370 5.265 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -5.634 -2.150 5.751 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -6.435 -0.668 3.881 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.622 -1.882 3.444 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -8.864 -1.579 5.462 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -7.524 -0.804 6.283 1.00 0.00 H new ATOM 0 HE ARG A 9 -8.203 0.779 3.977 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -9.503 -0.137 7.147 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -10.445 1.347 7.324 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -9.419 2.698 4.204 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -10.397 2.957 5.653 1.00 0.00 H new ATOM 114 N CYS A 10 -3.022 -2.140 4.379 1.00 0.00 N ATOM 115 CA CYS A 10 -1.685 -2.108 4.946 1.00 0.00 C ATOM 116 C CYS A 10 -1.476 -0.744 5.607 1.00 0.00 C ATOM 117 O CYS A 10 -2.164 0.221 5.277 1.00 0.00 O ATOM 118 CB CYS A 10 -0.616 -2.400 3.891 1.00 0.00 C ATOM 119 SG CYS A 10 -0.697 -1.152 2.555 1.00 0.00 S ATOM 0 H CYS A 10 -3.296 -1.292 3.883 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.586 -2.893 5.696 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.372 -2.389 4.350 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.764 -3.398 3.477 1.00 0.00 H new ATOM 0 HG CYS A 10 -1.940 -0.925 2.248 1.00 0.00 H new ATOM 125 N GLN A 11 -0.524 -0.707 6.528 1.00 0.00 N ATOM 126 CA GLN A 11 -0.217 0.523 7.238 1.00 0.00 C ATOM 127 C GLN A 11 1.179 1.021 6.856 1.00 0.00 C ATOM 128 O GLN A 11 2.175 0.594 7.439 1.00 0.00 O ATOM 129 CB GLN A 11 -0.334 0.327 8.750 1.00 0.00 C ATOM 130 CG GLN A 11 -0.258 1.667 9.484 1.00 0.00 C ATOM 131 CD GLN A 11 -1.400 1.806 10.492 1.00 0.00 C ATOM 132 OE1 GLN A 11 -1.685 0.914 11.274 1.00 0.00 O ATOM 133 NE2 GLN A 11 -2.037 2.972 10.430 1.00 0.00 N ATOM 0 H GLN A 11 0.045 -1.509 6.799 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.945 1.280 6.946 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.277 -0.167 8.984 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.464 -0.328 9.098 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.699 1.749 10.000 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.303 2.483 8.763 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.747 3.676 9.751 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.815 3.162 11.061 1.00 0.00 H new ATOM 142 N VAL A 12 1.207 1.917 5.881 1.00 0.00 N ATOM 143 CA VAL A 12 2.464 2.477 5.415 1.00 0.00 C ATOM 144 C VAL A 12 3.366 2.764 6.617 1.00 0.00 C ATOM 145 O VAL A 12 3.133 3.717 7.359 1.00 0.00 O ATOM 146 CB VAL A 12 2.198 3.716 4.558 1.00 0.00 C ATOM 147 CG1 VAL A 12 3.498 4.466 4.260 1.00 0.00 C ATOM 148 CG2 VAL A 12 1.472 3.343 3.264 1.00 0.00 C ATOM 0 H VAL A 12 0.379 2.269 5.401 1.00 0.00 H new ATOM 0 HA VAL A 12 2.988 1.764 4.779 1.00 0.00 H new ATOM 0 HB VAL A 12 1.549 4.382 5.126 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.281 5.342 3.649 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.959 4.781 5.196 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.182 3.809 3.722 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.295 4.242 2.674 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.085 2.647 2.691 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.518 2.874 3.504 1.00 0.00 H new ATOM 158 N ALA A 13 4.377 1.922 6.772 1.00 0.00 N ATOM 159 CA ALA A 13 5.315 2.072 7.871 1.00 0.00 C ATOM 160 C ALA A 13 6.454 2.998 7.440 1.00 0.00 C ATOM 161 O ALA A 13 7.173 3.536 8.280 1.00 0.00 O ATOM 162 CB ALA A 13 5.817 0.694 8.307 1.00 0.00 C ATOM 0 H ALA A 13 4.567 1.133 6.154 1.00 0.00 H new ATOM 0 HA ALA A 13 4.827 2.528 8.732 1.00 0.00 H new ATOM 0 HB1 ALA A 13 6.521 0.807 9.132 1.00 0.00 H new ATOM 0 HB2 ALA A 13 4.973 0.085 8.631 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.315 0.206 7.469 1.00 0.00 H new ATOM 168 N PHE A 14 6.583 3.155 6.131 1.00 0.00 N ATOM 169 CA PHE A 14 7.623 4.007 5.578 1.00 0.00 C ATOM 170 C PHE A 14 7.056 4.937 4.504 1.00 0.00 C ATOM 171 O PHE A 14 6.296 4.503 3.640 1.00 0.00 O ATOM 172 CB PHE A 14 8.664 3.085 4.939 1.00 0.00 C ATOM 173 CG PHE A 14 9.046 1.883 5.806 1.00 0.00 C ATOM 174 CD1 PHE A 14 8.221 0.803 5.873 1.00 0.00 C ATOM 175 CD2 PHE A 14 10.209 1.894 6.510 1.00 0.00 C ATOM 176 CE1 PHE A 14 8.576 -0.312 6.677 1.00 0.00 C ATOM 177 CE2 PHE A 14 10.564 0.779 7.314 1.00 0.00 C ATOM 178 CZ PHE A 14 9.739 -0.301 7.381 1.00 0.00 C ATOM 0 H PHE A 14 5.985 2.707 5.437 1.00 0.00 H new ATOM 0 HA PHE A 14 8.055 4.625 6.365 1.00 0.00 H new ATOM 0 HB2 PHE A 14 8.278 2.724 3.985 1.00 0.00 H new ATOM 0 HB3 PHE A 14 9.562 3.663 4.722 1.00 0.00 H new ATOM 0 HD1 PHE A 14 7.296 0.794 5.315 1.00 0.00 H new ATOM 0 HD2 PHE A 14 10.863 2.752 6.458 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.922 -1.170 6.729 1.00 0.00 H new ATOM 0 HE2 PHE A 14 11.489 0.788 7.872 1.00 0.00 H new ATOM 0 HZ PHE A 14 10.008 -1.149 7.993 1.00 0.00 H new ATOM 188 N SER A 15 7.448 6.200 4.593 1.00 0.00 N ATOM 189 CA SER A 15 6.988 7.195 3.640 1.00 0.00 C ATOM 190 C SER A 15 7.748 7.046 2.320 1.00 0.00 C ATOM 191 O SER A 15 8.976 6.982 2.311 1.00 0.00 O ATOM 192 CB SER A 15 7.161 8.611 4.195 1.00 0.00 C ATOM 193 OG SER A 15 8.387 8.759 4.907 1.00 0.00 O ATOM 0 H SER A 15 8.079 6.556 5.311 1.00 0.00 H new ATOM 0 HA SER A 15 5.925 7.031 3.461 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.129 9.328 3.375 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.327 8.846 4.856 1.00 0.00 H new ATOM 0 HG SER A 15 8.461 9.676 5.244 1.00 0.00 H new ATOM 199 N TYR A 16 6.986 6.995 1.238 1.00 0.00 N ATOM 200 CA TYR A 16 7.572 6.855 -0.084 1.00 0.00 C ATOM 201 C TYR A 16 7.118 7.987 -1.008 1.00 0.00 C ATOM 202 O TYR A 16 5.974 8.433 -0.933 1.00 0.00 O ATOM 203 CB TYR A 16 7.055 5.524 -0.635 1.00 0.00 C ATOM 204 CG TYR A 16 7.482 5.240 -2.077 1.00 0.00 C ATOM 205 CD1 TYR A 16 8.665 4.576 -2.328 1.00 0.00 C ATOM 206 CD2 TYR A 16 6.683 5.649 -3.126 1.00 0.00 C ATOM 207 CE1 TYR A 16 9.066 4.309 -3.685 1.00 0.00 C ATOM 208 CE2 TYR A 16 7.084 5.382 -4.483 1.00 0.00 C ATOM 209 CZ TYR A 16 8.256 4.725 -4.695 1.00 0.00 C ATOM 210 OH TYR A 16 8.635 4.472 -5.977 1.00 0.00 O ATOM 0 H TYR A 16 5.967 7.048 1.250 1.00 0.00 H new ATOM 0 HA TYR A 16 8.660 6.890 -0.027 1.00 0.00 H new ATOM 0 HB2 TYR A 16 7.410 4.715 0.004 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.966 5.518 -0.581 1.00 0.00 H new ATOM 0 HD1 TYR A 16 9.290 4.257 -1.507 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.757 6.169 -2.929 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.989 3.790 -3.896 1.00 0.00 H new ATOM 0 HE2 TYR A 16 6.469 5.696 -5.313 1.00 0.00 H new ATOM 0 HH TYR A 16 9.351 3.802 -5.980 1.00 0.00 H new ATOM 220 N LEU A 17 8.037 8.418 -1.859 1.00 0.00 N ATOM 221 CA LEU A 17 7.746 9.489 -2.796 1.00 0.00 C ATOM 222 C LEU A 17 7.727 8.925 -4.218 1.00 0.00 C ATOM 223 O LEU A 17 8.683 8.280 -4.647 1.00 0.00 O ATOM 224 CB LEU A 17 8.726 10.649 -2.607 1.00 0.00 C ATOM 225 CG LEU A 17 8.696 11.336 -1.240 1.00 0.00 C ATOM 226 CD1 LEU A 17 9.192 12.779 -1.342 1.00 0.00 C ATOM 227 CD2 LEU A 17 7.302 11.251 -0.614 1.00 0.00 C ATOM 0 H LEU A 17 8.984 8.045 -1.919 1.00 0.00 H new ATOM 0 HA LEU A 17 6.757 9.905 -2.604 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.736 10.278 -2.783 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.524 11.398 -3.373 1.00 0.00 H new ATOM 0 HG LEU A 17 9.379 10.807 -0.576 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.161 13.245 -0.357 1.00 0.00 H new ATOM 0 HD12 LEU A 17 10.216 12.786 -1.715 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.553 13.336 -2.027 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.308 11.747 0.357 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.579 11.741 -1.267 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.024 10.205 -0.485 1.00 0.00 H new ATOM 239 N PRO A 18 6.600 9.196 -4.930 1.00 0.00 N ATOM 240 CA PRO A 18 6.445 8.723 -6.295 1.00 0.00 C ATOM 241 C PRO A 18 7.295 9.550 -7.262 1.00 0.00 C ATOM 242 O PRO A 18 7.051 10.741 -7.445 1.00 0.00 O ATOM 243 CB PRO A 18 4.955 8.823 -6.579 1.00 0.00 C ATOM 244 CG PRO A 18 4.396 9.779 -5.537 1.00 0.00 C ATOM 245 CD PRO A 18 5.448 9.957 -4.455 1.00 0.00 C ATOM 0 HA PRO A 18 6.794 7.699 -6.428 1.00 0.00 H new ATOM 0 HB2 PRO A 18 4.774 9.195 -7.587 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.477 7.846 -6.509 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.151 10.739 -5.992 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.474 9.383 -5.111 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.698 11.009 -4.315 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.095 9.583 -3.494 1.00 0.00 H new ATOM 253 N GLN A 19 8.275 8.884 -7.855 1.00 0.00 N ATOM 254 CA GLN A 19 9.163 9.542 -8.798 1.00 0.00 C ATOM 255 C GLN A 19 8.406 9.899 -10.079 1.00 0.00 C ATOM 256 O GLN A 19 8.953 10.553 -10.966 1.00 0.00 O ATOM 257 CB GLN A 19 10.381 8.669 -9.106 1.00 0.00 C ATOM 258 CG GLN A 19 11.076 8.224 -7.818 1.00 0.00 C ATOM 259 CD GLN A 19 12.512 8.751 -7.760 1.00 0.00 C ATOM 260 OE1 GLN A 19 12.823 9.706 -7.068 1.00 0.00 O ATOM 261 NE2 GLN A 19 13.366 8.077 -8.525 1.00 0.00 N ATOM 0 H GLN A 19 8.474 7.895 -7.701 1.00 0.00 H new ATOM 0 HA GLN A 19 9.525 10.464 -8.343 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.071 7.794 -9.677 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.082 9.224 -9.729 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.517 8.586 -6.955 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.082 7.136 -7.761 1.00 0.00 H new ATOM 0 HE21 GLN A 19 13.039 7.286 -9.080 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.348 8.351 -8.557 1.00 0.00 H new ATOM 270 N ASN A 20 7.159 9.453 -10.135 1.00 0.00 N ATOM 271 CA ASN A 20 6.322 9.717 -11.293 1.00 0.00 C ATOM 272 C ASN A 20 4.912 10.083 -10.824 1.00 0.00 C ATOM 273 O ASN A 20 4.586 9.931 -9.648 1.00 0.00 O ATOM 274 CB ASN A 20 6.216 8.482 -12.190 1.00 0.00 C ATOM 275 CG ASN A 20 7.592 8.068 -12.716 1.00 0.00 C ATOM 276 OD1 ASN A 20 8.463 8.886 -12.962 1.00 0.00 O ATOM 277 ND2 ASN A 20 7.737 6.755 -12.875 1.00 0.00 N ATOM 0 H ASN A 20 6.709 8.911 -9.398 1.00 0.00 H new ATOM 0 HA ASN A 20 6.774 10.534 -11.856 1.00 0.00 H new ATOM 0 HB2 ASN A 20 5.774 7.658 -11.630 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.551 8.692 -13.027 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.619 6.378 -13.222 1.00 0.00 H new ATOM 0 HD22 ASN A 20 6.966 6.126 -12.650 1.00 0.00 H new ATOM 284 N ASP A 21 4.114 10.558 -11.769 1.00 0.00 N ATOM 285 CA ASP A 21 2.746 10.946 -11.467 1.00 0.00 C ATOM 286 C ASP A 21 1.818 9.753 -11.705 1.00 0.00 C ATOM 287 O ASP A 21 0.622 9.929 -11.933 1.00 0.00 O ATOM 288 CB ASP A 21 2.286 12.091 -12.372 1.00 0.00 C ATOM 289 CG ASP A 21 1.734 13.314 -11.638 1.00 0.00 C ATOM 290 OD1 ASP A 21 0.515 13.307 -11.362 1.00 0.00 O ATOM 291 OD2 ASP A 21 2.543 14.228 -11.369 1.00 0.00 O ATOM 0 H ASP A 21 4.388 10.683 -12.744 1.00 0.00 H new ATOM 0 HA ASP A 21 2.709 11.271 -10.427 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.127 12.406 -12.990 1.00 0.00 H new ATOM 0 HB3 ASP A 21 1.518 11.714 -13.047 1.00 0.00 H new ATOM 296 N ASP A 22 2.403 8.567 -11.643 1.00 0.00 N ATOM 297 CA ASP A 22 1.643 7.345 -11.848 1.00 0.00 C ATOM 298 C ASP A 22 1.888 6.394 -10.675 1.00 0.00 C ATOM 299 O ASP A 22 1.409 5.261 -10.680 1.00 0.00 O ATOM 300 CB ASP A 22 2.079 6.635 -13.132 1.00 0.00 C ATOM 301 CG ASP A 22 3.560 6.785 -13.483 1.00 0.00 C ATOM 302 OD1 ASP A 22 4.380 6.192 -12.749 1.00 0.00 O ATOM 303 OD2 ASP A 22 3.839 7.488 -14.477 1.00 0.00 O ATOM 0 H ASP A 22 3.395 8.425 -11.454 1.00 0.00 H new ATOM 0 HA ASP A 22 0.589 7.612 -11.923 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.849 5.574 -13.038 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.484 7.018 -13.961 1.00 0.00 H new ATOM 308 N GLU A 23 2.633 6.890 -9.698 1.00 0.00 N ATOM 309 CA GLU A 23 2.947 6.098 -8.521 1.00 0.00 C ATOM 310 C GLU A 23 2.113 6.569 -7.327 1.00 0.00 C ATOM 311 O GLU A 23 1.358 7.534 -7.435 1.00 0.00 O ATOM 312 CB GLU A 23 4.443 6.158 -8.203 1.00 0.00 C ATOM 313 CG GLU A 23 5.213 5.093 -8.987 1.00 0.00 C ATOM 314 CD GLU A 23 6.048 4.219 -8.049 1.00 0.00 C ATOM 315 