USER MOD reduce.3.24.130724 H: found=0, std=0, add=442, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 444 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 12 TYR OH : rot 165:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 70:sc= -2.55 USER MOD Single : A 17 LYS NZ :NH3+ -167:sc=-6.29e-05 (180deg=-0.0881) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.105 K(o=-0.1,f=-1.1) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.0502 USER MOD Single : A 35 HIS : no HD1:sc= -2.97! C(o=-3!,f=-2.9!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -8.61! C(o=-8.6!,f=-21!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.703 K(o=-0.7,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 137 N TYR A 12 4.127 -1.342 -10.975 1.00 0.00 N ATOM 138 CA TYR A 12 4.801 -0.612 -9.907 1.00 0.00 C ATOM 139 C TYR A 12 5.944 0.232 -10.462 1.00 0.00 C ATOM 140 O TYR A 12 6.554 -0.094 -11.481 1.00 0.00 O ATOM 141 CB TYR A 12 5.335 -1.585 -8.855 1.00 0.00 C ATOM 142 CG TYR A 12 4.309 -2.590 -8.383 1.00 0.00 C ATOM 143 CD1 TYR A 12 2.993 -2.212 -8.149 1.00 0.00 C ATOM 144 CD2 TYR A 12 4.656 -3.919 -8.172 1.00 0.00 C ATOM 145 CE1 TYR A 12 2.053 -3.127 -7.717 1.00 0.00 C ATOM 146 CE2 TYR A 12 3.722 -4.842 -7.742 1.00 0.00 C ATOM 147 CZ TYR A 12 2.422 -4.441 -7.515 1.00 0.00 C ATOM 148 OH TYR A 12 1.488 -5.356 -7.087 1.00 0.00 O ATOM 0 HA TYR A 12 4.075 0.054 -9.441 1.00 0.00 H new ATOM 0 HB2 TYR A 12 6.191 -2.119 -9.268 1.00 0.00 H new ATOM 0 HB3 TYR A 12 5.696 -1.017 -7.998 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.700 -1.185 -8.308 1.00 0.00 H new ATOM 0 HD2 TYR A 12 5.673 -4.236 -8.347 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.034 -2.816 -7.538 1.00 0.00 H new ATOM 0 HE2 TYR A 12 4.008 -5.871 -7.585 1.00 0.00 H new ATOM 0 HH TYR A 12 1.833 -6.263 -7.222 1.00 0.00 H new ATOM 158 N PRO A 13 6.242 1.346 -9.777 1.00 0.00 N ATOM 159 CA PRO A 13 5.522 1.746 -8.564 1.00 0.00 C ATOM 160 C PRO A 13 4.094 2.191 -8.858 1.00 0.00 C ATOM 161 O PRO A 13 3.760 2.530 -9.994 1.00 0.00 O ATOM 162 CB PRO A 13 6.350 2.918 -8.031 1.00 0.00 C ATOM 163 CG PRO A 13 7.037 3.473 -9.230 1.00 0.00 C ATOM 164 CD PRO A 13 7.304 2.301 -10.134 1.00 0.00 C ATOM 0 HA PRO A 13 5.422 0.922 -7.858 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.716 3.667 -7.556 1.00 0.00 H new ATOM 0 HB3 PRO A 13 7.068 2.587 -7.281 1.00 0.00 H new ATOM 0 HG2 PRO A 13 6.414 4.216 -9.728 1.00 0.00 H new ATOM 0 HG3 PRO A 13 7.966 3.971 -8.952 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.253 2.585 -11.185 1.00 0.00 H new ATOM 0 HD3 PRO A 13 8.296 1.881 -9.965 1.00 0.00 H new ATOM 172 N LEU A 14 3.255 2.190 -7.827 1.00 0.00 N ATOM 173 CA LEU A 14 1.862 2.595 -7.975 1.00 0.00 C ATOM 174 C LEU A 14 1.393 3.388 -6.759 1.00 0.00 C ATOM 175 O LEU A 14 1.400 2.884 -5.635 1.00 0.00 O ATOM 176 CB LEU A 14 0.971 1.367 -8.171 1.00 0.00 C ATOM 177 CG LEU A 14 0.984 0.745 -9.568 1.00 0.00 C ATOM 178 CD1 LEU A 14 0.301 -0.614 -9.554 1.00 0.00 C ATOM 179 CD2 LEU A 14 0.310 1.672 -10.570 1.00 0.00 C ATOM 0 H LEU A 14 3.516 1.913 -6.880 1.00 0.00 H new ATOM 0 HA LEU A 14 1.787 3.235 -8.854 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.274 0.605 -7.453 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.055 1.645 -7.928 1.00 0.00 H new ATOM 0 HG LEU A 14 2.021 0.604 -9.873 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.320 -1.041 -10.557 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.826 -1.278 -8.867 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.733 -0.498 -9.228 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.328 1.214 -11.559 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.723 1.844 -10.269 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.842 2.623 -10.601 1.00 0.00 H new ATOM 191 N THR A 15 0.984 4.631 -6.991 1.00 0.00 N ATOM 192 CA THR A 15 0.511 5.493 -5.915 1.00 0.00 C ATOM 193 C THR A 15 -0.933 5.174 -5.549 1.00 0.00 C ATOM 194 O THR A 15 -1.831 5.269 -6.387 1.00 0.00 O ATOM 195 CB THR A 15 0.614 6.981 -6.301 1.00 0.00 C ATOM 196 OG1 THR A 15 1.897 7.250 -6.879 1.00 0.00 O ATOM 197 CG2 THR A 15 0.404 7.871 -5.086 1.00 0.00 C ATOM 0 H THR A 15 0.971 5.064 -7.915 1.00 0.00 H new ATOM 0 HA THR A 15 1.151 5.303 -5.054 1.00 0.00 H new ATOM 0 HB THR A 15 -0.166 7.199 -7.031 1.00 0.00 H new ATOM 0 HG1 THR A 15 1.954 8.197 -7.123 1.00 0.00 H new ATOM 0 HG21 THR A 15 0.481 8.917 -5.383 1.00 0.00 H new ATOM 0 HG22 THR A 15 -0.584 7.685 -4.665 1.00 0.00 H new ATOM 0 HG23 THR A 15 1.164 7.650 -4.337 1.00 0.00 H new ATOM 205 N CYS A 16 -1.151 4.795 -4.295 1.00 0.00 N ATOM 206 CA CYS A 16 -2.489 4.461 -3.818 1.00 0.00 C ATOM 207 C CYS A 16 -2.993 5.511 -2.834 1.00 0.00 C ATOM 208 O CYS A 16 -2.268 6.439 -2.473 1.00 0.00 O ATOM 209 CB CYS A 16 -2.487 3.083 -3.156 1.00 0.00 C ATOM 210 SG CYS A 16 -1.204 2.868 -1.901 1.00 0.00 S ATOM 0 H CYS A 16 -0.419 4.711 -3.590 1.00 0.00 H new ATOM 0 HA CYS A 16 -3.160 4.443 -4.677 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.461 2.911 -2.698 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.358 2.322 -3.926 1.00 0.00 H new ATOM 0 HG CYS A 16 -1.487 3.596 -0.862 1.00 0.00 H new ATOM 216 N LYS A 17 -4.240 5.360 -2.403 1.00 0.00 N ATOM 217 CA LYS A 17 -4.844 6.295 -1.460 1.00 0.00 C ATOM 218 C LYS A 17 -5.506 5.551 -0.305 1.00 0.00 C ATOM 219 O LYS A 17 -6.564 4.943 -0.470 1.00 0.00 O ATOM 220 CB LYS A 17 -5.874 7.175 -2.171 1.00 0.00 C ATOM 221 CG LYS A 17 -6.557 8.174 -1.253 1.00 0.00 C ATOM 222 CD LYS A 17 -5.595 9.254 -0.789 1.00 0.00 C ATOM 223 CE LYS A 17 -6.332 10.521 -0.383 1.00 0.00 C ATOM 224 NZ LYS A 17 -6.840 11.270 -1.566 1.00 0.00 N ATOM 0 H LYS A 17 -4.854 4.598 -2.692 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.053 6.927 -1.056 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.382 7.715 -2.980 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.631 6.537 -2.628 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -7.397 8.633 -1.774 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.966 7.653 -0.387 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.012 8.885 0.055 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.890 9.482 -1.588 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.166 10.263 0.269 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.664 11.161 0.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.137 12.222 -1.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.086 11.347 -2.