USER MOD reduce.3.24.130724 H: found=0, std=0, add=442, rem=0, adj=14 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 30:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot -60:sc= -1.73 USER MOD Single : A 17 LYS NZ :NH3+ -149:sc= 0 (180deg=-1.44) 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 -145:sc= 0.511 USER MOD Single : A 23 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.797) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.13) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.922 USER MOD Single : A 35 HIS : no HD1:sc= -3.15! C(o=-3.2!,f=-4.6!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -6.53! C(o=-6.5!,f=-20!) USER MOD Single : A 55 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.044) USER MOD Single : A 58 GLN : amide:sc= -0.152 X(o=-0.15,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 142:sc= -0.278 (180deg=-1.78!) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -1.25 K(o=-1.2,f=-6.3!) USER MOD ----------------------------------------------------------------- ATOM 137 N TYR A 12 4.427 -1.426 -10.819 1.00 0.00 N ATOM 138 CA TYR A 12 5.034 -0.685 -9.721 1.00 0.00 C ATOM 139 C TYR A 12 6.163 0.209 -10.225 1.00 0.00 C ATOM 140 O TYR A 12 6.815 -0.077 -11.230 1.00 0.00 O ATOM 141 CB TYR A 12 5.568 -1.649 -8.661 1.00 0.00 C ATOM 142 CG TYR A 12 4.515 -2.584 -8.108 1.00 0.00 C ATOM 143 CD1 TYR A 12 3.163 -2.289 -8.230 1.00 0.00 C ATOM 144 CD2 TYR A 12 4.874 -3.762 -7.464 1.00 0.00 C ATOM 145 CE1 TYR A 12 2.199 -3.140 -7.725 1.00 0.00 C ATOM 146 CE2 TYR A 12 3.916 -4.619 -6.958 1.00 0.00 C ATOM 147 CZ TYR A 12 2.580 -4.304 -7.091 1.00 0.00 C ATOM 148 OH TYR A 12 1.622 -5.154 -6.588 1.00 0.00 O ATOM 0 HA TYR A 12 4.266 -0.053 -9.275 1.00 0.00 H new ATOM 0 HB2 TYR A 12 6.376 -2.240 -9.093 1.00 0.00 H new ATOM 0 HB3 TYR A 12 5.997 -1.073 -7.841 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.861 -1.380 -8.728 1.00 0.00 H new ATOM 0 HD2 TYR A 12 5.919 -4.012 -7.357 1.00 0.00 H new ATOM 0 HE1 TYR A 12 1.152 -2.895 -7.826 1.00 0.00 H new ATOM 0 HE2 TYR A 12 4.212 -5.531 -6.461 1.00 0.00 H new ATOM 0 HH TYR A 12 0.807 -5.084 -7.128 1.00 0.00 H new ATOM 158 N PRO A 13 6.401 1.320 -9.511 1.00 0.00 N ATOM 159 CA PRO A 13 5.631 1.671 -8.314 1.00 0.00 C ATOM 160 C PRO A 13 4.197 2.073 -8.644 1.00 0.00 C ATOM 161 O PRO A 13 3.906 2.514 -9.757 1.00 0.00 O ATOM 162 CB PRO A 13 6.400 2.862 -7.735 1.00 0.00 C ATOM 163 CG PRO A 13 7.103 3.463 -8.903 1.00 0.00 C ATOM 164 CD PRO A 13 7.439 2.318 -9.818 1.00 0.00 C ATOM 0 HA PRO A 13 5.539 0.830 -7.627 1.00 0.00 H new ATOM 0 HB2 PRO A 13 5.725 3.579 -7.267 1.00 0.00 H new ATOM 0 HB3 PRO A 13 7.107 2.542 -6.969 1.00 0.00 H new ATOM 0 HG2 PRO A 13 6.469 4.192 -9.407 1.00 0.00 H new ATOM 0 HG3 PRO A 13 8.005 3.988 -8.588 1.00 0.00 H new ATOM 0 HD2 PRO A 13 7.410 2.619 -10.865 1.00 0.00 H new ATOM 0 HD3 PRO A 13 8.439 1.930 -9.625 1.00 0.00 H new ATOM 172 N LEU A 14 3.306 1.918 -7.672 1.00 0.00 N ATOM 173 CA LEU A 14 1.901 2.265 -7.859 1.00 0.00 C ATOM 174 C LEU A 14 1.390 3.110 -6.697 1.00 0.00 C ATOM 175 O LEU A 14 1.293 2.636 -5.564 1.00 0.00 O ATOM 176 CB LEU A 14 1.056 0.997 -7.993 1.00 0.00 C ATOM 177 CG LEU A 14 1.007 0.368 -9.386 1.00 0.00 C ATOM 178 CD1 LEU A 14 0.312 -0.984 -9.337 1.00 0.00 C ATOM 179 CD2 LEU A 14 0.303 1.296 -10.366 1.00 0.00 C ATOM 0 H LEU A 14 3.531 1.554 -6.746 1.00 0.00 H new ATOM 0 HA LEU A 14 1.815 2.850 -8.775 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.439 0.254 -7.294 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.037 1.229 -7.685 1.00 0.00 H new ATOM 0 HG LEU A 14 2.030 0.216 -9.731 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.287 -1.416 -10.337 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.857 -1.649 -8.668 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.707 -0.856 -8.971 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.277 0.832 -11.352 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.716 1.480 -10.025 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.843 2.241 -10.424 1.00 0.00 H new ATOM 191 N THR A 15 1.061 4.366 -6.984 1.00 0.00 N ATOM 192 CA THR A 15 0.558 5.277 -5.964 1.00 0.00 C ATOM 193 C THR A 15 -0.883 4.946 -5.593 1.00 0.00 C ATOM 194 O THR A 15 -1.746 4.827 -6.463 1.00 0.00 O ATOM 195 CB THR A 15 0.631 6.742 -6.435 1.00 0.00 C ATOM 196 OG1 THR A 15 1.757 6.923 -7.300 1.00 0.00 O ATOM 197 CG2 THR A 15 0.741 7.687 -5.247 1.00 0.00 C ATOM 0 H THR A 15 1.134 4.775 -7.915 1.00 0.00 H new ATOM 0 HA THR A 15 1.194 5.152 -5.087 1.00 0.00 H new ATOM 0 HB THR A 15 -0.285 6.972 -6.979 1.00 0.00 H new ATOM 0 HG1 THR A 15 1.795 7.856 -7.596 1.00 0.00 H new ATOM 0 HG21 THR A 15 0.791 8.716 -5.604 1.00 0.00 H new ATOM 0 HG22 THR A 15 -0.132 7.568 -4.605 1.00 0.00 H new ATOM 0 HG23 THR A 15 1.643 7.455 -4.680 1.00 0.00 H new ATOM 205 N CYS A 16 -1.136 4.799 -4.297 1.00 0.00 N ATOM 206 CA CYS A 16 -2.473 4.480 -3.811 1.00 0.00 C ATOM 207 C CYS A 16 -2.928 5.496 -2.768 1.00 0.00 C ATOM 208 O CYS A 16 -2.144 6.329 -2.313 1.00 0.00 O ATOM 209 CB CYS A 16 -2.500 3.072 -3.215 1.00 0.00 C ATOM 210 SG CYS A 16 -1.155 2.736 -2.055 1.00 0.00 S ATOM 0 H CYS A 16 -0.433 4.896 -3.564 1.00 0.00 H new ATOM 0 HA CYS A 16 -3.160 4.521 -4.656 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.451 2.923 -2.704 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.456 2.345 -4.026 1.00 0.00 H new ATOM 0 HG CYS A 16 -0.014 2.870 -2.663 1.00 0.00 H new ATOM 216 N LYS A 17 -4.201 5.422 -2.393 1.00 0.00 N ATOM 217 CA LYS A 17 -4.762 6.335 -1.404 1.00 0.00 C ATOM 218 C LYS A 17 -5.449 5.564 -0.281 1.00 0.00 C ATOM 219 O LYS A 17 -6.486 4.935 -0.491 1.00 0.00 O ATOM 220 CB LYS A 17 -5.760 7.288 -2.067 1.00 0.00 C ATOM 221 CG LYS A 17 -6.516 8.159 -1.080 1.00 0.00 C ATOM 222 CD LYS A 17 -5.738 9.419 -0.738 1.00 0.00 C ATOM 223 CE LYS A 17 -6.057 10.551 -1.702 1.00 0.00 C ATOM 224 NZ LYS A 17 -5.057 11.651 -1.616 1.00 0.00 N ATOM 0 H LYS A 17 -4.864 4.739 -2.759 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.944 6.915 -0.976 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.226 7.928 -2.769 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.476 6.705 -2.647 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -7.484 8.431 -1.501 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.712 7.593 -0.169 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.975 9.729 0.280 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.669 9.207 -0.766 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.084 10.164 -2.721 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.050 10.945 -1.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.518 12.557 -1.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.661 11.686 -0.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.292 11.479 -2.300 1.00 0.00 H new ATOM 238 N VAL A 18 -4.865 5.619 0.912 1.00 0.00 N ATOM 239 CA VAL A 18 -5.423 4.929 2.068 1.00 0.00 C ATOM 240 C VAL A 18 -6.773 5.516 2.461 1.00 0.00 C ATOM 241 O VAL A 18 -6.858 6.657 2.916 1.00 0.00 O ATOM 242 CB VAL A 18 -4.472 5.003 3.278 1.00 0.00 C ATOM 243 CG1 VAL A 18 -5.069 4.274 4.472 1.00 0.00 C ATOM 244 CG2 VAL A 18 -3.109 4.429 2.920 1.00 0.00 C ATOM 0 H VAL A 18 -4.006 6.134 1.103 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.554 3.886 1.780 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.340 6.050 3.551 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -4.383 4.337 5.317 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.020 4.734 4.741 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.233 3.227 4.215 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.450 4.489 3.786 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.220 3.387 2.621 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.679 4.999 2.097 1.00 0.00 H new ATOM 254 N VAL A 19 -7.830 4.729 2.282 1.00 0.00 N ATOM 255 CA VAL A 19 -9.178 5.170 2.618 1.00 0.00 C ATOM 256 C VAL A 19 -9.607 4.635 3.980 1.00 0.00 C ATOM 257 O VAL A 19 -10.405 5.259 4.680 1.00 0.00 O ATOM 258 CB VAL A 19 -10.198 4.719 1.557 1.00 0.00 C ATOM 259 CG1 VAL A 19 -10.229 5.700 0.395 1.00 0.00 C ATOM 260 CG2 VAL A 19 -9.874 3.314 1.070 1.00 0.00 C ATOM 0 H VAL A 19 -7.778 3.782 1.906 1.00 0.00 H new ATOM 0 HA VAL A 19 -9.156 6.259 2.649 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.188 4.702 2.014 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -10.956 5.365 -0.345 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -10.512 6.687 0.760 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -9.242 5.752 -0.064 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -10.605 3.011 0.320 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -8.877 3.302 0.630 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.908 2.621 1.910 1.00 0.00 H new ATOM 270 N TYR A 20 -9.072 3.477 4.349 1.00 0.00 N ATOM 271 CA TYR A 20 -9.401 2.856 5.627 1.00 0.00 C ATOM 272 C TYR A 20 -8.173 2.784 6.530 1.00 0.00 C ATOM 273 O TYR A 20 -7.169 2.162 6.184 1.00 0.00 O ATOM 274 CB TYR A 20 -9.967 1.452 5.405 1.00 0.00 C ATOM 275 CG TYR A 20 -10.976 1.377 4.281 1.00 0.00 C ATOM 276 CD1 TYR A 20 -11.735 2.486 3.927 1.00 0.00 C ATOM 277 CD2 TYR A 20 -11.170 0.197 3.573 1.00 0.00 C ATOM 278 CE1 TYR A 20 -12.658 2.422 2.901 1.00 0.00 C ATOM 279 CE2 TYR A 20 -12.089 0.125 2.545 1.00 0.00 C ATOM 280 CZ TYR A 20 -12.831 1.239 2.213 1.00 0.00 C ATOM 281 OH TYR A 20 -13.749 1.170 1.190 1.00 0.00 O ATOM 0 H TYR A 20 -8.409 2.949 3.782 1.00 0.00 H new ATOM 0 HA TYR A 20 -10.155 3.472 6.118 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -9.146 0.768 5.191 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -10.436 1.108 6.327 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -11.601 3.414 4.463 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -10.592 -0.678 3.831 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -13.241 3.293 2.639 