OE1 GLU A 23 5.543 3.930 -6.943 1.00 0.00 O ATOM 316 OE2 GLU A 23 7.173 3.861 -8.459 1.00 0.00 O ATOM 0 H GLU A 23 3.028 7.830 -9.697 1.00 0.00 H new ATOM 0 HA GLU A 23 2.695 5.058 -8.728 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.831 7.147 -8.448 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.598 6.011 -7.134 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.514 4.470 -9.544 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.864 5.574 -9.718 1.00 0.00 H new ATOM 323 N LEU A 24 2.279 5.865 -6.217 1.00 0.00 N ATOM 324 CA LEU A 24 1.551 6.199 -5.004 1.00 0.00 C ATOM 325 C LEU A 24 2.513 6.824 -3.993 1.00 0.00 C ATOM 326 O LEU A 24 3.698 6.495 -3.972 1.00 0.00 O ATOM 327 CB LEU A 24 0.810 4.972 -4.470 1.00 0.00 C ATOM 328 CG LEU A 24 -0.576 4.713 -5.065 1.00 0.00 C ATOM 329 CD1 LEU A 24 -1.335 3.663 -4.251 1.00 0.00 C ATOM 330 CD2 LEU A 24 -1.367 6.016 -5.200 1.00 0.00 C ATOM 0 H LEU A 24 2.906 5.065 -6.132 1.00 0.00 H new ATOM 0 HA LEU A 24 0.781 6.942 -5.214 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.429 4.093 -4.647 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.706 5.077 -3.390 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.447 4.310 -6.069 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.317 3.498 -4.695 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.775 2.728 -4.251 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.455 4.014 -3.226 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.348 5.804 -5.625 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.488 6.471 -4.217 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.829 6.702 -5.854 1.00 0.00 H new ATOM 342 N GLU A 25 1.968 7.716 -3.178 1.00 0.00 N ATOM 343 CA GLU A 25 2.763 8.391 -2.167 1.00 0.00 C ATOM 344 C GLU A 25 2.479 7.798 -0.785 1.00 0.00 C ATOM 345 O GLU A 25 1.469 8.122 -0.162 1.00 0.00 O ATOM 346 CB GLU A 25 2.503 9.898 -2.180 1.00 0.00 C ATOM 347 CG GLU A 25 3.323 10.606 -1.100 1.00 0.00 C ATOM 348 CD GLU A 25 2.940 12.084 -1.001 1.00 0.00 C ATOM 349 OE1 GLU A 25 1.728 12.347 -0.849 1.00 0.00 O ATOM 350 OE2 GLU A 25 3.868 12.918 -1.079 1.00 0.00 O ATOM 0 H GLU A 25 0.985 7.987 -3.198 1.00 0.00 H new ATOM 0 HA GLU A 25 3.817 8.236 -2.399 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.756 10.306 -3.159 1.00 0.00 H new ATOM 0 HB3 GLU A 25 1.442 10.089 -2.019 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.161 10.120 -0.138 1.00 0.00 H new ATOM 0 HG3 GLU A 25 4.385 10.516 -1.328 1.00 0.00 H new ATOM 357 N LEU A 26 3.387 6.939 -0.347 1.00 0.00 N ATOM 358 CA LEU A 26 3.247 6.298 0.949 1.00 0.00 C ATOM 359 C LEU A 26 3.582 7.305 2.051 1.00 0.00 C ATOM 360 O LEU A 26 4.627 7.952 2.009 1.00 0.00 O ATOM 361 CB LEU A 26 4.087 5.020 1.009 1.00 0.00 C ATOM 362 CG LEU A 26 3.997 4.101 -0.211 1.00 0.00 C ATOM 363 CD1 LEU A 26 5.022 2.969 -0.121 1.00 0.00 C ATOM 364 CD2 LEU A 26 2.573 3.571 -0.394 1.00 0.00 C ATOM 0 H LEU A 26 4.223 6.672 -0.867 1.00 0.00 H new ATOM 0 HA LEU A 26 2.216 5.982 1.107 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.130 5.301 1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.787 4.452 1.890 1.00 0.00 H new ATOM 0 HG LEU A 26 4.240 4.686 -1.098 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.937 2.330 -1.000 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.026 3.390 -0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.834 2.379 0.776 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.536 2.921 -1.268 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.278 3.007 0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.889 4.408 -0.536 1.00 0.00 H new ATOM 376 N LYS A 27 2.674 7.407 3.011 1.00 0.00 N ATOM 377 CA LYS A 27 2.860 8.326 4.122 1.00 0.00 C ATOM 378 C LYS A 27 2.663 7.572 5.439 1.00 0.00 C ATOM 379 O LYS A 27 1.579 7.058 5.707 1.00 0.00 O ATOM 380 CB LYS A 27 1.948 9.544 3.968 1.00 0.00 C ATOM 381 CG LYS A 27 2.745 10.772 3.523 1.00 0.00 C ATOM 382 CD LYS A 27 2.105 12.060 4.047 1.00 0.00 C ATOM 383 CE LYS A 27 1.853 13.050 2.907 1.00 0.00 C ATOM 384 NZ LYS A 27 0.514 13.666 3.043 1.00 0.00 N ATOM 0 H LYS A 27 1.808 6.869 3.043 1.00 0.00 H new ATOM 0 HA LYS A 27 3.877 8.718 4.127 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.167 9.329 3.238 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.450 9.752 4.915 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.770 10.697 3.887 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.795 10.803 2.435 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.164 11.826 4.545 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.756 12.516 4.793 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.619 13.825 2.915 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.928 12.537 1.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.359 14.335 2.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.214 12.924 3.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.455 14.172 3.949 1.00 0.00 H new ATOM 398 N VAL A 28 3.728 7.531 6.225 1.00 0.00 N ATOM 399 CA VAL A 28 3.686 6.850 7.508 1.00 0.00 C ATOM 400 C VAL A 28 2.296 7.017 8.124 1.00 0.00 C ATOM 401 O VAL A 28 1.907 8.123 8.496 1.00 0.00 O ATOM 402 CB VAL A 28 4.807 7.366 8.412 1.00 0.00 C ATOM 403 CG1 VAL A 28 4.749 6.703 9.790 1.00 0.00 C ATOM 404 CG2 VAL A 28 6.176 7.160 7.761 1.00 0.00 C ATOM 0 H VAL A 28 4.626 7.958 5.998 1.00 0.00 H new ATOM 0 HA VAL A 28 3.858 5.781 7.379 1.00 0.00 H new ATOM 0 HB VAL A 28 4.660 8.437 8.549 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.557 7.087 10.413 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.791 6.925 10.260 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.858 5.624 9.680 1.00 0.00 H new ATOM 0 HG21 VAL A 28 6.955 7.536 8.425 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.336 6.097 7.579 1.00 0.00 H new ATOM 0 HG23 VAL A 28 6.214 7.700 6.815 1.00 0.00 H new ATOM 414 N GLY A 29 1.584 5.903 8.213 1.00 0.00 N ATOM 415 CA GLY A 29 0.245 5.913 8.777 1.00 0.00 C ATOM 416 C GLY A 29 -0.806 5.633 7.701 1.00 0.00 C ATOM 417 O GLY A 29 -1.807 4.968 7.964 1.00 0.00 O ATOM 0 H GLY A 29 1.909 4.987 