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.652 10.764 -1.974 1.00 0.00 H new ATOM 238 N VAL A 18 -4.877 5.604 0.865 1.00 0.00 N ATOM 239 CA VAL A 18 -5.407 4.937 2.049 1.00 0.00 C ATOM 240 C VAL A 18 -6.806 5.443 2.384 1.00 0.00 C ATOM 241 O VAL A 18 -6.967 6.519 2.960 1.00 0.00 O ATOM 242 CB VAL A 18 -4.491 5.147 3.269 1.00 0.00 C ATOM 243 CG1 VAL A 18 -5.171 4.657 4.538 1.00 0.00 C ATOM 244 CG2 VAL A 18 -3.159 4.442 3.062 1.00 0.00 C ATOM 0 H VAL A 18 -4.000 6.102 1.018 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.454 3.873 1.819 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.298 6.214 3.378 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.509 4.814 5.389 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.097 5.211 4.692 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.395 3.595 4.444 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.524 4.601 3.934 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.330 3.374 2.927 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.668 4.845 2.177 1.00 0.00 H new ATOM 254 N VAL A 19 -7.816 4.659 2.020 1.00 0.00 N ATOM 255 CA VAL A 19 -9.202 5.026 2.284 1.00 0.00 C ATOM 256 C VAL A 19 -9.686 4.433 3.603 1.00 0.00 C ATOM 257 O VAL A 19 -10.629 4.937 4.213 1.00 0.00 O ATOM 258 CB VAL A 19 -10.132 4.555 1.150 1.00 0.00 C ATOM 259 CG1 VAL A 19 -10.076 5.521 -0.023 1.00 0.00 C ATOM 260 CG2 VAL A 19 -9.765 3.146 0.710 1.00 0.00 C ATOM 0 H VAL A 19 -7.700 3.766 1.541 1.00 0.00 H new ATOM 0 HA VAL A 19 -9.236 6.114 2.344 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.155 4.538 1.526 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -10.739 5.172 -0.814 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -10.393 6.511 0.305 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -9.055 5.574 -0.402 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -10.432 2.830 -0.092 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -8.736 3.133 0.352 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.864 2.464 1.554 1.00 0.00 H new ATOM 270 N TYR A 20 -9.033 3.361 4.038 1.00 0.00 N ATOM 271 CA TYR A 20 -9.398 2.698 5.285 1.00 0.00 C ATOM 272 C TYR A 20 -8.204 2.624 6.232 1.00 0.00 C ATOM 273 O TYR A 20 -7.204 1.971 5.937 1.00 0.00 O ATOM 274 CB TYR A 20 -9.928 1.292 5.002 1.00 0.00 C ATOM 275 CG TYR A 20 -11.350 1.272 4.488 1.00 0.00 C ATOM 276 CD1 TYR A 20 -11.700 1.956 3.331 1.00 0.00 C ATOM 277 CD2 TYR A 20 -12.342 0.567 5.158 1.00 0.00 C ATOM 278 CE1 TYR A 20 -12.998 1.942 2.858 1.00 0.00 C ATOM 279 CE2 TYR A 20 -13.642 0.546 4.691 1.00 0.00 C ATOM 280 CZ TYR A 20 -13.965 1.235 3.541 1.00 0.00 C ATOM 281 OH TYR A 20 -15.259 1.217 3.072 1.00 0.00 O ATOM 0 H TYR A 20 -8.249 2.933 3.546 1.00 0.00 H new ATOM 0 HA TYR A 20 -10.182 3.285 5.764 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -9.280 0.809 4.271 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -9.873 0.701 5.916 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -10.945 2.508 2.792 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -12.093 0.026 6.059 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -13.254 2.482 1.958 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -14.401 -0.007 5.224 1.00 0.00 H new ATOM 0 HH TYR A 20 -15.815 0.673 3.668 1.00 0.00 H new ATOM 291 N SER A 21 -8.319 3.298 7.372 1.00 0.00 N ATOM 292 CA SER A 21 -7.249 3.312 8.362 1.00 0.00 C ATOM 293 C SER A 21 -6.948 1.900 8.857 1.00 0.00 C ATOM 294 O SER A 21 -7.817 1.028 8.845 1.00 0.00 O ATOM 295 CB SER A 21 -7.629 4.208 9.542 1.00 0.00 C ATOM 296 OG SER A 21 -8.406 3.499 10.491 1.00 0.00 O ATOM 0 H SER A 21 -9.142 3.841 7.633 1.00 0.00 H new ATOM 0 HA SER A 21 -6.353 3.710 7.886 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.726 4.589 10.019 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.188 5.071 9.182 1.00 0.00 H new ATOM 0 HG SER A 21 -8.635 4.093 11.236 1.00 0.00 H new ATOM 302 N TYR A 22 -5.711 1.684 9.291 1.00 0.00 N ATOM 303 CA TYR A 22 -5.294 0.378 9.788 1.00 0.00 C ATOM 304 C TYR A 22 -4.104 0.510 10.734 1.00 0.00 C ATOM 305 O TYR A 22 -3.033 0.976 10.343 1.00 0.00 O ATOM 306 CB TYR A 22 -4.933 -0.543 8.621 1.00 0.00 C ATOM 307 CG TYR A 22 -4.157 -1.772 9.038 1.00 0.00 C ATOM 308 CD1 TYR A 22 -2.782 -1.717 9.231 1.00 0.00 C ATOM 309 CD2 TYR A 22 -4.798 -2.988 9.238 1.00 0.00 C ATOM 310 CE1 TYR A 22 -2.069 -2.838 9.612 1.00 0.00 C ATOM 311 CE2 TYR A 22 -4.094 -4.113 9.620 1.00 0.00 C ATOM 312 CZ TYR A 22 -2.729 -4.033 9.805 1.00 0.00 C ATOM 313 OH TYR A 22 -2.023 -5.152 10.184 1.00 0.00 O ATOM 0 H TYR A 22 -4.980 2.396 9.309 1.00 0.00 H new ATOM 0 HA TYR A 22 -6.127 -0.056 10.340 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -5.849 -0.855 8.118 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -4.346 0.018 7.894 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.262 -0.783 9.081 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -5.866 -3.055 9.092 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.001 -2.778 9.758 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -4.609 -5.050 9.773 1.00 0.00 H new ATOM 0 HH TYR A 22 -2.637 -5.910 10.278 1.00 0.00 H new ATOM 323 N LYS A 23 -4.299 0.096 11.981 1.00 0.00 N ATOM 324 CA LYS A 23 -3.244 0.165 12.985 1.00 0.00 C ATOM 325 C LYS A 23 -2.389 -1.097 12.962 1.00 0.00 C ATOM 326 O LYS A 23 -2.850 -2.177 13.330 1.00 0.00 O ATOM 327 CB LYS A 23 -3.848 0.360 14.377 1.00 0.00 C ATOM 328 CG LYS A 23 -2.944 1.120 15.332 1.00 0.00 C ATOM 329 CD LYS A 23 -3.219 0.745 16.778 1.00 0.00 C ATOM 330 CE LYS A 23 -2.494 -0.533 17.171 1.00 0.00 C ATOM 331 NZ LYS A 23 -2.913 -1.019 18.514 1.00 0.00 N ATOM 0 H LYS A 23 -5.179 -0.291 12.321 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.608 1.018 12.750 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.793 0.895 14.282 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.076 -0.616 14.805 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.902 0.910 15.093 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.092 2.192 15.199 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.905 1.558 17.432 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.291 0.615 16.924 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -2.691 -1.305 16.428 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.419 -0.356 17.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.396 -1.891 18.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.702 -0.293 19.