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -12.226 -0.799 2.004 1.00 0.00 H new ATOM 0 HH TYR A 20 -13.747 0.267 0.809 1.00 0.00 H new ATOM 291 N SER A 21 -8.262 3.426 7.691 1.00 0.00 N ATOM 292 CA SER A 21 -7.159 3.439 8.644 1.00 0.00 C ATOM 293 C SER A 21 -6.822 2.024 9.104 1.00 0.00 C ATOM 294 O SER A 21 -7.685 1.146 9.131 1.00 0.00 O ATOM 295 CB SER A 21 -7.510 4.311 9.851 1.00 0.00 C ATOM 296 OG SER A 21 -8.663 3.821 10.515 1.00 0.00 O ATOM 0 H SER A 21 -9.087 3.944 7.994 1.00 0.00 H new ATOM 0 HA SER A 21 -6.285 3.858 8.145 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.669 4.334 10.544 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.682 5.337 9.525 1.00 0.00 H new ATOM 0 HG SER A 21 -8.866 4.394 11.284 1.00 0.00 H new ATOM 302 N TYR A 22 -5.562 1.811 9.465 1.00 0.00 N ATOM 303 CA TYR A 22 -5.109 0.502 9.923 1.00 0.00 C ATOM 304 C TYR A 22 -3.886 0.634 10.824 1.00 0.00 C ATOM 305 O TYR A 22 -2.821 1.073 10.388 1.00 0.00 O ATOM 306 CB TYR A 22 -4.781 -0.393 8.727 1.00 0.00 C ATOM 307 CG TYR A 22 -4.228 -1.745 9.117 1.00 0.00 C ATOM 308 CD1 TYR A 22 -5.037 -2.704 9.713 1.00 0.00 C ATOM 309 CD2 TYR A 22 -2.895 -2.064 8.889 1.00 0.00 C ATOM 310 CE1 TYR A 22 -4.536 -3.940 10.072 1.00 0.00 C ATOM 311 CE2 TYR A 22 -2.384 -3.298 9.243 1.00 0.00 C ATOM 312 CZ TYR A 22 -3.209 -4.232 9.834 1.00 0.00 C ATOM 313 OH TYR A 22 -2.705 -5.463 10.189 1.00 0.00 O ATOM 0 H TYR A 22 -4.836 2.527 9.450 1.00 0.00 H new ATOM 0 HA TYR A 22 -5.915 0.047 10.499 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -5.683 -0.536 8.133 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -4.058 0.116 8.090 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -6.077 -2.479 9.899 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.247 -1.334 8.427 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -5.179 -4.673 10.536 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.345 -3.530 9.058 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.779 -5.362 10.495 1.00 0.00 H new ATOM 323 N LYS A 23 -4.045 0.250 12.086 1.00 0.00 N ATOM 324 CA LYS A 23 -2.955 0.322 13.052 1.00 0.00 C ATOM 325 C LYS A 23 -2.084 -0.928 12.984 1.00 0.00 C ATOM 326 O LYS A 23 -2.522 -2.022 13.340 1.00 0.00 O ATOM 327 CB LYS A 23 -3.511 0.492 14.468 1.00 0.00 C ATOM 328 CG LYS A 23 -2.533 1.143 15.431 1.00 0.00 C ATOM 329 CD LYS A 23 -2.965 0.956 16.876 1.00 0.00 C ATOM 330 CE LYS A 23 -3.980 2.009 17.295 1.00 0.00 C ATOM 331 NZ LYS A 23 -5.370 1.613 16.939 1.00 0.00 N ATOM 0 H LYS A 23 -4.919 -0.115 12.464 1.00 0.00 H new ATOM 0 HA LYS A 23 -2.340 1.187 12.803 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.419 1.094 14.423 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.795 -0.485 14.858 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.541 0.714 15.289 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.456 2.207 15.208 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.396 -0.037 17.002 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.093 1.010 17.528 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -3.913 2.170 18.371 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.738 2.957 16.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.796 2.345 16.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.353 0.709 16.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -5.934 1.508 17.806 1.00 0.00 H new ATOM 345 N ALA A 24 -0.848 -0.759 12.525 1.00 0.00 N ATOM 346 CA ALA A 24 0.085 -1.873 12.414 1.00 0.00 C ATOM 347 C ALA A 24 0.305 -2.542 13.766 1.00 0.00 C ATOM 348 O ALA A 24 0.642 -1.882 14.749 1.00 0.00 O ATOM 349 CB ALA A 24 1.410 -1.396 11.837 1.00 0.00 C ATOM 0 H ALA A 24 -0.470 0.139 12.224 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.348 -2.611 11.739 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.097 -2.238 11.760 1.00 0.00 H new ATOM 0 HB2 ALA A 24 1.244 -0.971 10.847 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.839 -0.636 12.491 1.00 0.00 H new ATOM 355 N SER A 25 0.110 -3.856 13.809 1.00 0.00 N ATOM 356 CA SER A 25 0.283 -4.614 15.043 1.00 0.00 C ATOM 357 C SER A 25 1.664 -5.260 15.095 1.00 0.00 C ATOM 358 O SER A 25 2.287 -5.333 16.154 1.00 0.00 O ATOM 359 CB SER A 25 -0.800 -5.689 15.162 1.00 0.00 C ATOM 360 OG SER A 25 -2.010 -5.141 15.654 1.00 0.00 O ATOM 0 H SER A 25 -0.168 -4.418 13.004 1.00 0.00 H new ATOM 0 HA SER A 25 0.193 -3.922 15.881 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.973 -6.145 14.187 1.00 0.00 H new ATOM 0 HB3 SER A 25 -0.459 -6.481 15.828 1.00 0.00 H new ATOM 0 HG SER A 25 -2.686 -5.847 15.719 1.00 0.00 H new ATOM 366 N GLN A 26 2.136 -5.727 13.943 1.00 0.00 N ATOM 367 CA GLN A 26 3.443 -6.367 13.858 1.00 0.00 C ATOM 368 C GLN A 26 4.515 -5.363 13.447 1.00 0.00 C ATOM 369 O GLN A 26 4.256 -4.403 12.721 1.00 0.00 O ATOM 370 CB GLN A 26 3.403 -7.525 12.858 1.00 0.00 C ATOM 371 CG GLN A 26 2.683 -8.756 13.383 1.00 0.00 C ATOM 372 CD GLN A 26 3.407 -9.404 