7.904 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.173 5.163 9.565 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.049 6.880 9.239 1.00 0.00 H new ATOM 421 N ASP A 30 -0.542 6.154 6.512 1.00 0.00 N ATOM 422 CA ASP A 30 -1.452 5.969 5.395 1.00 0.00 C ATOM 423 C ASP A 30 -1.889 4.504 5.336 1.00 0.00 C ATOM 424 O ASP A 30 -1.104 3.606 5.635 1.00 0.00 O ATOM 425 CB ASP A 30 -0.773 6.314 4.068 1.00 0.00 C ATOM 426 CG ASP A 30 -0.605 7.810 3.797 1.00 0.00 C ATOM 427 OD1 ASP A 30 -0.480 8.556 4.791 1.00 0.00 O ATOM 428 OD2 ASP A 30 -0.605 8.173 2.601 1.00 0.00 O ATOM 0 H ASP A 30 0.290 6.704 6.298 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.307 6.628 5.544 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.210 5.844 4.047 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.353 5.876 3.256 1.00 0.00 H new ATOM 433 N ILE A 31 -3.141 4.308 4.948 1.00 0.00 N ATOM 434 CA ILE A 31 -3.692 2.968 4.847 1.00 0.00 C ATOM 435 C ILE A 31 -4.097 2.696 3.397 1.00 0.00 C ATOM 436 O ILE A 31 -5.110 3.211 2.925 1.00 0.00 O ATOM 437 CB ILE A 31 -4.832 2.779 5.850 1.00 0.00 C ATOM 438 CG1 ILE A 31 -4.370 3.103 7.272 1.00 0.00 C ATOM 439 CG2 ILE A 31 -5.426 1.373 5.746 1.00 0.00 C ATOM 440 CD1 ILE A 31 -5.495 2.866 8.281 1.00 0.00 C ATOM 0 H ILE A 31 -3.789 5.055 4.700 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.939 2.226 5.113 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.626 3.483 5.602 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.510 2.484 7.529 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.043 4.141 7.324 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -6.234 1.265 6.469 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -5.816 1.216 4.740 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.652 0.635 5.954 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.140 3.104 9.284 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -6.344 3.504 8.036 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.803 1.821 8.243 1.00 0.00 H new ATOM 452 N ILE A 32 -3.286 1.889 2.730 1.00 0.00 N ATOM 453 CA ILE A 32 -3.547 1.543 1.343 1.00 0.00 C ATOM 454 C ILE A 32 -4.415 0.284 1.291 1.00 0.00 C ATOM 455 O ILE A 32 -4.096 -0.721 1.925 1.00 0.00 O ATOM 456 CB ILE A 32 -2.236 1.419 0.565 1.00 0.00 C ATOM 457 CG1 ILE A 32 -1.801 2.774 0.004 1.00 0.00 C ATOM 458 CG2 ILE A 32 -2.346 0.354 -0.528 1.00 0.00 C ATOM 459 CD1 ILE A 32 -0.286 2.955 0.121 1.00 0.00 C ATOM 0 H ILE A 32 -2.447 1.464 3.124 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.108 2.338 0.851 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.458 1.092 1.255 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.101 2.852 -1.041 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.309 3.574 0.542 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.401 0.286 -1.066 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.576 -0.610 -0.075 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.140 0.627 -1.223 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.003 3.926 -0.285 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.007 2.901 1.169 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.219 2.167 -0.438 1.00 0.00 H new ATOM 471 N GLU A 33 -5.495 0.379 0.529 1.00 0.00 N ATOM 472 CA GLU A 33 -6.411 -0.740 0.386 1.00 0.00 C ATOM 473 C GLU A 33 -5.903 -1.707 -0.686 1.00 0.00 C ATOM 474 O GLU A 33 -6.454 -1.766 -1.784 1.00 0.00 O ATOM 475 CB GLU A 33 -7.824 -0.253 0.060 1.00 0.00 C ATOM 476 CG GLU A 33 -8.813 -0.675 1.149 1.00 0.00 C ATOM 477 CD GLU A 33 -10.195 -0.954 0.555 1.00 0.00 C ATOM 478 OE1 GLU A 33 -10.231 -1.466 -0.584 1.00 0.00 O ATOM 479 OE2 GLU A 33 -11.186 -0.650 1.255 1.00 0.00 O ATOM 0 H GLU A 33 -5.756 1.214 0.004 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.456 -1.272 1.336 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.825 0.833 -0.037 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.140 -0.659 -0.901 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.444 -1.567 1.655 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.888 0.110 1.901 1.00 0.00 H new ATOM 486 N VAL A 34 -4.860 -2.441 -0.329 1.00 0.00 N ATOM 487 CA VAL A 34 -4.272 -3.403 -1.246 1.00 0.00 C ATOM 488 C VAL A 34 -5.386 -4.101 -2.029 1.00 0.00 C ATOM 489 O VAL A 34 -6.159 -4.872 -1.462 1.00 0.00 O ATOM 490 CB VAL A 34 -3.379 -4.380 -0.479 1.00 0.00 C ATOM 491 CG1 VAL A 34 -2.825 -5.462 -1.408 1.00 0.00 C ATOM 492 CG2 VAL A 34 -2.247 -3.640 0.237 1.00 0.00 C ATOM 0 H VAL A 34 -4.406 -2.389 0.583 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.632 -2.898 -1.970 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.991 -4.870 0.278 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.194 -6.143 -0.837 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.651 -6.018 -1.852 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.235 -4.996 -2.198 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.627 -4.357 0.775 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.638 -3.111 -0.496 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.669 -2.924 0.943 1.00 0.00 H new ATOM 502 N VAL A 35 -5.434 -3.805 -3.320 1.00 0.00 N ATOM 503 CA VAL A 35 -6.440 -4.394 -4.186 1.00 0.00 C ATOM 504 C VAL A 35 -5.834 -5.589 -4.925 1.00 0.00 C ATOM 505 O VAL A 35 -6.459 -6.644 -5.024 1.00 0.00 O ATOM 506 CB VAL A 35 -7.005 -3.331 -5.130 1.00 0.00 C ATOM 507 CG1 VAL A 35 -7.596 -2.158 -4.345 1.00 0.00 C ATOM 508 CG2 VAL A 35 -5.938 -2.850 -6.115 1.00 0.00 C ATOM 0 H VAL A 35 -4.792 -3.165 -3.787 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.279 -4.767 -3.599 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.810 -3.788 -5.705 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.991 -1.417 -5.040 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.400 -2.518 -3.703 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.819 -1.702 -3.731 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.366 -2.095 -6.775 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.102 -2.419 -5.564 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.585 -3.693 -6.709 1.00 