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.935 -1.213 18.510 1.00 0.00 H new ATOM 345 N ALA A 24 -1.140 -0.953 12.530 1.00 0.00 N ATOM 346 CA ALA A 24 -0.220 -2.081 12.464 1.00 0.00 C ATOM 347 C ALA A 24 0.044 -2.657 13.851 1.00 0.00 C ATOM 348 O ALA A 24 0.409 -1.932 14.776 1.00 0.00 O ATOM 349 CB ALA A 24 1.087 -1.658 11.809 1.00 0.00 C ATOM 0 H ALA A 24 -0.743 -0.066 12.221 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.683 -2.860 11.858 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.765 -2.510 11.766 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.889 -1.301 10.798 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.545 -0.859 12.393 1.00 0.00 H new ATOM 355 N SER A 25 -0.144 -3.966 13.989 1.00 0.00 N ATOM 356 CA SER A 25 0.069 -4.639 15.265 1.00 0.00 C ATOM 357 C SER A 25 1.450 -5.285 15.314 1.00 0.00 C ATOM 358 O SER A 25 2.066 -5.376 16.376 1.00 0.00 O ATOM 359 CB SER A 25 -1.011 -5.698 15.493 1.00 0.00 C ATOM 360 OG SER A 25 -2.200 -5.114 15.995 1.00 0.00 O ATOM 0 H SER A 25 -0.443 -4.581 13.233 1.00 0.00 H new ATOM 0 HA SER A 25 0.008 -3.892 16.057 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.223 -6.213 14.556 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.646 -6.448 16.194 1.00 0.00 H new ATOM 0 HG SER A 25 -2.875 -5.811 16.131 1.00 0.00 H new ATOM 366 N GLN A 26 1.929 -5.732 14.158 1.00 0.00 N ATOM 367 CA GLN A 26 3.237 -6.370 14.069 1.00 0.00 C ATOM 368 C GLN A 26 4.320 -5.349 13.734 1.00 0.00 C ATOM 369 O GLN A 26 4.071 -4.337 13.079 1.00 0.00 O ATOM 370 CB GLN A 26 3.217 -7.475 13.011 1.00 0.00 C ATOM 371 CG GLN A 26 2.770 -8.825 13.550 1.00 0.00 C ATOM 372 CD GLN A 26 3.301 -9.985 12.731 1.00 0.00 C ATOM 373 OE1 GLN A 26 4.435 -9.954 12.252 1.00 0.00 O ATOM 374 NE2 GLN A 26 2.482 -11.017 12.566 1.00 0.00 N ATOM 0 H GLN A 26 1.431 -5.664 13.270 1.00 0.00 H new ATOM 0 HA GLN A 26 3.466 -6.809 15.040 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.552 -7.178 12.200 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.215 -7.576 12.584 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.106 -8.930 14.582 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.681 -8.864 13.564 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.550 -11.000 12.981 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.784 -11.827 12.024 1.00 0.00 H new ATOM 383 N PRO A 27 5.550 -5.619 14.195 1.00 0.00 N ATOM 384 CA PRO A 27 6.696 -4.736 13.956 1.00 0.00 C ATOM 385 C PRO A 27 7.135 -4.738 12.496 1.00 0.00 C ATOM 386 O PRO A 27 7.917 -3.887 12.072 1.00 0.00 O ATOM 387 CB PRO A 27 7.792 -5.329 14.845 1.00 0.00 C ATOM 388 CG PRO A 27 7.421 -6.764 14.997 1.00 0.00 C ATOM 389 CD PRO A 27 5.918 -6.808 14.982 1.00 0.00 C ATOM 0 HA PRO A 27 6.462 -3.695 14.181 1.00 0.00 H new ATOM 0 HB2 PRO A 27 8.775 -5.221 14.387 1.00 0.00 H new ATOM 0 HB3 PRO A 27 7.833 -4.826 15.811 1.00 0.00 H new ATOM 0 HG2 PRO A 27 7.837 -7.362 14.186 1.00 0.00 H new ATOM 0 HG3 PRO A 27 7.814 -7.172 15.928 1.00 0.00 H new ATOM 0 HD2 PRO A 27 5.547 -7.724 14.523 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.505 -6.767 15.990 1.00 0.00 H new ATOM 397 N ASP A 28 6.627 -5.697 11.731 1.00 0.00 N ATOM 398 CA ASP A 28 6.966 -5.809 10.317 1.00 0.00 C ATOM 399 C ASP A 28 5.868 -5.205 9.446 1.00 0.00 C ATOM 400 O ASP A 28 5.937 -5.260 8.219 1.00 0.00 O ATOM 401 CB ASP A 28 7.188 -7.273 9.938 1.00 0.00 C ATOM 402 CG ASP A 28 8.547 -7.784 10.372 1.00 0.00 C ATOM 403 OD1 ASP A 28 9.548 -7.451 9.703 1.00 0.00 O ATOM 404 OD2 ASP A 28 8.611 -8.517 11.382 1.00 0.00 O ATOM 0 H ASP A 28 5.978 -6.409 12.066 1.00 0.00 H new ATOM 0 HA ASP A 28 7.888 -5.254 10.144 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.410 -7.885 10.394 1.00 0.00 H new ATOM 0 HB3 ASP A 28 7.089 -7.385 8.858 1.00 0.00 H new ATOM 409 N GLU A 29 4.857 -4.632 10.091 1.00 0.00 N ATOM 410 CA GLU A 29 3.744 -4.020 9.374 1.00 0.00 C ATOM 411 C GLU A 29 3.951 -2.515 9.229 1.00 0.00 C ATOM 412 O GLU A 29 4.961 -1.970 9.677 1.00 0.00 O ATOM 413 CB GLU A 29 2.426 -4.297 10.101 1.00 0.00 C ATOM 414 CG GLU A 29 1.810 -5.642 9.755 1.00 0.00 C ATOM 415 CD GLU A 29 2.853 -6.699 9.447 1.00 0.00 C ATOM 416 OE1 GLU A 29 3.802 -6.847 10.244 1.00 0.00 O ATOM 417 OE2 GLU A 29 2.719 -7.378 8.407 1.00 0.00 O ATOM 0 H GLU A 29 4.785 -4.579 11.107 1.00 0.00 H new ATOM 0 HA GLU A 29 3.701 -4.461 8.378 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.598 -4.252 11.176 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.714 -3.508 9.858 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.191 -5.979 10.587 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.151 -5.525 8.894 1.00 0.00 H new ATOM 424 N LEU A 30 2.989 -1.850 8.599 1.00 0.00 N ATOM 425 CA LEU A 30 3.065 -0.407 8.394 1.00 0.00 C ATOM 426 C LEU A 30 1.766 0.272 8.813 1.00 0.00 C ATOM 427 O LEU A 30 0.712 0.044 8.217 1.00 0.00 O ATOM 428 CB LEU A 30 3.365 -0.097 6.926 1.00 0.00 C ATOM 429 CG LEU A 30 4.122 1.205 6.657 1.00 0.00 C ATOM 430 CD1 LEU A 30 3.332 2.398 7.171 1.00 0.00 C ATOM 431 CD2 LEU A 30 5.502 1.161 7.297 1.00 0.00 C ATOM 0 H LEU A 30 2.148 -2.286 8.221 1.00 0.00 H new ATOM 0 HA LEU A 30 3.873 -0.018 9.015 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.943 -0.923 6.512 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.421 -0.064 6.382 1.00 0.00 H new ATOM 0 HG LEU A 30 4.246 1.315 5.580 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.886 3.315 6.971 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.367 2.440 6.666 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.176 2.296 8.245 1.00 0.00 H new ATOM 0 HD21 LEU A 30 6.026 2.095 7.096 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.400 1.027 8.374 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.070 0.329 6.881 1.00 0.00 H new ATOM 443 N THR A 31 1.847 1.109 9.843 1.00 0.00 N ATOM 444 CA THR A 31 0.678 1.823 10.342 1.00 0.00 C ATOM 445 C THR A 31 0.174 2.835 9.320 1.00 0.00 C ATOM 446 O THR A 31 0.857 3.812 9.011 1.00 0.00 O ATOM 447 CB THR A 31 0.988 2.553 11.662 1.00 0.00 C ATOM 448 OG1 THR A 31 1.508 1.629 12.624 1.00 0.00 O ATOM 449 CG2 THR A 31 -0.262 3.221 12.217 1.00 0.00 C ATOM 0 H THR A 31 2.710 1.309 10.348 1.00 0.00 H new ATOM 0 HA THR A 31 -0.096 1.077 10.521 1.00 0.00 H new ATOM 0 HB THR A 31 1.733 3.322 11.459 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.704 2.102 13.460 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.019 3.730 13.149 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.638 3.946 11.495 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.025 2.466 12.404 1.00 0.00 H new ATOM 457 N ILE A 32 -1.025 2.596 8.799 1.00 0.00 N ATOM 458 CA ILE A 32 -1.620 3.489 7.813 1.00 0.00 C ATOM 459 C ILE A 32 -2.883 4.146 8.358 1.00 0.00 C ATOM 460 O ILE A 32 -3.536 3.610 9.253 1.00 0.00 O ATOM 461 CB ILE A 32 -1.966 2.740 6.512 1.00 0.00 C ATOM 462 CG1 ILE A 32 -3.052 1.695 6.772 1.00 0.00 C ATOM 463 CG2 ILE A 32 -0.721 2.085 5.931 1.00 0.00 C ATOM 464 CD1 ILE A 32 -3.708 1.179 5.511 1.00 0.00 C ATOM 0 H ILE A 32 -1.603 1.792 9.043 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.878 4.257 7.595 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.347 3.459 5.787 