14.547 1.00 0.00 C ATOM 373 OE1 GLN A 26 3.047 -9.201 15.707 1.00 0.00 O ATOM 374 NE2 GLN A 26 4.433 -10.189 14.243 1.00 0.00 N ATOM 0 H GLN A 26 1.633 -5.674 13.057 1.00 0.00 H new ATOM 0 HA GLN A 26 3.694 -6.756 14.845 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.912 -7.189 11.945 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.424 -7.798 12.589 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.677 -8.478 13.696 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.577 -9.482 12.577 1.00 0.00 H new ATOM 0 HE21 GLN A 26 4.697 -10.329 13.268 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.958 -10.652 14.985 1.00 0.00 H new ATOM 383 N PRO A 27 5.749 -5.586 13.923 1.00 0.00 N ATOM 384 CA PRO A 27 6.886 -4.712 13.619 1.00 0.00 C ATOM 385 C PRO A 27 7.323 -4.815 12.162 1.00 0.00 C ATOM 386 O PRO A 27 8.282 -4.166 11.744 1.00 0.00 O ATOM 387 CB PRO A 27 7.989 -5.228 14.546 1.00 0.00 C ATOM 388 CG PRO A 27 7.633 -6.652 14.803 1.00 0.00 C ATOM 389 CD PRO A 27 6.130 -6.710 14.795 1.00 0.00 C ATOM 0 HA PRO A 27 6.642 -3.660 13.769 1.00 0.00 H new ATOM 0 HB2 PRO A 27 8.970 -5.143 14.079 1.00 0.00 H new ATOM 0 HB3 PRO A 27 8.027 -4.656 15.473 1.00 0.00 H new ATOM 0 HG2 PRO A 27 8.053 -7.304 14.037 1.00 0.00 H new ATOM 0 HG3 PRO A 27 8.032 -6.987 15.760 1.00 0.00 H new ATOM 0 HD2 PRO A 27 5.767 -7.661 14.406 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.718 -6.598 15.798 1.00 0.00 H new ATOM 397 N ASP A 28 6.614 -5.635 11.393 1.00 0.00 N ATOM 398 CA ASP A 28 6.928 -5.822 9.981 1.00 0.00 C ATOM 399 C ASP A 28 5.848 -5.205 9.098 1.00 0.00 C ATOM 400 O ASP A 28 5.943 -5.238 7.872 1.00 0.00 O ATOM 401 CB ASP A 28 7.076 -7.311 9.663 1.00 0.00 C ATOM 402 CG ASP A 28 8.442 -7.850 10.040 1.00 0.00 C ATOM 403 OD1 ASP A 28 9.080 -7.270 10.944 1.00 0.00 O ATOM 404 OD2 ASP A 28 8.874 -8.851 9.431 1.00 0.00 O ATOM 0 H ASP A 28 5.818 -6.181 11.724 1.00 0.00 H new ATOM 0 HA ASP A 28 7.872 -5.319 9.774 1.00 0.00 H new ATOM 0 HB2 ASP A 28 6.308 -7.871 10.196 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.907 -7.471 8.598 1.00 0.00 H new ATOM 409 N GLU A 29 4.821 -4.645 9.730 1.00 0.00 N ATOM 410 CA GLU A 29 3.723 -4.023 9.001 1.00 0.00 C ATOM 411 C GLU A 29 3.961 -2.525 8.832 1.00 0.00 C ATOM 412 O GLU A 29 4.986 -1.996 9.263 1.00 0.00 O ATOM 413 CB GLU A 29 2.398 -4.261 9.729 1.00 0.00 C ATOM 414 CG GLU A 29 1.727 -5.573 9.357 1.00 0.00 C ATOM 415 CD GLU A 29 0.782 -6.070 10.434 1.00 0.00 C ATOM 416 OE1 GLU A 29 0.130 -5.229 11.087 1.00 0.00 O ATOM 417 OE2 GLU A 29 0.695 -7.302 10.623 1.00 0.00 O ATOM 0 H GLU A 29 4.727 -4.610 10.745 1.00 0.00 H new ATOM 0 HA GLU A 29 3.673 -4.479 8.012 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.576 -4.246 10.804 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.718 -3.439 9.507 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.175 -5.444 8.426 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.491 -6.328 9.172 1.00 0.00 H new ATOM 424 N LEU A 30 3.007 -1.848 8.202 1.00 0.00 N ATOM 425 CA LEU A 30 3.112 -0.411 7.975 1.00 0.00 C ATOM 426 C LEU A 30 1.872 0.313 8.490 1.00 0.00 C ATOM 427 O LEU A 30 0.769 0.120 7.978 1.00 0.00 O ATOM 428 CB LEU A 30 3.303 -0.123 6.485 1.00 0.00 C ATOM 429 CG LEU A 30 4.082 1.147 6.141 1.00 0.00 C ATOM 430 CD1 LEU A 30 3.261 2.383 6.472 1.00 0.00 C ATOM 431 CD2 LEU A 30 5.412 1.173 6.881 1.00 0.00 C ATOM 0 H LEU A 30 2.153 -2.271 7.840 1.00 0.00 H new ATOM 0 HA LEU A 30 3.979 -0.043 8.524 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.815 -0.973 6.034 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.320 -0.060 6.019 1.00 0.00 H new ATOM 0 HG LEU A 30 4.285 1.148 5.070 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.832 3.277 6.220 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.335 2.370 5.897 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.027 2.390 7.536 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.953 2.084 6.625 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.231 1.149 7.956 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.005 0.305 6.593 1.00 0.00 H new ATOM 443 N THR A 31 2.061 1.150 9.505 1.00 0.00 N ATOM 444 CA THR A 31 0.960 1.905 10.089 1.00 0.00 C ATOM 445 C THR A 31 0.447 2.966 9.122 1.00 0.00 C ATOM 446 O THR A 31 1.128 3.956 8.853 1.00 0.00 O ATOM 447 CB THR A 31 1.381 2.586 11.405 1.00 0.00 C ATOM 448 OG1 THR A 31 1.836 1.604 12.342 1.00 0.00 O ATOM 449 CG2 THR A 31 0.221 3.368 12.004 1.00 0.00 C ATOM 0 H THR A 31 2.967 1.322 9.940 1.00 0.00 H new ATOM 0 HA THR A 31 0.163 1.191 10.297 1.00 0.00 H new ATOM 0 HB THR A 31 2.192 3.280 11.186 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.103 2.046 13.175 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.542 3.840 12.933 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.103 4.135 11.300 1.00 0.00 H new ATOM 0 HG23 THR A 31 -0.608 2.690 12.209 1.00 0.00 H new ATOM 457 N ILE A 32 -0.758 2.753 8.603 1.00 0.00 