0.00 H new ATOM 518 N GLY A 36 -4.624 -5.384 -5.425 1.00 0.00 N ATOM 519 CA GLY A 36 -3.927 -6.431 -6.152 1.00 0.00 C ATOM 520 C GLY A 36 -2.412 -6.297 -5.988 1.00 0.00 C ATOM 521 O GLY A 36 -1.940 -5.567 -5.117 1.00 0.00 O ATOM 0 H GLY A 36 -4.109 -4.508 -5.341 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.251 -7.407 -5.790 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.188 -6.380 -7.209 1.00 0.00 H new ATOM 525 N GLU A 37 -1.691 -7.012 -6.839 1.00 0.00 N ATOM 526 CA GLU A 37 -0.239 -6.982 -6.800 1.00 0.00 C ATOM 527 C GLU A 37 0.324 -6.720 -8.198 1.00 0.00 C ATOM 528 O GLU A 37 -0.075 -7.369 -9.164 1.00 0.00 O ATOM 529 CB GLU A 37 0.321 -8.281 -6.217 1.00 0.00 C ATOM 530 CG GLU A 37 1.825 -8.394 -6.474 1.00 0.00 C ATOM 531 CD GLU A 37 2.122 -9.460 -7.531 1.00 0.00 C ATOM 532 OE1 GLU A 37 1.681 -9.255 -8.683 1.00 0.00 O ATOM 533 OE2 GLU A 37 2.783 -10.455 -7.164 1.00 0.00 O ATOM 0 H GLU A 37 -2.086 -7.616 -7.560 1.00 0.00 H new ATOM 0 HA GLU A 37 0.071 -6.167 -6.146 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.128 -8.315 -5.145 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.192 -9.134 -6.661 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.215 -7.431 -6.804 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.338 -8.644 -5.546 1.00 0.00 H new ATOM 540 N VAL A 38 1.244 -5.768 -8.262 1.00 0.00 N ATOM 541 CA VAL A 38 1.866 -5.412 -9.526 1.00 0.00 C ATOM 542 C VAL A 38 2.939 -6.448 -9.870 1.00 0.00 C ATOM 543 O VAL A 38 2.804 -7.186 -10.845 1.00 0.00 O ATOM 544 CB VAL A 38 2.413 -3.985 -9.457 1.00 0.00 C ATOM 545 CG1 VAL A 38 2.866 -3.504 -10.837 1.00 0.00 C ATOM 546 CG2 VAL A 38 1.380 -3.031 -8.855 1.00 0.00 C ATOM 0 H VAL A 38 1.573 -5.232 -7.459 1.00 0.00 H new ATOM 0 HA VAL A 38 1.131 -5.425 -10.331 1.00 0.00 H new ATOM 0 HB VAL A 38 3.285 -3.991 -8.802 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.250 -2.487 -10.760 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.651 -4.161 -11.212 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.020 -3.521 -11.524 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.794 -2.023 -8.817 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.481 -3.031 -9.472 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.128 -3.358 -7.846 1.00 0.00 H new ATOM 556 N GLU A 39 3.980 -6.469 -9.051 1.00 0.00 N ATOM 557 CA GLU A 39 5.075 -7.401 -9.256 1.00 0.00 C ATOM 558 C GLU A 39 5.775 -7.699 -7.928 1.00 0.00 C ATOM 559 O GLU A 39 5.475 -7.076 -6.911 1.00 0.00 O ATOM 560 CB GLU A 39 6.067 -6.863 -10.290 1.00 0.00 C ATOM 561 CG GLU A 39 6.798 -5.629 -9.757 1.00 0.00 C ATOM 562 CD GLU A 39 8.051 -5.335 -10.585 1.00 0.00 C ATOM 563 OE1 GLU A 39 8.867 -6.270 -10.731 1.00 0.00 O ATOM 564 OE2 GLU A 39 8.165 -4.181 -11.052 1.00 0.00 O ATOM 0 H GLU A 39 4.088 -5.855 -8.244 1.00 0.00 H new ATOM 0 HA GLU A 39 4.665 -8.333 -9.645 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.791 -7.638 -10.543 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.538 -6.609 -11.209 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.131 -4.767 -9.782 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.075 -5.788 -8.715 1.00 0.00 H new ATOM 571 N GLU A 40 6.694 -8.652 -7.981 1.00 0.00 N ATOM 572 CA GLU A 40 7.439 -9.040 -6.796 1.00 0.00 C ATOM 573 C GLU A 40 8.036 -7.806 -6.116 1.00 0.00 C ATOM 574 O GLU A 40 8.883 -7.125 -6.693 1.00 0.00 O ATOM 575 CB GLU A 40 8.528 -10.057 -7.141 1.00 0.00 C ATOM 576 CG GLU A 40 8.982 -10.819 -5.894 1.00 0.00 C ATOM 577 CD GLU A 40 10.505 -10.773 -5.747 1.00 0.00 C ATOM 578 OE1 GLU A 40 11.172 -11.475 -6.537 1.00 0.00 O ATOM 579 OE2 GLU A 40 10.966 -10.037 -4.849 1.00 0.00 O ATOM 0 H GLU A 40 6.939 -9.167 -8.827 1.00 0.00 H new ATOM 0 HA GLU A 40 6.751 -9.517 -6.099 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.152 -10.760 -7.884 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.380 -9.545 -7.589 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.515 -10.387 -5.009 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.650 -11.855 -5.956 1.00 0.00 H new ATOM 586 N GLY A 41 7.572 -7.555 -4.901 1.00 0.00 N ATOM 587 CA GLY A 41 8.050 -6.415 -4.137 1.00 0.00 C ATOM 588 C GLY A 41 7.206 -5.171 -4.424 1.00 0.00 C ATOM 589 O GLY A 41 7.399 -4.129 -3.800 1.00 0.00 O ATOM 0 H GLY A 41 6.869 -8.122 -4.426 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.015 -6.645 -3.072 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.093 -6.217 -4.386 1.00 0.00 H new ATOM 593 N TRP A 42 6.288 -5.322 -5.367 1.00 0.00 N ATOM 594 CA TRP A 42 5.415 -4.224 -5.744 1.00 0.00 C ATOM 595 C TRP A 42 3.970 -4.721 -5.666 1.00 0.00 C ATOM 596 O TRP A 42 3.637 -5.762 -6.229 1.00 0.00 O ATOM 597 CB TRP A 42 5.785 -3.677 -7.124 1.00 0.00 C ATOM 598 CG TRP A 42 7.115 -2.922 -7.158 1.00 0.00 C ATOM 599 CD1 TRP A 42 8.352 -3.433 -7.239 1.00 0.00 C ATOM 600 CD2 TRP A 42 7.294 -1.491 -7.108 1.00 0.00 C ATOM 601 NE1 TRP A 42 9.310 -2.440 -7.245 1.00 0.00 N ATOM 602 CE2 TRP A 42 8.646 -1.222 -7.163 1.00 0.00 C ATOM 603 CE3 TRP A 42 6.344 -0.458 -7.019 1.00 0.00 C ATOM 604 CZ2 TRP A 42 9.171 0.076 -7.135 1.00 0.00 C ATOM 605 CZ3 TRP A 42 6.885 0.833 -6.993 1.00 0.00 C ATOM 606 CH2 TRP A 42 8.244 1.121 -7.047 1.00 0.00 C ATOM 0 H TRP A 42 6.130 -6.189 -5.881 1.00 0.00 H new ATOM 0 HA TRP A 42 5.533 -3.385 -5.058 1.00 0.00 H new ATOM 0 HB2 TRP A 42 5.831 -4.505 -7.831 1.00 0.00 H new ATOM 0 HB3 TRP A 42 4.992 -3.011 -7.464 1.00 0.00 H new ATOM 0 HD1 TRP A 42 8.571 -4.489 -7.293 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.320 -2.575 -7.300 1.00 0.00 H new ATOM 0 HE3 TRP A 42 5.281 -0.646 -6.974 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 10.234 0.261 -7.179 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 6.198 1.664 -6.926 1.00 0.00 H new ATOM 0 HH2 TRP A 42 8.583 2.146 -7.021 1.00 0.00 H new ATOM 617 N TRP A 43 3.150 -3.953 -4.963 1.00 0.00 N ATOM 618 CA TRP A 43 1.749 -4.302 -4.804 1.00 0.00 C ATOM 619 C TRP A 43 0.909 -3.173 -5.404 1.00 0.00 C ATOM 620 O TRP A 43 1.413 -2.075 -5.636 1.00 0.00 O ATOM 621 CB TRP A 43 1.416 -4.580 -3.336 1.00 0.00 C ATOM 622 CG TRP A 43 