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.615 0.856 7.314 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.815 2.129 7.418 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.981 1.560 5.012 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.024 2.850 5.713 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.313 1.376 6.651 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.467 0.442 5.771 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.174 2.008 4.978 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.956 0.715 4.873 1.00 0.00 H new ATOM 476 N GLU A 33 -3.222 5.309 7.811 1.00 0.00 N ATOM 477 CA GLU A 33 -4.408 6.039 8.243 1.00 0.00 C ATOM 478 C GLU A 33 -5.080 6.734 7.062 1.00 0.00 C ATOM 479 O GLU A 33 -4.414 7.149 6.114 1.00 0.00 O ATOM 480 CB GLU A 33 -4.039 7.070 9.313 1.00 0.00 C ATOM 481 CG GLU A 33 -4.125 6.532 10.731 1.00 0.00 C ATOM 482 CD GLU A 33 -4.205 7.635 11.769 1.00 0.00 C ATOM 483 OE1 GLU A 33 -5.304 8.200 11.951 1.00 0.00 O ATOM 484 OE2 GLU A 33 -3.169 7.932 12.399 1.00 0.00 O ATOM 0 H GLU A 33 -2.693 5.766 7.068 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.110 5.321 8.667 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.025 7.425 9.129 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.701 7.931 9.219 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.002 5.890 10.820 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.253 5.910 10.933 1.00 0.00 H new ATOM 491 N GLU A 34 -6.402 6.856 7.128 1.00 0.00 N ATOM 492 CA GLU A 34 -7.163 7.499 6.063 1.00 0.00 C ATOM 493 C GLU A 34 -6.477 8.781 5.602 1.00 0.00 C ATOM 494 O GLU A 34 -5.884 9.505 6.404 1.00 0.00 O ATOM 495 CB GLU A 34 -8.584 7.810 6.539 1.00 0.00 C ATOM 496 CG GLU A 34 -9.559 8.080 5.405 1.00 0.00 C ATOM 497 CD GLU A 34 -10.996 7.788 5.791 1.00 0.00 C ATOM 498 OE1 GLU A 34 -11.214 6.890 6.632 1.00 0.00 O ATOM 499 OE2 GLU A 34 -11.903 8.455 5.252 1.00 0.00 O ATOM 0 H GLU A 34 -6.968 6.518 7.907 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.212 6.811 5.219 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.951 6.972 7.131 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.556 8.678 7.198 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.474 9.122 5.098 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.287 7.470 4.544 1.00 0.00 H new ATOM 506 N HIS A 35 -6.561 9.057 4.304 1.00 0.00 N ATOM 507 CA HIS A 35 -5.948 10.252 3.735 1.00 0.00 C ATOM 508 C HIS A 35 -4.427 10.133 3.731 1.00 0.00 C ATOM 509 O HIS A 35 -3.719 11.105 3.991 1.00 0.00 O ATOM 510 CB HIS A 35 -6.372 11.492 4.522 1.00 0.00 C ATOM 511 CG HIS A 35 -7.838 11.536 4.828 1.00 0.00 C ATOM 512 ND1 HIS A 35 -8.344 12.004 6.022 1.00 0.00 N ATOM 513 CD2 HIS A 35 -8.908 11.168 4.086 1.00 0.00 C ATOM 514 CE1 HIS A 35 -9.662 11.921 6.002 1.00 0.00 C ATOM 515 NE2 HIS A 35 -10.030 11.417 4.838 1.00 0.00 N ATOM 0 H HIS A 35 -7.047 8.469 3.627 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.290 10.350 2.705 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -5.813 11.527 5.457 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -6.101 12.382 3.955 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.884 10.755 3.088 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -10.326 12.215 6.801 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -10.991 11.241 4.545 1.00 0.00 H new ATOM 524 N GLU A 36 -3.933 8.935 3.433 1.00 0.00 N ATOM 525 CA GLU A 36 -2.496 8.691 3.397 1.00 0.00 C ATOM 526 C GLU A 36 -2.074 8.130 2.042 1.00 0.00 C ATOM 527 O GLU A 36 -2.318 6.963 1.736 1.00 0.00 O ATOM 528 CB GLU A 36 -2.093 7.721 4.510 1.00 0.00 C ATOM 529 CG GLU A 36 -0.590 7.596 4.694 1.00 0.00 C ATOM 530 CD GLU A 36 -0.217 6.853 5.962 1.00 0.00 C ATOM 531 OE1 GLU A 36 -1.030 6.850 6.909 1.00 0.00 O ATOM 532 OE2 GLU A 36 0.889 6.273 6.005 1.00 0.00 O ATOM 0 H GLU A 36 -4.506 8.120 3.213 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.988 9.643 3.552 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.539 8.052 5.448 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.507 6.737 4.290 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.165 7.077 3.835 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.147 8.591 4.717 1.00 0.00 H new ATOM 539 N VAL A 37 -1.439 8.972 1.232 1.00 0.00 N ATOM 540 CA VAL A 37 -0.982 8.562 -0.091 1.00 0.00 C ATOM 541 C VAL A 37 0.341 7.809 -0.006 1.00 0.00 C ATOM 542 O VAL A 37 1.359 8.366 0.406 1.00 0.00 O ATOM 543 CB VAL A 37 -0.811 9.774 -1.026 1.00 0.00 C ATOM 544 CG1 VAL A 37 -0.325 9.327 -2.396 1.00 0.00 C ATOM 545 CG2 VAL A 37 -2.117 10.547 -1.140 1.00 0.00 C ATOM 0 H VAL A 37 -1.229 9.942 1.469 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.747 7.902 -0.500 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.059 10.437 -0.599 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.210 10.197 -3.043 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.635 8.821 -2.294 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.051 8.642 -2.834 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.978 11.400 -1.804 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.892 9.895 -1.544 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.418 10.900 -0.154 1.00 0.00 H new ATOM 555 N LEU A 38 0.319 6.541 -0.399 1.00 0.00 N ATOM 556 CA LEU A 38 1.517 5.709 -0.369 1.00 0.00 C ATOM 557 C LEU A 38 1.943 5.316 -1.780 1.00 0.00 C ATOM 558 O LEU A 38 1.257 5.624 -2.754 1.00 0.00 O ATOM 559 CB LEU A 38 1.270 4.454 0.470 1.00 0.00 C ATOM 560 CG LEU A 38 0.620 4.677 1.836 1.00 0.00 C ATOM 561 CD1 LEU A 38 -0.133 3.432 2.278 1.00 0.00 C ATOM 562 CD2 LEU A 38 1.669 5.064 2.869 1.00 0.00 C ATOM 0 H LEU A 38 -0.516 6.066 -0.743 1.00 0.00 H new ATOM 0 HA LEU A 38 2.321 6.289 0.085 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.639 3.776 -0.104 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.224 3.949 0.622 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.094 5.496 1.748 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.589 3.609 3.252 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.910 3.199 1.550 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.560 2.594 2.349 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.189 5.219 3.835 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.407 4.266 2.954 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.164 5.984 2.558 1.00 0.00 H new ATOM 574 N GLU A 39 3.079 4.632 -1.881 1.00 0.00 N ATOM 575 CA GLU A 39 3.595 4.196 -3.173 1.00 0.00 C ATOM 576 C GLU A 39 3.956 2.713 -3.142 1.00 0.00 C ATOM 577 O GLU A 39 4.987 2.325 -2.593 1.00 0.00 O ATOM 578 CB GLU A 39 4.821 5.023 -3.563 1.00 0.00 C ATOM 579 CG GLU A 39 5.260 4.818 -5.003 1.00 0.00 C ATOM 580 CD