N ATOM 458 CA ILE A 32 -1.362 3.693 7.667 1.00 0.00 C ATOM 459 C ILE A 32 -2.515 4.451 8.316 1.00 0.00 C ATOM 460 O ILE A 32 -2.960 4.105 9.410 1.00 0.00 O ATOM 461 CB ILE A 32 -1.879 2.977 6.405 1.00 0.00 C ATOM 462 CG1 ILE A 32 -2.942 1.942 6.779 1.00 0.00 C ATOM 463 CG2 ILE A 32 -0.728 2.317 5.661 1.00 0.00 C ATOM 464 CD1 ILE A 32 -3.476 1.169 5.593 1.00 0.00 C ATOM 0 H ILE A 32 -1.334 1.939 8.815 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.582 4.399 7.381 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.335 3.717 5.747 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.518 1.241 7.498 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.770 2.447 7.276 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.110 1.815 4.772 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.003 3.075 5.367 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.246 1.587 6.311 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.225 0.454 5.932 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.930 1.860 4.883 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.658 0.636 5.108 1.00 0.00 H new ATOM 476 N GLU A 33 -2.996 5.485 7.633 1.00 0.00 N ATOM 477 CA GLU A 33 -4.099 6.290 8.144 1.00 0.00 C ATOM 478 C GLU A 33 -4.897 6.909 6.999 1.00 0.00 C ATOM 479 O GLU A 33 -4.331 7.320 5.986 1.00 0.00 O ATOM 480 CB GLU A 33 -3.571 7.392 9.065 1.00 0.00 C ATOM 481 CG GLU A 33 -3.493 6.978 10.525 1.00 0.00 C ATOM 482 CD GLU A 33 -3.085 8.121 11.434 1.00 0.00 C ATOM 483 OE1 GLU A 33 -3.619 9.236 11.263 1.00 0.00 O ATOM 484 OE2 GLU A 33 -2.231 7.899 12.318 1.00 0.00 O ATOM 0 H GLU A 33 -2.640 5.785 6.725 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.760 5.636 8.713 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.579 7.692 8.727 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.215 8.267 8.978 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.463 6.595 10.842 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.778 6.162 10.630 1.00 0.00 H new ATOM 491 N GLU A 34 -6.214 6.970 7.169 1.00 0.00 N ATOM 492 CA GLU A 34 -7.089 7.537 6.149 1.00 0.00 C ATOM 493 C GLU A 34 -6.484 8.807 5.558 1.00 0.00 C ATOM 494 O GLU A 34 -5.870 9.605 6.268 1.00 0.00 O ATOM 495 CB GLU A 34 -8.467 7.842 6.741 1.00 0.00 C ATOM 496 CG GLU A 34 -9.477 8.325 5.713 1.00 0.00 C ATOM 497 CD GLU A 34 -10.818 8.670 6.331 1.00 0.00 C ATOM 498 OE1 GLU A 34 -11.576 7.735 6.665 1.00 0.00 O ATOM 499 OE2 GLU A 34 -11.110 9.875 6.481 1.00 0.00 O ATOM 0 H GLU A 34 -6.698 6.634 8.002 1.00 0.00 H new ATOM 0 HA GLU A 34 -7.199 6.803 5.351 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.853 6.944 7.223 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.360 8.600 7.517 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.080 9.203 5.203 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.618 7.553 4.956 1.00 0.00 H new ATOM 506 N HIS A 35 -6.662 8.989 4.254 1.00 0.00 N ATOM 507 CA HIS A 35 -6.135 10.162 3.566 1.00 0.00 C ATOM 508 C HIS A 35 -4.609 10.154 3.569 1.00 0.00 C ATOM 509 O HIS A 35 -3.975 11.139 3.946 1.00 0.00 O ATOM 510 CB HIS A 35 -6.651 11.441 4.226 1.00 0.00 C ATOM 511 CG HIS A 35 -8.143 11.498 4.337 1.00 0.00 C ATOM 512 ND1 HIS A 35 -8.985 11.315 3.260 1.00 0.00 N ATOM 513 CD2 HIS A 35 -8.944 11.718 5.406 1.00 0.00 C ATOM 514 CE1 HIS A 35 -10.239 11.421 3.662 1.00 0.00 C ATOM 515 NE2 HIS A 35 -10.242 11.665 4.960 1.00 0.00 N ATOM 0 H HIS A 35 -7.167 8.339 3.652 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.479 10.131 2.532 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.217 11.526 5.222 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -6.304 12.301 3.653 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.622 11.901 6.421 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -11.113 11.324 3.035 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -11.073 11.793 5.537 1.00 0.00 H new ATOM 524 N GLU A 36 -4.027 9.035 3.149 1.00 0.00 N ATOM 525 CA GLU A 36 -2.576 8.899 3.105 1.00 0.00 C ATOM 526 C GLU A 36 -2.126 8.287 1.782 1.00 0.00 C ATOM 527 O GLU A 36 -2.449 7.140 1.474 1.00 0.00 O ATOM 528 CB GLU A 36 -2.088 8.036 4.271 1.00 0.00 C ATOM 529 CG GLU A 36 -0.608 7.697 4.199 1.00 0.00 C ATOM 530 CD GLU A 36 -0.034 7.300 5.545 1.00 0.00 C ATOM 531 OE1 GLU A 36 -0.685 7.579 6.573 1.00 0.00 O ATOM 532 OE2 GLU A 36 1.066 6.710 5.569 1.00 0.00 O ATOM 0 H GLU A 36 -4.538 8.210 2.835 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.140 9.895 3.191 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.288 8.558 5.207 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -2.664 7.111 4.293 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.460 6.882 3.491 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.060 8.557 3.814 1.00 0.00 H new ATOM 539 N VAL A 37 -1.379 9.062 1.002 1.00 0.00 N ATOM 540 CA VAL A 37 -0.884 8.597 -0.288 1.00 0.00 C ATOM 541 C VAL A 37 0.419 7.821 -0.130 1.00 0.00 C ATOM 542 O VAL A 