1.927 -5.929 -2.827 1.00 0.00 C ATOM 623 CD1 TRP A 43 2.492 -6.917 -3.533 1.00 0.00 C ATOM 624 CD2 TRP A 43 1.896 -6.400 -1.463 1.00 0.00 C ATOM 625 NE1 TRP A 43 2.827 -7.987 -2.728 1.00 0.00 N ATOM 626 CE2 TRP A 43 2.453 -7.662 -1.429 1.00 0.00 C ATOM 627 CE3 TRP A 43 1.414 -5.780 -0.297 1.00 0.00 C ATOM 628 CZ2 TRP A 43 2.580 -8.413 -0.254 1.00 0.00 C ATOM 629 CZ3 TRP A 43 1.548 -6.543 0.869 1.00 0.00 C ATOM 630 CH2 TRP A 43 2.106 -7.816 0.920 1.00 0.00 C ATOM 0 H TRP A 43 3.430 -3.090 -4.497 1.00 0.00 H new ATOM 0 HA TRP A 43 1.519 -5.226 -5.334 1.00 0.00 H new ATOM 0 HB2 TRP A 43 1.841 -3.787 -2.721 1.00 0.00 H new ATOM 0 HB3 TRP A 43 0.335 -4.540 -3.205 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.664 -6.881 -4.599 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.268 -8.856 -3.030 1.00 0.00 H new ATOM 0 HE3 TRP A 43 0.975 -4.793 -0.301 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 3.020 -9.399 -0.254 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 1.193 -6.113 1.794 1.00 0.00 H new ATOM 0 HH2 TRP A 43 2.173 -8.341 1.861 1.00 0.00 H new ATOM 641 N GLU A 44 -0.358 -3.481 -5.638 1.00 0.00 N ATOM 642 CA GLU A 44 -1.273 -2.506 -6.207 1.00 0.00 C ATOM 643 C GLU A 44 -2.440 -2.253 -5.252 1.00 0.00 C ATOM 644 O GLU A 44 -3.187 -3.173 -4.922 1.00 0.00 O ATOM 645 CB GLU A 44 -1.775 -2.961 -7.579 1.00 0.00 C ATOM 646 CG GLU A 44 -2.288 -1.773 -8.396 1.00 0.00 C ATOM 647 CD GLU A 44 -2.224 -2.071 -9.896 1.00 0.00 C ATOM 648 OE1 GLU A 44 -2.635 -3.190 -10.270 1.00 0.00 O ATOM 649 OE2 GLU A 44 -1.765 -1.172 -10.634 1.00 0.00 O ATOM 0 H GLU A 44 -0.773 -4.392 -5.444 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.734 -1.569 -6.347 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.969 -3.457 -8.119 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.573 -3.693 -7.454 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -3.315 -1.547 -8.110 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.692 -0.888 -8.172 1.00 0.00 H new ATOM 656 N GLY A 45 -2.561 -1.001 -4.834 1.00 0.00 N ATOM 657 CA GLY A 45 -3.626 -0.616 -3.923 1.00 0.00 C ATOM 658 C GLY A 45 -4.074 0.824 -4.182 1.00 0.00 C ATOM 659 O GLY A 45 -3.741 1.406 -5.213 1.00 0.00 O ATOM 0 H GLY A 45 -1.939 -0.241 -5.109 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.473 -1.291 -4.042 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.282 -0.714 -2.893 1.00 0.00 H new ATOM 663 N VAL A 46 -4.823 1.357 -3.228 1.00 0.00 N ATOM 664 CA VAL A 46 -5.321 2.717 -3.340 1.00 0.00 C ATOM 665 C VAL A 46 -4.776 3.552 -2.179 1.00 0.00 C ATOM 666 O VAL A 46 -4.290 3.004 -1.190 1.00 0.00 O ATOM 667 CB VAL A 46 -6.849 2.712 -3.406 1.00 0.00 C ATOM 668 CG1 VAL A 46 -7.422 4.063 -2.973 1.00 0.00 C ATOM 669 CG2 VAL A 46 -7.336 2.333 -4.805 1.00 0.00 C ATOM 0 H VAL A 46 -5.097 0.871 -2.374 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.971 3.176 -4.264 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.211 1.956 -2.709 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.510 4.032 -3.029 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.118 4.276 -1.948 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -7.047 4.846 -3.633 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.426 2.337 -4.824 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.958 3.054 -5.530 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.972 1.338 -5.060 1.00 0.00 H new ATOM 679 N LEU A 47 -4.874 4.864 -2.338 1.00 0.00 N ATOM 680 CA LEU A 47 -4.397 5.779 -1.315 1.00 0.00 C ATOM 681 C LEU A 47 -5.298 7.015 -1.283 1.00 0.00 C ATOM 682 O LEU A 47 -5.025 8.005 -1.960 1.00 0.00 O ATOM 683 CB LEU A 47 -2.917 6.102 -1.534 1.00 0.00 C ATOM 684 CG LEU A 47 -2.311 7.141 -0.588 1.00 0.00 C ATOM 685 CD1 LEU A 47 -2.342 6.649 0.860 1.00 0.00 C ATOM 686 CD2 LEU A 47 -0.899 7.528 -1.032 1.00 0.00 C ATOM 0 H LEU A 47 -5.277 5.315 -3.160 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.456 5.315 -0.330 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.346 5.178 -1.441 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.790 6.454 -2.558 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.922 8.043 -0.634 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.905 7.406 1.511 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.374 6.464 1.159 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.769 5.725 0.943 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.491 8.268 -0.343 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.263 6.643 -1.033 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.936 7.950 -2.037 1.00 0.00 H new ATOM 698 N ASN A 48 -6.354 6.918 -0.488 1.00 0.00 N ATOM 699 CA ASN A 48 -7.297 8.015 -0.359 1.00 0.00 C ATOM 700 C ASN A 48 -7.957 8.278 -1.714 1.00 0.00 C ATOM 701 O ASN A 48 -8.194 9.427 -2.081 1.00 0.00 O ATOM 702 CB ASN A 48 -6.590 9.300 0.079 1.00 0.00 C ATOM 703 CG ASN A 48 -6.621 9.451 1.601 1.00 0.00 C ATOM 704 OD1 ASN A 48 -7.643 9.744 2.201 1.00 0.00 O ATOM 705 ND2 ASN A 48 -5.448 9.236 2.190 1.00 0.00 N ATOM 0 H ASN A 48 -6.577 6.096 0.073 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.037 7.736 0.391 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -5.557 9.287 -0.268 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -7.071 10.161 -0.385 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -5.365 9.313 3.204 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -4.632 8.994 1.628 1.00 0.00 H new ATOM 712 N GLY A 49 -8.236 7.192 -2.420 1.00 0.00 N ATOM 713 CA GLY A 49 -8.864 7.290 -3.727 1.00 0.00 C ATOM 714 C GLY A 49 -7.824 7.188 -4.844 1.00 0.00 C ATOM 715 O GLY A 49 -8.145 6.782 -5.960 1.00 0.00 O ATOM 0 H GLY A 49 -8.039 6.240 -2.112 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -9.603 6.497 -3.840 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.398 8.237 -3.808 1.00 0.00 H new ATOM 719 N LYS A 50 -6.600 7.565 -4.506 1.00 0.00 N ATOM 720 CA LYS A 50 -5.511 7.521 -5.467 1.00 0.00 C ATOM 721 C LYS A 50 -5.072 6.070 -5.668 1.00 0.00 C ATOM 722 O LYS A 50 -5.236 5.239 -4.777 1.00 0.00 O ATOM 723 CB LYS A 50 -4.377 8.453 -5.034 1.00 0.00 C ATOM 724 CG LYS A 50 -3.717 9.114 -6.246 1.00 0.00 C ATOM 725 CD LYS A 50 -2.192 9.072 -6.131 1.00 0.00 C ATOM 726 CE LYS A 50 -1.627 10.459 -5.819 1.00 0.00 C ATOM 727 NZ LYS A 50 -1.900 10.825 -4.411 1.00 0.00 N ATOM 0 H LYS A 50 -6.338 7.902 -3.580 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.843 7.890 -6.437 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.767 9.220 -4.365 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.632 7.889 -4.473 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -4.031 8.605 -7.158 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.051 10.148 -6.327 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.902 8.373 -5.347 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -1.764 8.702 -7.063 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.553 10.470 -6.002 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.072 11.198 -6.