GLU A 39 6.261 5.861 -5.462 1.00 0.00 C ATOM 581 OE1 GLU A 39 7.036 6.353 -4.616 1.00 0.00 O ATOM 582 OE2 GLU A 39 6.268 6.185 -6.668 1.00 0.00 O ATOM 0 H GLU A 39 3.659 4.368 -1.084 1.00 0.00 H new ATOM 0 HA GLU A 39 2.813 4.346 -3.917 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.602 6.079 -3.406 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.647 4.767 -2.900 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.701 3.826 -5.107 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.386 4.848 -5.653 1.00 0.00 H new ATOM 589 N VAL A 40 3.098 1.889 -3.735 1.00 0.00 N ATOM 590 CA VAL A 40 3.326 0.449 -3.777 1.00 0.00 C ATOM 591 C VAL A 40 4.508 0.106 -4.676 1.00 0.00 C ATOM 592 O VAL A 40 4.420 0.210 -5.900 1.00 0.00 O ATOM 593 CB VAL A 40 2.078 -0.302 -4.277 1.00 0.00 C ATOM 594 CG1 VAL A 40 2.330 -1.802 -4.298 1.00 0.00 C ATOM 595 CG2 VAL A 40 0.873 0.032 -3.412 1.00 0.00 C ATOM 0 H VAL A 40 2.239 2.194 -4.193 1.00 0.00 H new ATOM 0 HA VAL A 40 3.546 0.133 -2.757 1.00 0.00 H new ATOM 0 HB VAL A 40 1.865 0.021 -5.296 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.437 -2.316 -4.654 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.165 -2.021 -4.964 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.569 -2.145 -3.291 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.000 -0.507 -3.780 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.073 -0.261 -2.381 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.681 1.104 -3.454 1.00 0.00 H new ATOM 605 N ILE A 41 5.612 -0.305 -4.062 1.00 0.00 N ATOM 606 CA ILE A 41 6.811 -0.666 -4.808 1.00 0.00 C ATOM 607 C ILE A 41 6.884 -2.172 -5.037 1.00 0.00 C ATOM 608 O ILE A 41 7.387 -2.629 -6.062 1.00 0.00 O ATOM 609 CB ILE A 41 8.088 -0.207 -4.078 1.00 0.00 C ATOM 610 CG1 ILE A 41 8.098 -0.735 -2.642 1.00 0.00 C ATOM 611 CG2 ILE A 41 8.188 1.311 -4.090 1.00 0.00 C ATOM 612 CD1 ILE A 41 9.386 -0.448 -1.902 1.00 0.00 C ATOM 0 H ILE A 41 5.701 -0.396 -3.050 1.00 0.00 H new ATOM 0 HA ILE A 41 6.749 -0.157 -5.770 1.00 0.00 H new ATOM 0 HB ILE A 41 8.954 -0.613 -4.601 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.267 -0.291 -2.094 1.00 0.00 H new ATOM 0 HG13 ILE A 41 7.930 -1.812 -2.658 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.095 1.620 -3.571 1.00 0.00 H new ATOM 0 HG22 ILE A 41 8.221 1.665 -5.120 1.00 0.00 H new ATOM 0 HG23 ILE A 41 7.319 1.737 -3.588 1.00 0.00 H new ATOM 0 HD11 ILE A 41 9.322 -0.851 -0.891 1.00 0.00 H new ATOM 0 HD12 ILE A 41 10.219 -0.915 -2.427 1.00 0.00 H new ATOM 0 HD13 ILE A 41 9.546 0.629 -1.854 1.00 0.00 H new ATOM 624 N GLU A 42 6.377 -2.936 -4.075 1.00 0.00 N ATOM 625 CA GLU A 42 6.384 -4.391 -4.173 1.00 0.00 C ATOM 626 C GLU A 42 4.992 -4.960 -3.915 1.00 0.00 C ATOM 627 O GLU A 42 4.128 -4.287 -3.353 1.00 0.00 O ATOM 628 CB GLU A 42 7.383 -4.987 -3.178 1.00 0.00 C ATOM 629 CG GLU A 42 8.783 -5.151 -3.745 1.00 0.00 C ATOM 630 CD GLU A 42 9.724 -5.848 -2.783 1.00 0.00 C ATOM 631 OE1 GLU A 42 9.821 -5.403 -1.620 1.00 0.00 O ATOM 632 OE2 GLU A 42 10.364 -6.839 -3.193 1.00 0.00 O ATOM 0 H GLU A 42 5.957 -2.572 -3.220 1.00 0.00 H new ATOM 0 HA GLU A 42 6.686 -4.660 -5.185 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.430 -4.348 -2.296 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.018 -5.959 -2.848 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.731 -5.721 -4.673 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.187 -4.170 -3.996 1.00 0.00 H new ATOM 639 N ASP A 43 4.782 -6.205 -4.331 1.00 0.00 N ATOM 640 CA ASP A 43 3.496 -6.866 -4.145 1.00 0.00 C ATOM 641 C ASP A 43 3.497 -7.710 -2.875 1.00 0.00 C ATOM 642 O ASP A 43 2.743 -8.676 -2.759 1.00 0.00 O ATOM 643 CB ASP A 43 3.170 -7.743 -5.355 1.00 0.00 C ATOM 644 CG ASP A 43 3.690 -9.159 -5.201 1.00 0.00 C ATOM 645 OD1 ASP A 43 4.925 -9.341 -5.212 1.00 0.00 O ATOM 646 OD2 ASP A 43 2.861 -10.084 -5.069 1.00 0.00 O ATOM 0 H ASP A 43 5.486 -6.776 -4.799 1.00 0.00 H new ATOM 0 HA ASP A 43 2.731 -6.096 -4.047 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.090 -7.769 -5.500 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.601 -7.296 -6.251 1.00 0.00 H new ATOM 651 N GLY A 44 4.350 -7.340 -1.924 1.00 0.00 N ATOM 652 CA GLY A 44 4.434 -8.074 -0.676 1.00 0.00 C ATOM 653 C GLY A 44 4.701 -9.551 -0.889 1.00 0.00 C ATOM 654 O GLY A 44 4.917 -9.993 -2.017 1.00 0.00 O ATOM 0 H GLY A 44 4.984 -6.544 -1.997 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.228 -7.649 -0.061 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.503 -7.952 -0.123 1.00 0.00 H new ATOM 714 N TRP A 49 -1.368 -9.117 0.734 1.00 0.00 N ATOM 715 CA TRP A 49 -0.503 -8.128 1.368 1.00 0.00 C ATOM 716 C TRP A 49 0.425 -7.482 0.345 1.00 0.00 C ATOM 717 O TRP A 49 0.908 -8.143 -0.574 1.00 0.00 O ATOM 718 CB TRP A 49 0.318 -8.779 2.482 1.00 0.00 C ATOM 719 CG TRP A 49 -0.496 -9.138 3.688 1.00 0.00 C ATOM 720 CD1 TRP A 49 -1.095 -10.338 3.944 1.00 0.00 C ATOM 721 CD2 TRP A 49 -0.801 -8.289 4.799 1.00 0.00 C ATOM 722 NE1 TRP A 49 -1.755 -10.286 5.149 1.00 0.00 N ATOM 723 CE2 TRP A 49 -1.589 -9.040 5.693 1.00 0.00 C ATOM 724 CE3 TRP A 49 -0.485 -6.968 5.127 1.00 0.00 C ATOM 725 CZ2 TRP A 49 -2.064 -8.512 6.891 1.00 0.00 C ATOM 726 CZ3 TRP A 49 -0.957 -6.445 6.316 1.00 0.00 C ATOM 727 CH2 TRP A 49 -1.739 -7.216 7.187 1.00 0.00 C ATOM 0 HA TRP A 49 -1.134 -7.351 1.799 1.00 0.00 H new ATOM 0 HB2 TRP A 49 0.795 -9.679 2.094 1.00 0.00 H new ATOM 0 HB3 TRP A 49 1.116 -8.099 2.780 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -1.056 -11.201 3.296 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -2.283 -11.051 5.570 1.00 0.00 H new ATOM 0 HE3 TRP A 49 0.118 -6.366 4.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -2.668 -9.104 7.563 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -0.719 -5.425 6.579 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -2.092 -6.779 8.109 1.00 0.00 H new ATOM 738 N VAL A 50 0.673 -6.187 0.512 1.00 0.00 N ATOM 739 CA VAL A 50 1.545 -5.452 -0.396 1.00 0.00 C ATOM 740 C VAL A 50 2.502 -4.548 0.373 1.00 0.00 C ATOM 741 O VAL A 50 2.259 -4.210 1.531 1.00 0.00 O ATOM 742 CB VAL A 50 0.732 -4.597 -1.386 1.00 0.00 C ATOM 743 CG1 VAL A 50 -0.100 -5.484 -2.300 1.00 0.00 C ATOM 744 CG2 VAL A 50 -0.151 -3.610 -0.638 1.00 0.00 C ATOM 0 H VAL A 50 0.282 -5.625 1.268 1.00 0.00 H new ATOM 0 HA VAL A 50 2.118 -6.193 -0.953 1.00 0.00 H new ATOM 0 HB VAL A 50 1.427 -4.030 -2.005 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.668 -4.862 -2.992 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.558 -6.146 -2.863 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.788 -6.080 -1.701 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.718 -3.014 -1.353 