37 1.425 8.362 0.332 1.00 0.00 O ATOM 543 CB VAL A 37 -0.654 9.772 -1.257 1.00 0.00 C ATOM 544 CG1 VAL A 37 -0.205 9.262 -2.618 1.00 0.00 C ATOM 545 CG2 VAL A 37 -1.915 10.613 -1.383 1.00 0.00 C ATOM 0 H VAL A 37 -1.103 10.015 1.241 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.648 7.938 -0.701 1.00 0.00 H new ATOM 0 HB VAL A 37 0.137 10.404 -0.853 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.048 10.106 -3.289 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.726 8.706 -2.509 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.972 8.607 -3.032 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.734 11.439 -2.071 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.728 9.995 -1.763 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.187 11.009 -0.405 1.00 0.00 H new ATOM 555 N LEU A 38 0.394 6.550 -0.516 1.00 0.00 N ATOM 556 CA LEU A 38 1.574 5.698 -0.418 1.00 0.00 C ATOM 557 C LEU A 38 2.087 5.317 -1.803 1.00 0.00 C ATOM 558 O LEU A 38 1.560 5.772 -2.817 1.00 0.00 O ATOM 559 CB LEU A 38 1.250 4.436 0.384 1.00 0.00 C ATOM 560 CG LEU A 38 0.554 4.654 1.727 1.00 0.00 C ATOM 561 CD1 LEU A 38 -0.093 3.365 2.209 1.00 0.00 C ATOM 562 CD2 LEU A 38 1.540 5.176 2.761 1.00 0.00 C ATOM 0 H LEU A 38 -0.430 6.087 -0.900 1.00 0.00 H new ATOM 0 HA LEU A 38 2.355 6.258 0.097 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.619 3.792 -0.229 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.179 3.895 0.563 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.228 5.401 1.591 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.584 3.540 3.167 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.831 3.033 1.479 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.671 2.597 2.328 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.026 5.325 3.711 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.345 4.453 2.893 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.956 6.124 2.421 1.00 0.00 H new ATOM 574 N GLU A 39 3.117 4.477 -1.836 1.00 0.00 N ATOM 575 CA GLU A 39 3.700 4.034 -3.097 1.00 0.00 C ATOM 576 C GLU A 39 4.031 2.545 -3.050 1.00 0.00 C ATOM 577 O GLU A 39 4.983 2.130 -2.388 1.00 0.00 O ATOM 578 CB GLU A 39 4.963 4.839 -3.412 1.00 0.00 C ATOM 579 CG GLU A 39 5.388 4.760 -4.868 1.00 0.00 C ATOM 580 CD GLU A 39 6.384 5.840 -5.245 1.00 0.00 C ATOM 581 OE1 GLU A 39 5.980 7.020 -5.314 1.00 0.00 O ATOM 582 OE2 GLU A 39 7.565 5.506 -5.471 1.00 0.00 O ATOM 0 H GLU A 39 3.564 4.090 -1.005 1.00 0.00 H new ATOM 0 HA GLU A 39 2.966 4.201 -3.885 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.794 5.883 -3.148 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.779 4.480 -2.784 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.828 3.782 -5.061 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.507 4.845 -5.505 1.00 0.00 H new ATOM 589 N VAL A 40 3.239 1.746 -3.757 1.00 0.00 N ATOM 590 CA VAL A 40 3.447 0.303 -3.797 1.00 0.00 C ATOM 591 C VAL A 40 4.668 -0.052 -4.637 1.00 0.00 C ATOM 592 O VAL A 40 4.610 -0.050 -5.867 1.00 0.00 O ATOM 593 CB VAL A 40 2.216 -0.426 -4.367 1.00 0.00 C ATOM 594 CG1 VAL A 40 2.481 -1.920 -4.472 1.00 0.00 C ATOM 595 CG2 VAL A 40 0.990 -0.153 -3.507 1.00 0.00 C ATOM 0 H VAL A 40 2.447 2.073 -4.310 1.00 0.00 H new ATOM 0 HA VAL A 40 3.609 -0.022 -2.769 1.00 0.00 H new ATOM 0 HB VAL A 40 2.021 -0.045 -5.369 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.600 -2.418 -4.877 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.331 -2.093 -5.132 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.702 -2.321 -3.483 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.129 -0.676 -3.924 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.172 -0.506 -2.492 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.790 0.918 -3.488 1.00 0.00 H new ATOM 605 N ILE A 41 5.773 -0.358 -3.965 1.00 0.00 N ATOM 606 CA ILE A 41 7.008 -0.718 -4.650 1.00 0.00 C ATOM 607 C ILE A 41 7.095 -2.224 -4.873 1.00 0.00 C ATOM 608 O ILE A 41 7.610 -2.681 -5.892 1.00 0.00 O ATOM 609 CB ILE A 41 8.246 -0.255 -3.858 1.00 0.00 C ATOM 610 CG1 ILE A 41 8.219 -0.836 -2.443 1.00 0.00 C ATOM 611 CG2 ILE A 41 8.308 1.264 -3.812 1.00 0.00 C ATOM 612 CD1 ILE A 41 9.429 -0.464 -1.614 1.00 0.00 C ATOM 0 H ILE A 41 5.838 -0.364 -2.947 1.00 0.00 H new ATOM 0 HA ILE A 41 6.993 -0.211 -5.615 1.00 0.00 H new ATOM 0 HB ILE A 41 9.140 -0.620 -4.363 1.00 0.00 H new ATOM 0 HG12 ILE A 41 7.319 -0.490 -1.934 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.152 -1.922 -2.506 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.188 1.575 -3.249 1.00 0.00 H new ATOM 0 HG22 ILE A 41 8.369 1.657 -4.827 1.00 0.00 H new ATOM 0 HG23 ILE A 41 7.412 1.650 -3.327 1.00 0.00 H new ATOM 0 HD11 ILE A 41 9.342 -0.910 -0.623 1.00 0.00 H new ATOM 0 HD12 ILE A 41 10.331 -0.834 -2.101 1.00 0.00 H new ATOM 0 HD13 ILE A 41 9.486 0.620 -1.520 1.00 0.00 H new ATOM 624 N GLU A 42 6.585 -2.989 -3.912 1.00 0.00 N ATOM 625 CA GLU A 42 