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.510 11.769 -4.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.927 10.834 -4.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.455 10.129 -3.779 1.00 0.00 H new ATOM 741 N THR A 51 -4.522 5.809 -6.845 1.00 0.00 N ATOM 742 CA THR A 51 -4.058 4.472 -7.175 1.00 0.00 C ATOM 743 C THR A 51 -2.660 4.530 -7.794 1.00 0.00 C ATOM 744 O THR A 51 -2.275 5.545 -8.372 1.00 0.00 O ATOM 745 CB THR A 51 -5.100 3.822 -8.087 1.00 0.00 C ATOM 746 OG1 THR A 51 -5.983 3.158 -7.187 1.00 0.00 O ATOM 747 CG2 THR A 51 -4.512 2.692 -8.935 1.00 0.00 C ATOM 0 H THR A 51 -4.387 6.501 -7.582 1.00 0.00 H new ATOM 0 HA THR A 51 -3.958 3.856 -6.281 1.00 0.00 H new ATOM 0 HB THR A 51 -5.533 4.579 -8.741 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.910 3.323 -7.457 1.00 0.00 H new ATOM 0 HG21 THR A 51 -5.293 2.265 -9.564 1.00 0.00 H new ATOM 0 HG22 THR A 51 -3.715 3.087 -9.565 1.00 0.00 H new ATOM 0 HG23 THR A 51 -4.109 1.918 -8.281 1.00 0.00 H new ATOM 755 N GLY A 52 -1.939 3.428 -7.651 1.00 0.00 N ATOM 756 CA GLY A 52 -0.592 3.341 -8.189 1.00 0.00 C ATOM 757 C GLY A 52 0.170 2.166 -7.572 1.00 0.00 C ATOM 758 O GLY A 52 -0.254 1.609 -6.561 1.00 0.00 O ATOM 0 H GLY A 52 -2.262 2.588 -7.171 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.636 3.222 -9.272 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.057 4.270 -7.992 1.00 0.00 H new ATOM 762 N MET A 53 1.282 1.824 -8.207 1.00 0.00 N ATOM 763 CA MET A 53 2.107 0.726 -7.733 1.00 0.00 C ATOM 764 C MET A 53 3.057 1.191 -6.628 1.00 0.00 C ATOM 765 O MET A 53 3.724 2.216 -6.769 1.00 0.00 O ATOM 766 CB MET A 53 2.918 0.157 -8.898 1.00 0.00 C ATOM 767 CG MET A 53 3.687 1.263 -9.623 1.00 0.00 C ATOM 768 SD MET A 53 5.410 0.818 -9.761 1.00 0.00 S ATOM 769 CE MET A 53 5.287 -0.550 -10.901 1.00 0.00 C ATOM 0 H MET A 53 1.631 2.288 -9.046 1.00 0.00 H new ATOM 0 HA MET A 53 1.453 -0.044 -7.323 1.00 0.00 H new ATOM 0 HB2 MET A 53 3.616 -0.593 -8.527 1.00 0.00 H new ATOM 0 HB3 MET A 53 2.251 -0.346 -9.598 1.00 0.00 H new ATOM 0 HG2 MET A 53 3.263 1.422 -10.615 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.588 2.203 -9.080 1.00 0.00 H new ATOM 0 HE1 MET A 53 6.110 -0.505 -11.614 1.00 0.00 H new ATOM 0 HE2 MET A 53 5.336 -1.489 -10.349 1.00 0.00 H new ATOM 0 HE3 MET A 53 4.339 -0.493 -11.437 1.00 0.00 H new ATOM 779 N PHE A 54 3.089 0.417 -5.554 1.00 0.00 N ATOM 780 CA PHE A 54 3.948 0.737 -4.426 1.00 0.00 C ATOM 781 C PHE A 54 4.690 -0.507 -3.931 1.00 0.00 C ATOM 782 O PHE A 54 4.245 -1.631 -4.157 1.00 0.00 O ATOM 783 CB PHE A 54 3.041 1.253 -3.306 1.00 0.00 C ATOM 784 CG PHE A 54 2.238 0.158 -2.601 1.00 0.00 C ATOM 785 CD1 PHE A 54 2.869 -0.733 -1.791 1.00 0.00 C ATOM 786 CD2 PHE A 54 0.893 0.076 -2.784 1.00 0.00 C ATOM 787 CE1 PHE A 54 2.124 -1.749 -1.136 1.00 0.00 C ATOM 788 CE2 PHE A 54 0.148 -0.940 -2.130 1.00 0.00 C ATOM 789 CZ PHE A 54 0.779 -1.831 -1.319 1.00 0.00 C ATOM 0 H PHE A 54 2.534 -0.431 -5.440 1.00 0.00 H new ATOM 0 HA PHE A 54 4.691 1.477 -4.723 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.652 1.773 -2.568 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.349 1.986 -3.721 1.00 0.00 H new ATOM 0 HD1 PHE A 54 3.937 -0.668 -1.646 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.391 0.784 -3.427 1.00 0.00 H new ATOM 0 HE1 PHE A 54 2.626 -2.457 -0.492 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.920 -1.005 -2.276 1.00 0.00 H new ATOM 0 HZ PHE A 54 0.212 -2.603 -0.821 1.00 0.00 H new ATOM 799 N PRO A 55 5.839 -0.256 -3.249 1.00 0.00 N ATOM 800 CA PRO A 55 6.648 -1.342 -2.721 1.00 0.00 C ATOM 801 C PRO A 55 6.001 -1.952 -1.476 1.00 0.00 C ATOM 802 O PRO A 55 5.734 -1.249 -0.503 1.00 0.00 O ATOM 803 CB PRO A 55 8.006 -0.720 -2.440 1.00 0.00 C ATOM 804 CG PRO A 55 7.774 0.781 -2.382 1.00 0.00 C ATOM 805 CD PRO A 55 6.397 1.062 -2.963 1.00 0.00 C ATOM 0 HA PRO A 55 6.742 -2.174 -3.419 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.417 -1.088 -1.500 1.00 0.00 H new ATOM 0 HB3 PRO A 55 8.721 -0.975 -3.222 1.00 0.00 H new ATOM 0 HG2 PRO A 55 7.835 1.137 -1.354 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.542 1.308 -2.948 1.00 0.00 H new ATOM 0 HD2 PRO A 55 5.774 1.611 -2.257 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.465 1.668 -3.867 1.00 0.00 H new ATOM 813 N SER A 56 5.768 -3.254 -1.548 1.00 0.00 N ATOM 814 CA SER A 56 5.157 -3.967 -0.439 1.00 0.00 C ATOM 815 C SER A 56 6.213 -4.293 0.619 1.00 0.00 C ATOM 816 O SER A 56 5.914 -4.938 1.623 1.00 0.00 O ATOM 817 CB SER A 56 4.473 -5.249 -0.918 1.00 0.00 C ATOM 818 OG SER A 56 5.409 -6.297 -1.157 1.00 0.00 O ATOM 0 H SER A 56 5.991 -3.834 -2.357 1.00 0.00 H new ATOM 0 HA SER A 56 4.396 -3.324 0.002 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.748 -5.574 -0.171 1.00 0.00 H new ATOM 0 HB3 SER A 56 3.918 -5.043 -1.833 1.00 0.00 H new ATOM 0 HG SER A 56 4.927 -7.135 -1.318 1.00 0.00 H new ATOM 824 N ASN A 57 7.428 -3.833 0.358 1.00 0.00 N ATOM 825 CA ASN A 57 8.530 -4.067 1.275 1.00 0.00 C ATOM 826 C ASN A 57 8.662 -2.874 2.223 1.00 0.00 C ATOM 827 O ASN A 57 9.642 -2.767 2.959 1.00 0.00 O ATOM 828 CB ASN A 57 9.852 -4.220 0.520 1.00 0.00 C ATOM 829 CG ASN A 57 10.628 -5.442 1.014 1.00 