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.840 -4.155 0.007 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.471 -2.952 -0.031 1.00 0.00 H new ATOM 754 N LYS A 51 3.592 -4.158 -0.280 1.00 0.00 N ATOM 755 CA LYS A 51 4.586 -3.291 0.340 1.00 0.00 C ATOM 756 C LYS A 51 4.421 -1.849 -0.130 1.00 0.00 C ATOM 757 O LYS A 51 4.222 -1.593 -1.318 1.00 0.00 O ATOM 758 CB LYS A 51 5.998 -3.785 0.016 1.00 0.00 C ATOM 759 CG LYS A 51 7.025 -3.433 1.078 1.00 0.00 C ATOM 760 CD LYS A 51 8.336 -4.167 0.851 1.00 0.00 C ATOM 761 CE LYS A 51 9.118 -4.323 2.146 1.00 0.00 C ATOM 762 NZ LYS A 51 10.494 -4.840 1.904 1.00 0.00 N ATOM 0 H LYS A 51 3.809 -4.429 -1.239 1.00 0.00 H new ATOM 0 HA LYS A 51 4.435 -3.322 1.419 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.975 -4.867 -0.110 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.313 -3.360 -0.937 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.203 -2.358 1.071 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.632 -3.685 2.063 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.135 -5.150 0.425 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.938 -3.622 0.124 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.176 -3.360 2.654 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.586 -5.003 2.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.995 -4.932 2.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.439 -5.770 1.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 11.010 -4.179 1.289 1.00 0.00 H new ATOM 776 N ALA A 52 4.505 -0.912 0.808 1.00 0.00 N ATOM 777 CA ALA A 52 4.368 0.504 0.488 1.00 0.00 C ATOM 778 C ALA A 52 5.182 1.365 1.447 1.00 0.00 C ATOM 779 O ALA A 52 5.330 1.031 2.623 1.00 0.00 O ATOM 780 CB ALA A 52 2.903 0.913 0.522 1.00 0.00 C ATOM 0 H ALA A 52 4.667 -1.107 1.796 1.00 0.00 H new ATOM 0 HA ALA A 52 4.755 0.663 -0.518 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.815 1.972 0.281 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.345 0.327 -0.208 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.498 0.732 1.518 1.00 0.00 H new ATOM 786 N ARG A 53 5.708 2.474 0.938 1.00 0.00 N ATOM 787 CA ARG A 53 6.509 3.382 1.750 1.00 0.00 C ATOM 788 C ARG A 53 5.810 4.729 1.910 1.00 0.00 C ATOM 789 O ARG A 53 5.300 5.293 0.943 1.00 0.00 O ATOM 790 CB ARG A 53 7.888 3.582 1.119 1.00 0.00 C ATOM 791 CG ARG A 53 8.903 4.213 2.059 1.00 0.00 C ATOM 792 CD ARG A 53 9.998 4.937 1.292 1.00 0.00 C ATOM 793 NE ARG A 53 9.568 6.255 0.835 1.00 0.00 N ATOM 794 CZ ARG A 53 10.210 6.958 -0.091 1.00 0.00 C ATOM 795 NH1 ARG A 53 11.306 6.471 -0.656 1.00 0.00 N ATOM 796 NH2 ARG A 53 9.756 8.151 -0.454 1.00 0.00 N ATOM 0 H ARG A 53 5.594 2.765 -0.033 1.00 0.00 H new ATOM 0 HA ARG A 53 6.630 2.936 2.737 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.268 2.617 0.783 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.786 4.210 0.234 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.398 4.914 2.724 1.00 0.00 H new ATOM 0 HG3 ARG A 53 9.347 3.441 2.688 1.00 0.00 H new ATOM 0 HD2 ARG A 53 10.877 5.043 1.928 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.297 4.336 0.433 1.00 0.00 H new ATOM 0 HE ARG A 53 8.728 6.658 1.250 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.658 5.554 -0.380 1.00 0.00 H new ATOM 0 HH12 ARG A 53 11.797 7.013 -1.367 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.913 8.529 -0.022 1.00 0.00 H new ATOM 0 HH22 ARG A 53 10.250 8.690 -1.165 1.00 0.00 H new ATOM 810 N ASN A 54 5.792 5.239 3.137 1.00 0.00 N ATOM 811 CA ASN A 54 5.155 6.519 3.424 1.00 0.00 C ATOM 812 C ASN A 54 6.129 7.672 3.203 1.00 0.00 C ATOM 813 O ASN A 54 7.262 7.469 2.766 1.00 0.00 O ATOM 814 CB ASN A 54 4.635 6.543 4.862 1.00 0.00 C ATOM 815 CG ASN A 54 5.537 5.783 5.816 1.00 0.00 C ATOM 816 OD1 ASN A 54 6.737 5.645 5.575 1.00 0.00 O ATOM 817 ND2 ASN A 54 4.962 5.286 6.904 1.00 0.00 N ATOM 0 H ASN A 54 6.211 4.785 3.949 1.00 0.00 H new ATOM 0 HA ASN A 54 4.315 6.640 2.740 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.546 7.577 5.196 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.634 6.112 4.891 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.518 4.765 7.582 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.964 5.425 7.062 1.00 0.00 H new ATOM 824 N LYS A 55 5.680 8.885 3.510 1.00 0.00 N ATOM 825 CA LYS A 55 6.511 10.072 3.348 1.00 0.00 C ATOM 826 C LYS A 55 7.728 10.014 4.266 1.00 0.00 C ATOM 827 O LYS A 55 8.829 10.406 3.879 1.00 0.00 O ATOM 828 CB LYS A 55 5.696 11.334 3.643 1.00 0.00 C ATOM 829 CG LYS A 55 5.307 11.479 5.104 1.00 0.00 C ATOM 830 CD LYS A 55 6.354 12.256 5.884 1.00 0.00 C ATOM 831 CE LYS A 55 6.266 13.748 5.603 1.00 0.00 C ATOM 832 NZ LYS A 55 7.306 14.515 6.343 1.00 0.00 N ATOM 0 H LYS A 55 4.745 9.071 3.872 1.00 0.00 H new ATOM 0 HA LYS A 55 6.858 10.104 2.315 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.273 12.208 3.341 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.792 11.323 3.034 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.346 11.988 5.177 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.180 10.491 5.548 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.221 12.077 6.951 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.348 11.893 5.622 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.378 13.923 4.533 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.278 14.113 5.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.212 15.527 6.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.184 14.369 7.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.250 14.185 6.057 1.00 0.00 H new ATOM 846 N VAL A 56 7.522 9.521 5.483 1.00 0.00 N ATOM 847 CA VAL A 56 8.603 9.409 6.455 1.00 0.00 C ATOM 848 C VAL A 56 9.682 8.449 5.969 1.00 0.00 C ATOM 849 O VAL A 56 10.853 8.582 6.324 1.00 0.00 O ATOM 850 CB VAL A 56 8.081 8.929 7.822 1.00 0.00 C ATOM 851 CG1 VAL A 56 7.614 10.108 8.661 1.00 0.00 C ATOM 852 CG2 VAL A 56 6.959 7.918 7.638 1.00 0.00 C ATOM 0 H VAL A 56 6.617 9.193 5.819 1.00 0.00 H new ATOM 0 HA VAL A 56 9.032 10.405 6.568 1.00 0.00 H new ATOM 0 HB VAL A 56 8.898 8.439 8.351 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.249 9.748 9.623 1.00 0.00 H new ATOM 0 HG12 VAL A 56 8.447 10.793 8.822 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.811 10.630 8.140 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.602 7.589 8.614 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.139 8.380 7.088 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.331 7.059 7.080 1.00 0.00 H new ATOM 862 N GLY A 57 9.280 7.479 5.153 1.00 0.00 N ATOM 863 CA GLY A 57 10.224 6.510 4.630 1.00 0.00 C ATOM 864 C GLY A 57 9.948 5.104 5.126 1.00 0.00 C ATOM 865 O GLY A 