6.604 -4.444 -4.005 1.00 0.00 C ATOM 626 C GLU A 42 5.206 -5.020 -3.805 1.00 0.00 C ATOM 627 O GLU A 42 4.300 -4.331 -3.336 1.00 0.00 O ATOM 628 CB GLU A 42 7.563 -5.031 -2.967 1.00 0.00 C ATOM 629 CG GLU A 42 9.030 -4.820 -3.306 1.00 0.00 C ATOM 630 CD GLU A 42 9.935 -4.977 -2.099 1.00 0.00 C ATOM 631 OE1 GLU A 42 9.618 -5.810 -1.225 1.00 0.00 O ATOM 632 OE2 GLU A 42 10.959 -4.266 -2.030 1.00 0.00 O ATOM 0 H GLU A 42 6.154 -2.626 -3.062 1.00 0.00 H new ATOM 0 HA GLU A 42 6.950 -4.714 -5.003 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.355 -4.581 -1.996 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.371 -6.100 -2.871 1.00 0.00 H new ATOM 0 HG2 GLU A 42 9.328 -5.533 -4.074 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.162 -3.824 -3.728 1.00 0.00 H new ATOM 639 N ASP A 43 5.038 -6.288 -4.163 1.00 0.00 N ATOM 640 CA ASP A 43 3.751 -6.959 -4.022 1.00 0.00 C ATOM 641 C ASP A 43 3.664 -7.694 -2.689 1.00 0.00 C ATOM 642 O ASP A 43 3.020 -8.737 -2.584 1.00 0.00 O ATOM 643 CB ASP A 43 3.534 -7.940 -5.175 1.00 0.00 C ATOM 644 CG ASP A 43 4.820 -8.617 -5.608 1.00 0.00 C ATOM 645 OD1 ASP A 43 5.389 -9.382 -4.801 1.00 0.00 O ATOM 646 OD2 ASP A 43 5.256 -8.384 -6.755 1.00 0.00 O ATOM 0 H ASP A 43 5.777 -6.872 -4.553 1.00 0.00 H new ATOM 0 HA ASP A 43 2.969 -6.200 -4.049 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.812 -8.698 -4.872 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.102 -7.409 -6.024 1.00 0.00 H new ATOM 651 N GLY A 44 4.318 -7.143 -1.671 1.00 0.00 N ATOM 652 CA GLY A 44 4.302 -7.761 -0.358 1.00 0.00 C ATOM 653 C GLY A 44 4.766 -9.203 -0.390 1.00 0.00 C ATOM 654 O GLY A 44 5.218 -9.694 -1.425 1.00 0.00 O ATOM 0 H GLY A 44 4.858 -6.280 -1.732 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.942 -7.192 0.316 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.292 -7.717 0.049 1.00 0.00 H new ATOM 714 N TRP A 49 -1.583 -8.973 0.561 1.00 0.00 N ATOM 715 CA TRP A 49 -0.864 -7.860 1.173 1.00 0.00 C ATOM 716 C TRP A 49 0.212 -7.326 0.234 1.00 0.00 C ATOM 717 O TRP A 49 0.738 -8.058 -0.604 1.00 0.00 O ATOM 718 CB TRP A 49 -0.234 -8.299 2.495 1.00 0.00 C ATOM 719 CG TRP A 49 -1.242 -8.647 3.548 1.00 0.00 C ATOM 720 CD1 TRP A 49 -2.164 -9.653 3.499 1.00 0.00 C ATOM 721 CD2 TRP A 49 -1.431 -7.988 4.805 1.00 0.00 C ATOM 722 NE1 TRP A 49 -2.915 -9.659 4.650 1.00 0.00 N ATOM 723 CE2 TRP A 49 -2.485 -8.648 5.467 1.00 0.00 C ATOM 724 CE3 TRP A 49 -0.812 -6.906 5.436 1.00 0.00 C ATOM 725 CZ2 TRP A 49 -2.931 -8.259 6.728 1.00 0.00 C ATOM 726 CZ3 TRP A 49 -1.256 -6.521 6.687 1.00 0.00 C ATOM 727 CH2 TRP A 49 -2.307 -7.196 7.322 1.00 0.00 C ATOM 0 HA TRP A 49 -1.579 -7.060 1.368 1.00 0.00 H new ATOM 0 HB2 TRP A 49 0.405 -9.163 2.315 1.00 0.00 H new ATOM 0 HB3 TRP A 49 0.407 -7.500 2.866 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -2.285 -10.343 2.677 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -3.670 -10.311 4.861 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -0.001 -6.380 4.955 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -3.741 -8.778 7.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -0.785 -5.686 7.184 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -2.631 -6.871 8.300 1.00 0.00 H new ATOM 738 N VAL A 50 0.536 -6.045 0.381 1.00 0.00 N ATOM 739 CA VAL A 50 1.552 -5.413 -0.453 1.00 0.00 C ATOM 740 C VAL A 50 2.477 -4.534 0.379 1.00 0.00 C ATOM 741 O VAL A 50 2.193 -4.238 1.540 1.00 0.00 O ATOM 742 CB VAL A 50 0.913 -4.560 -1.565 1.00 0.00 C ATOM 743 CG1 VAL A 50 0.149 -5.440 -2.542 1.00 0.00 C ATOM 744 CG2 VAL A 50 0.003 -3.499 -0.966 1.00 0.00 C ATOM 0 H VAL A 50 0.110 -5.425 1.070 1.00 0.00 H new ATOM 0 HA VAL A 50 2.132 -6.215 -0.909 1.00 0.00 H new ATOM 0 HB VAL A 50 1.708 -4.056 -2.114 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.295 -4.819 -3.320 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.832 -6.158 -2.996 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.638 -5.975 -2.011 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.440 -2.906 -1.766 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.788 -3.981 -0.391 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.584 -2.849 -0.311 1.00 0.00 H new ATOM 754 N LYS A 51 3.587 -4.117 -0.221 1.00 0.00 N ATOM 755 CA LYS A 51 4.556 -3.269 0.463 1.00 0.00 C ATOM 756 C LYS A 51 4.492 -1.838 -0.061 1.00 0.00 C ATOM 757 O LYS A 51 4.737 -1.588 -1.241 1.00 0.00 O ATOM 758 CB LYS A 51 5.969 -3.827 0.283 1.00 0.00 C ATOM 759 CG LYS A 51 6.914 -3.466 1.417 1.00 0.00 C ATOM 760 CD LYS A 51 8.244 -4.190 1.286 1.00 0.00 C ATOM 761 CE LYS A 51 8.886 -4.425 2.645 1.00 0.00 C ATOM 762 NZ LYS A 51 10.247 -5.017 2.520 1.00 0.00 N ATOM 0 H LYS A 51 3.838 -4.353 -1.181 1.00 0.00 H new ATOM 0 HA LYS A 51 4.308 -3.260 1.524 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.914 -4.912 0.198 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.381 -3.455 -0.655 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.084 -2.389 1.422 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.453 -3.720 2.371 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.092 -5.146 0.784 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.918 -3.605 0.660 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.949 -3.480 3.185 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.254 -5.088 3.