0.00 C ATOM 830 OD1 ASN A 57 10.839 -5.638 2.200 1.00 0.00 O ATOM 831 ND2 ASN A 57 11.040 -6.251 0.042 1.00 0.00 N ATOM 0 H ASN A 57 7.673 -3.299 -0.476 1.00 0.00 H new ATOM 0 HA ASN A 57 8.321 -4.984 1.826 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.656 -4.317 -0.548 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.457 -3.323 0.653 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.567 -7.094 0.269 1.00 0.00 H new ATOM 0 HD22 ASN A 57 10.829 -6.028 -0.931 1.00 0.00 H new ATOM 838 N PHE A 58 7.662 -2.006 2.173 1.00 0.00 N ATOM 839 CA PHE A 58 7.654 -0.824 3.018 1.00 0.00 C ATOM 840 C PHE A 58 6.275 -0.605 3.642 1.00 0.00 C ATOM 841 O PHE A 58 5.801 0.527 3.729 1.00 0.00 O ATOM 842 CB PHE A 58 7.991 0.369 2.122 1.00 0.00 C ATOM 843 CG PHE A 58 9.484 0.526 1.829 1.00 0.00 C ATOM 844 CD1 PHE A 58 10.356 0.760 2.847 1.00 0.00 C ATOM 845 CD2 PHE A 58 9.940 0.432 0.551 1.00 0.00 C ATOM 846 CE1 PHE A 58 11.742 0.906 2.575 1.00 0.00 C ATOM 847 CE2 PHE A 58 11.326 0.578 0.279 1.00 0.00 C ATOM 848 CZ PHE A 58 12.198 0.812 1.297 1.00 0.00 C ATOM 0 H PHE A 58 6.852 -2.098 1.560 1.00 0.00 H new ATOM 0 HA PHE A 58 8.375 -0.941 3.828 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.455 0.264 1.179 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.627 1.280 2.596 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.994 0.835 3.862 1.00 0.00 H new ATOM 0 HD2 PHE A 58 9.248 0.246 -0.257 1.00 0.00 H new ATOM 0 HE1 PHE A 58 12.434 1.092 3.383 1.00 0.00 H new ATOM 0 HE2 PHE A 58 11.688 0.503 -0.736 1.00 0.00 H new ATOM 0 HZ PHE A 58 13.252 0.923 1.090 1.00 0.00 H new ATOM 858 N ILE A 59 5.668 -1.707 4.061 1.00 0.00 N ATOM 859 CA ILE A 59 4.352 -1.649 4.674 1.00 0.00 C ATOM 860 C ILE A 59 4.278 -2.673 5.809 1.00 0.00 C ATOM 861 O ILE A 59 5.283 -3.290 6.160 1.00 0.00 O ATOM 862 CB ILE A 59 3.260 -1.823 3.617 1.00 0.00 C ATOM 863 CG1 ILE A 59 3.597 -2.973 2.665 1.00 0.00 C ATOM 864 CG2 ILE A 59 3.010 -0.513 2.867 1.00 0.00 C ATOM 865 CD1 ILE A 59 3.147 -4.315 3.246 1.00 0.00 C ATOM 0 H ILE A 59 6.064 -2.644 3.988 1.00 0.00 H new ATOM 0 HA ILE A 59 4.181 -0.668 5.117 1.00 0.00 H new ATOM 0 HB ILE A 59 2.332 -2.086 4.124 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.111 -2.808 1.703 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.671 -2.994 2.480 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.229 -0.664 2.121 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.694 0.256 3.572 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.928 -0.196 2.372 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.398 -5.115 2.550 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.653 -4.488 4.196 1.00 0.00 H new ATOM 0 HD13 ILE A 59 2.069 -4.299 3.407 1.00 0.00 H new ATOM 877 N LYS A 60 3.079 -2.822 6.351 1.00 0.00 N ATOM 878 CA LYS A 60 2.860 -3.761 7.438 1.00 0.00 C ATOM 879 C LYS A 60 1.437 -4.314 7.350 1.00 0.00 C ATOM 880 O LYS A 60 0.484 -3.656 7.766 1.00 0.00 O ATOM 881 CB LYS A 60 3.184 -3.107 8.783 1.00 0.00 C ATOM 882 CG LYS A 60 2.252 -1.925 9.057 1.00 0.00 C ATOM 883 CD LYS A 60 2.937 -0.880 9.940 1.00 0.00 C ATOM 884 CE LYS A 60 2.185 -0.701 11.260 1.00 0.00 C ATOM 885 NZ LYS A 60 2.710 -1.630 12.286 1.00 0.00 N ATOM 0 H LYS A 60 2.248 -2.308 6.058 1.00 0.00 H new ATOM 0 HA LYS A 60 3.538 -4.610 7.351 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.088 -3.843 9.582 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.219 -2.766 8.786 1.00 0.00 H new ATOM 0 HG2 LYS A 60 1.951 -1.469 8.114 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.344 -2.279 9.544 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.964 -1.185 10.141 1.00 0.00 H new ATOM 0 HD3 LYS A 60 2.985 0.073 9.412 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.286 0.328 11.606 1.00 0.00 H new ATOM 0 HE3 LYS A 60 1.121 -0.883 11.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.189 -1.495 13.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.591 -2.610 11.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.720 -1.438 12.444 1.00 0.00 H new ATOM 899 N GLU A 61 1.336 -5.518 6.806 1.00 0.00 N ATOM 900 CA GLU A 61 0.045 -6.168 6.659 1.00 0.00 C ATOM 901 C GLU A 61 -0.825 -5.906 7.890 1.00 0.00 C ATOM 902 O GLU A 61 -0.309 -5.619 8.969 1.00 0.00 O ATOM 903 CB GLU A 61 0.211 -7.669 6.414 1.00 0.00 C ATOM 904 CG GLU A 61 1.212 -7.933 5.287 1.00 0.00 C ATOM 905 CD GLU A 61 2.434 -8.692 5.807 1.00 0.00 C ATOM 906 OE1 GLU A 61 2.218 -9.701 6.512 1.00 0.00 O ATOM 907 OE2 GLU A 61 3.558 -8.246 5.487 1.00 0.00 O ATOM 0 H GLU A 61 2.128 -6.061 6.461 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.455 -5.745 5.788 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.551 -8.155 7.329 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.753 -8.108 6.159 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.731 -8.509 4.496 1.00 0.00 H new ATOM 0 HG3 GLU A 61 1.527 -6.987 4.846 1.00 0.00 H new ATOM 914 N LEU A 62 -2.130 -6.014 7.687 1.00 0.00 N ATOM 915 CA LEU A 62 -3.076 -5.793 8.767 1.00 0.00 C ATOM 916 C LEU A 62 -4.223 -6.798 8.649 1.00 0.00 C ATOM 917 O LEU A 62 -5.063 -6.685 7.758 1.00 0.00 O ATOM 918 CB LEU A 62 -3.536 -4.334 8.786 1.00 0.00 C ATOM 919 CG LEU A 62 -2.464 -3.288 8.475 1.00 0.00 C ATOM 920 CD1 LEU A 62 -3.072 -2.071 7.774 1.00 0.00 C ATOM 921 CD2 LEU A 62 -1.696 -2.897 9.739 1.00 0.00 C ATOM 0 H LEU A 62 -2.554 -6.252 6.790 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.599 -5.965 9.732 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.346 -4.220 8.066 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.952 -4.118 9.770 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.745 -3.731 7.786 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.289 -1.343 7.564 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.536 -2.384 6.839 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.825 -1.618 8.419 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.940 -2.152 9.490 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.388 -2.481 10.471 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.212 -3.779 10.158 1.00 0.00 H new