57 10.476 4.134 4.585 1.00 0.00 O ATOM 0 H GLY A 57 8.317 7.348 4.845 1.00 0.00 H new ATOM 0 HA2 GLY A 57 10.186 6.522 3.541 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.235 6.801 4.916 1.00 0.00 H new ATOM 869 N GLN A 58 9.118 4.996 6.159 1.00 0.00 N ATOM 870 CA GLN A 58 8.775 3.699 6.729 1.00 0.00 C ATOM 871 C GLN A 58 7.961 2.868 5.742 1.00 0.00 C ATOM 872 O GLN A 58 6.863 3.258 5.344 1.00 0.00 O ATOM 873 CB GLN A 58 7.990 3.881 8.029 1.00 0.00 C ATOM 874 CG GLN A 58 8.873 4.026 9.258 1.00 0.00 C ATOM 875 CD GLN A 58 8.202 3.526 10.522 1.00 0.00 C ATOM 876 OE1 GLN A 58 8.459 2.410 10.975 1.00 0.00 O ATOM 877 NE2 GLN A 58 7.335 4.350 11.099 1.00 0.00 N ATOM 0 H GLN A 58 8.671 5.790 6.617 1.00 0.00 H new ATOM 0 HA GLN A 58 9.703 3.169 6.944 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.357 4.764 7.941 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.328 3.026 8.166 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.800 3.475 9.101 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.143 5.074 9.385 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.152 5.266 10.690 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.852 4.067 11.952 1.00 0.00 H new ATOM 886 N VAL A 59 8.507 1.721 5.350 1.00 0.00 N ATOM 887 CA VAL A 59 7.831 0.835 4.410 1.00 0.00 C ATOM 888 C VAL A 59 7.638 -0.554 5.006 1.00 0.00 C ATOM 889 O VAL A 59 8.587 -1.176 5.481 1.00 0.00 O ATOM 890 CB VAL A 59 8.618 0.711 3.091 1.00 0.00 C ATOM 891 CG1 VAL A 59 10.104 0.550 3.370 1.00 0.00 C ATOM 892 CG2 VAL A 59 8.092 -0.453 2.266 1.00 0.00 C ATOM 0 H VAL A 59 9.415 1.384 5.669 1.00 0.00 H new ATOM 0 HA VAL A 59 6.856 1.277 4.203 1.00 0.00 H new ATOM 0 HB VAL A 59 8.478 1.626 2.516 1.00 0.00 H new ATOM 0 HG11 VAL A 59 10.644 0.464 2.427 1.00 0.00 H new ATOM 0 HG12 VAL A 59 10.468 1.419 3.918 1.00 0.00 H new ATOM 0 HG13 VAL A 59 10.267 -0.349 3.965 1.00 0.00 H new ATOM 0 HG21 VAL A 59 8.659 -0.527 1.338 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.201 -1.378 2.832 1.00 0.00 H new ATOM 0 HG23 VAL A 59 7.039 -0.290 2.036 1.00 0.00 H new ATOM 902 N GLY A 60 6.399 -1.037 4.978 1.00 0.00 N ATOM 903 CA GLY A 60 6.103 -2.351 5.519 1.00 0.00 C ATOM 904 C GLY A 60 5.045 -3.083 4.717 1.00 0.00 C ATOM 905 O GLY A 60 4.909 -2.867 3.513 1.00 0.00 O ATOM 0 H GLY A 60 5.596 -0.542 4.591 1.00 0.00 H new ATOM 0 HA2 GLY A 60 7.016 -2.946 5.539 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.766 -2.248 6.551 1.00 0.00 H new ATOM 909 N TYR A 61 4.295 -3.952 5.385 1.00 0.00 N ATOM 910 CA TYR A 61 3.247 -4.722 4.726 1.00 0.00 C ATOM 911 C TYR A 61 1.866 -4.179 5.082 1.00 0.00 C ATOM 912 O TYR A 61 1.607 -3.812 6.228 1.00 0.00 O ATOM 913 CB TYR A 61 3.344 -6.197 5.119 1.00 0.00 C ATOM 914 CG TYR A 61 4.629 -6.858 4.676 1.00 0.00 C ATOM 915 CD1 TYR A 61 5.098 -6.711 3.376 1.00 0.00 C ATOM 916 CD2 TYR A 61 5.376 -7.629 5.558 1.00 0.00 C ATOM 917 CE1 TYR A 61 6.271 -7.314 2.967 1.00 0.00 C ATOM 918 CE2 TYR A 61 6.552 -8.235 5.158 1.00 0.00 C ATOM 919 CZ TYR A 61 6.995 -8.075 3.862 1.00 0.00 C ATOM 920 OH TYR A 61 8.165 -8.676 3.459 1.00 0.00 O ATOM 0 H TYR A 61 4.393 -4.141 6.383 1.00 0.00 H new ATOM 0 HA TYR A 61 3.387 -4.630 3.649 1.00 0.00 H new ATOM 0 HB2 TYR A 61 3.256 -6.282 6.202 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.500 -6.736 4.687 1.00 0.00 H new ATOM 0 HD1 TYR A 61 4.535 -6.115 2.673 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.032 -7.757 6.574 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.620 -7.191 1.952 1.00 0.00 H new ATOM 0 HE2 TYR A 61 7.121 -8.831 5.857 1.00 0.00 H new ATOM 0 HH TYR A 61 8.552 -9.174 4.209 1.00 0.00 H new ATOM 930 N VAL A 62 0.982 -4.131 4.091 1.00 0.00 N ATOM 931 CA VAL A 62 -0.373 -3.635 4.298 1.00 0.00 C ATOM 932 C VAL A 62 -1.354 -4.299 3.338 1.00 0.00 C ATOM 933 O VAL A 62 -1.007 -4.676 2.219 1.00 0.00 O ATOM 934 CB VAL A 62 -0.446 -2.108 4.114 1.00 0.00 C ATOM 935 CG1 VAL A 62 0.353 -1.400 5.198 1.00 0.00 C ATOM 936 CG2 VAL A 62 0.051 -1.713 2.731 1.00 0.00 C ATOM 0 H VAL A 62 1.180 -4.430 3.136 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.648 -3.883 5.323 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.487 -1.799 4.203 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.290 -0.322 5.051 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.053 -1.658 6.176 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.396 -1.713 5.144 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.008 -0.630 2.619 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.085 -2.035 2.611 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.568 -2.191 1.972 1.00 0.00 H new ATOM 946 N PRO A 63 -2.611 -4.445 3.784 1.00 0.00 N ATOM 947 CA PRO A 63 -3.669 -5.063 2.979 1.00 0.00 C ATOM 948 C PRO A 63 -4.085 -4.191 1.800 1.00 0.00 C ATOM 949 O PRO A 63 -4.744 -3.166 1.976 1.00 0.00 O ATOM 950 CB PRO A 63 -4.827 -5.211 3.970 1.00 0.00 C ATOM 951 CG PRO A 63 -4.588 -4.154 4.992 1.00 0.00 C ATOM 952 CD PRO A 63 -3.095 -4.019 5.107 1.00 0.00 C ATOM 0 HA PRO A 63 -3.346 -6.005 2.535 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.790 -5.075 3.477 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.837 -6.203 4.421 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -5.043 -3.210 4.691 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -5.030 -4.430 5.949 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.800 -2.994 5.332 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.695 -4.647 5.903 1.00 0.00 H new ATOM 960 N GLU A 64 -3.696 -4.604 0.598 1.00 0.00 N ATOM 961 CA GLU A 64 -4.029 -3.858 -0.610 1.00 0.00 C ATOM 962 C GLU A 64 -5.493 -3.429 -0.598 1.00 0.00 C ATOM 963 O GLU A 64 -5.827 -2.307 -0.980 1.00 0.00 O ATOM 964 CB GLU A 64 -3.744 -4.704 -1.853 1.00 0.00 C ATOM 965 CG GLU A 64 -3.551 -3.882 -3.117 1.00 0.00 C ATOM 966 CD GLU A 64 -3.769 -4.694 -4.379 1.00 0.00 C ATOM 967 OE1 GLU A 64 -3.597 -5.930 -4.327 1.00 0.00 O ATOM 968 OE2 GLU A 64 -4.113 -4.094 -5.419 1.00 0.00 O ATOM 0 H GLU A 64 -3.150 -5.450 0.435 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.407 -2.964 -0.637 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.849 -5.302 -1.678 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.568 -5.401 -2.005 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.243 -3.040 -3.107 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.543 -3.467 -3.126 1.00 0.00 H new ATOM 975 N LYS A 65 -6.364 -4.330 -0.157 1.00 0.00 N ATOM 976 CA LYS A 65 -7.793 -4.047 -0.094 1.00 0.00 C ATOM 977 C LYS A 65 -8.048 -2.660 0.486 1.00 0.00 C ATOM 978 O LYS A 65 -8.873 -1.903 -0.028 1.00 0.00 O ATOM 979 CB LYS A 65 -8.506 -5.104 0.753 1.00 0.00 C ATOM 980 CG LYS A 65 -8.344 -6.519 0.223 1.00 0.00 C ATOM 981 CD LYS A 65 -9.486 -7.416 0.670 1.00 0.00 C ATOM 982 CE LYS A 65 -9.421 -7.700 2.162 1.00 0.00 C ATOM 983 NZ LYS A 65 -8.398 -8.733 2.486 1.00 0.00 N ATOM 0 H LYS A 65 -6.105 -5.263 0.162 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.189 -4.075 -1.109 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -8.122 -5.061 1.772 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.568 -4.863 0.802 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.302 -6.498 -0.866 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.398 -6.933 0.571 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -10.438 -6.942 0.430 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.450 -8.355 0.118 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.189 -6.779 2.697 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.398 -8.034 2.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.385 -8.898 3.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.633 -9.620 1.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.462 -8.403 2.176 1.00 0.00 H new ATOM 997 N TYR A 66 -7.334 -2.331 1.557 1.00 0.00 N ATOM 998 CA TYR A 66 -7.484 -1.035 2.207 1.00 0.00 C ATOM 999 C TYR A 66 -7.002 0.090 1.296 1.00 0.00 C ATOM 1000 O TYR A 66 -7.550 1.193 1.308 1.00 0.00 O ATOM 1001 CB TYR A 66 -6.707 -1.008 3.524 1.00 0.00 C ATOM 1002 CG TYR A 66 -7.379 -1.777 4.639 1.00 0.00 C ATOM 1003 CD1 TYR A 66 -7.892 -3.049 4.421 1.00 0.00 C ATOM 1004 CD2 TYR A 66 -7.502 -1.230 5.911 1.00 0.00 C ATOM 1005 CE1 TYR A 66 -8.508 -3.755 5.437 1.00 0.00 C ATOM 1006 CE2 TYR A 66 -8.115 -1.929 6.932 1.00 0.00 C ATOM 1007 CZ TYR A 66 -8.616 -3.191 6.691 1.00 0.00 C ATOM 1008 OH TYR A 66 -9.229 -3.890 7.705 1.00 0.00 O ATOM 0 H TYR A 66 -6.646 -2.944 1.993 1.00 0.00 H new ATOM 0 HA TYR A 66 -8.543 -0.882 2.415 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -5.712 -1.421 3.358 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -6.574 0.028 3.837 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -7.808 -3.494 3.441 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -7.112 -0.242 6.104 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -8.903 -4.743 5.250 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -8.202 -1.489 7.915 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.221 -3.352 8.524 1.00 0.00 H new ATOM 1018 N LEU A 67 -5.972 -0.197 0.507 1.00 0.00 N ATOM 1019 CA LEU A 67 -5.415 0.789 -0.412 1.00 0.00 C ATOM 1020 C LEU A 67 -6.355 1.029 -1.589 1.00 0.00 C ATOM 1021 O LEU A 67 -7.211 0.199 -1.891 1.00 0.00 O ATOM 1022 CB LEU A 67 -4.049 0.325 -0.922 1.00 0.00 C ATOM 1023 CG LEU A 67 -2.994 0.041 0.148 1.00 0.00 C ATOM 1024 CD1 LEU A 67 -1.682 -0.381 -0.494 1.00 0.00 C ATOM 1025 CD2 LEU A 67 -2.788 1.263 1.032 1.00 0.00 C ATOM 0 H LEU A 67 -5.506 -1.104 0.485 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.295 1.727 0.130 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.192 -0.580 -1.512 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.658 1.086 -1.597 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.350 -0.779 0.772 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.944 -0.579 0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.839 -1.284 -1.083 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.321 0.417 -1.143 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.034 1.043 1.788 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.455 2.102 0.421 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.727 1.521 1.521 1.00 0.00 H new ATOM 1037 N GLN A 68 -6.186 2.170 -2.251 1.00 0.00 N ATOM 1038 CA GLN A 68 -7.019 2.518 -3.396 1.00 0.00 C ATOM 1039 C GLN A 68 -6.164 2.780 -4.631 1.00 0.00 C ATOM 1040 O GLN A 68 -5.829 3.925 -4.936 1.00 0.00 O ATOM 1041 CB GLN A 68 -7.870 3.749 -3.079 1.00 0.00 C ATOM 1042 CG GLN A 68 -8.910 4.060 -4.144 1.00 0.00 C ATOM 1043 CD GLN A 68 -10.092 3.111 -4.100 1.00 0.00 C ATOM 1044 OE1 GLN A 68 -9.946 1.935 -3.767 1.00 0.00 O ATOM 1045 NE2 GLN A 68 -11.271 3.619 -4.438 1.00 0.00 N ATOM 0 H GLN A 68 -5.481 2.868 -2.014 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.677 1.675 -3.605 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.374 3.596 -2.125 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.215 4.612 -2.959 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -9.265 5.082 -4.013 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -8.444 4.008 -5.128 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.345 4.600 -4.707 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -12.103 3.028 -4.428 1.00 0.00 H new ATOM 1054 N PHE A 69 -5.813 1.712 -5.340 1.00 0.00 N ATOM 1055 CA PHE A 69 -4.996 1.827 -6.542 1.00 0.00 C ATOM 1056 C PHE A 69 -5.675 2.717 -7.579 1.00 0.00 C ATOM 1057 O PHE A 69 -6.897 2.861 -7.605 1.00 0.00 O ATOM 1058 CB PHE A 69 -4.729 0.443 -7.137 1.00 0.00 C ATOM 1059 CG PHE A 69 -3.651 -0.320 -6.422 1.00 0.00 C ATOM 1060 CD1 PHE A 69 -3.744 -0.565 -5.062 1.00 0.00 C ATOM 1061 CD2 PHE A 69 -2.544 -0.790 -7.110 1.00 0.00 C ATOM 1062 CE1 PHE A 69 -2.753 -1.267 -4.400 1.00 0.00 C ATOM 1063 CE2 PHE A 69 -1.551 -1.493 -6.454 1.00 0.00 C ATOM 1064 CZ PHE A 69 -1.655 -1.731 -5.097 1.00 0.00 C ATOM 0 H PHE A 69 -6.082 0.757 -5.103 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.047 2.284 -6.263 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -5.651 -0.138 -7.113 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -4.450 0.555 -8.185 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -4.600 -0.204 -4.512 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -2.456 -0.605 -8.170 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -2.838 -1.452 -3.339 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.694 -1.856 -7.002 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.879 -2.279 -4.583 1.00 0.00 H new ATOM 1074 N PRO A 70 -4.864 3.329 -8.455 1.00 0.00 N ATOM 1075 CA PRO A 70 -5.364 4.215 -9.510 1.00 0.00 C ATOM 1076 C PRO A 70 -6.123 3.456 -10.594 1.00 0.00 C ATOM 1077 O PRO A 70 -6.014 2.234 -10.703 1.00 0.00 O ATOM 1078 CB PRO A 70 -4.088 4.836 -10.086 1.00 0.00 C ATOM 1079 CG PRO A 70 -3.017 3.844 -9.788 1.00 0.00 C ATOM 1080 CD PRO A 70 -3.397 3.202 -8.483 1.00 0.00 C ATOM 0 HA PRO A 70 -6.075 4.946 -9.125 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.181 5.009 -11.158 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -3.874 5.800 -9.625 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -2.943 3.100 -10.581 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -2.044 4.330 -9.715 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.083 2.159 -8.442 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.934 3.708 -7.636 1.00 0.00 H new