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.651 -5.162 3.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.184 -5.931 2.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.858 -4.372 1.978 1.00 0.00 H new ATOM 776 N ALA A 52 4.163 -0.902 0.823 1.00 0.00 N ATOM 777 CA ALA A 52 4.071 0.504 0.450 1.00 0.00 C ATOM 778 C ALA A 52 4.813 1.386 1.447 1.00 0.00 C ATOM 779 O ALA A 52 4.840 1.100 2.644 1.00 0.00 O ATOM 780 CB ALA A 52 2.613 0.928 0.350 1.00 0.00 C ATOM 0 H ALA A 52 3.956 -1.092 1.803 1.00 0.00 H new ATOM 0 HA ALA A 52 4.542 0.628 -0.525 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.558 1.980 0.071 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.110 0.325 -0.406 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.125 0.783 1.314 1.00 0.00 H new ATOM 786 N ARG A 53 5.415 2.460 0.946 1.00 0.00 N ATOM 787 CA ARG A 53 6.161 3.383 1.793 1.00 0.00 C ATOM 788 C ARG A 53 5.367 4.665 2.029 1.00 0.00 C ATOM 789 O ARG A 53 4.604 5.101 1.169 1.00 0.00 O ATOM 790 CB ARG A 53 7.511 3.716 1.157 1.00 0.00 C ATOM 791 CG ARG A 53 8.381 4.622 2.013 1.00 0.00 C ATOM 792 CD ARG A 53 9.684 4.970 1.310 1.00 0.00 C ATOM 793 NE ARG A 53 9.525 6.088 0.385 1.00 0.00 N ATOM 794 CZ ARG A 53 10.373 6.352 -0.603 1.00 0.00 C ATOM 795 NH1 ARG A 53 11.435 5.581 -0.792 1.00 0.00 N ATOM 796 NH2 ARG A 53 10.160 7.389 -1.403 1.00 0.00 N ATOM 0 H ARG A 53 5.401 2.712 -0.042 1.00 0.00 H new ATOM 0 HA ARG A 53 6.331 2.898 2.754 1.00 0.00 H new ATOM 0 HB2 ARG A 53 8.049 2.789 0.961 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.341 4.195 0.193 1.00 0.00 H new ATOM 0 HG2 ARG A 53 7.836 5.537 2.246 1.00 0.00 H new ATOM 0 HG3 ARG A 53 8.598 4.130 2.961 1.00 0.00 H new ATOM 0 HD2 ARG A 53 10.441 5.219 2.053 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.046 4.098 0.766 1.00 0.00 H new ATOM 0 HE ARG A 53 8.718 6.700 0.504 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.602 4.784 -0.178 1.00 0.00 H new ATOM 0 HH12 ARG A 53 12.085 5.785 -1.551 1.00 0.00 H new ATOM 0 HH21 ARG A 53 9.344 7.985 -1.260 1.00 0.00 H new ATOM 0 HH22 ARG A 53 10.812 7.591 -2.161 1.00 0.00 H new ATOM 810 N ASN A 54 5.554 5.263 3.201 1.00 0.00 N ATOM 811 CA ASN A 54 4.855 6.495 3.551 1.00 0.00 C ATOM 812 C ASN A 54 5.779 7.701 3.417 1.00 0.00 C ATOM 813 O ASN A 54 6.921 7.577 2.974 1.00 0.00 O ATOM 814 CB ASN A 54 4.313 6.410 4.979 1.00 0.00 C ATOM 815 CG ASN A 54 5.198 5.576 5.885 1.00 0.00 C ATOM 816 OD1 ASN A 54 6.367 5.336 5.581 1.00 0.00 O ATOM 817 ND2 ASN A 54 4.644 5.129 7.006 1.00 0.00 N ATOM 0 H ASN A 54 6.183 4.915 3.924 1.00 0.00 H new ATOM 0 HA ASN A 54 4.021 6.620 2.860 1.00 0.00 H new ATOM 0 HB2 ASN A 54 4.221 7.415 5.390 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.311 5.981 4.959 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.191 4.563 7.655 1.00 0.00 H new ATOM 0 HD22 ASN A 54 3.672 5.352 7.218 1.00 0.00 H new ATOM 824 N LYS A 55 5.277 8.869 3.803 1.00 0.00 N ATOM 825 CA LYS A 55 6.057 10.100 3.729 1.00 0.00 C ATOM 826 C LYS A 55 7.275 10.028 4.644 1.00 0.00 C ATOM 827 O LYS A 55 8.327 10.591 4.339 1.00 0.00 O ATOM 828 CB LYS A 55 5.189 11.301 4.110 1.00 0.00 C ATOM 829 CG LYS A 55 4.720 11.279 5.554 1.00 0.00 C ATOM 830 CD LYS A 55 3.432 10.488 5.711 1.00 0.00 C ATOM 831 CE LYS A 55 2.621 10.974 6.903 1.00 0.00 C ATOM 832 NZ LYS A 55 1.938 12.266 6.619 1.00 0.00 N ATOM 0 H LYS A 55 4.333 8.990 4.170 1.00 0.00 H new ATOM 0 HA LYS A 55 6.403 10.221 2.702 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.753 12.217 3.934 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.319 11.332 3.455 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.496 10.841 6.183 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.566 12.300 5.903 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.836 10.578 4.803 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.666 9.431 5.836 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.879 10.221 7.168 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.277 11.092 7.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.254 12.471 7.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.643 13.029 6.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.439 12.202 5.709 1.00 0.00 H new ATOM 846 N VAL A 56 7.126 9.332 5.766 1.00 0.00 N ATOM 847 CA VAL A 56 8.215 9.185 6.725 1.00 0.00 C ATOM 848 C VAL A 56 9.296 8.252 6.190 1.00 0.00 C ATOM 849 O VAL A 56 10.387 8.164 6.750 1.00 0.00 O ATOM 850 CB VAL A 56 7.706 8.643 8.074 1.00 0.00 C ATOM 851 CG1 VAL A 56 6.712 9.610 8.697 1.00 0.00 C ATOM 852 CG2 VAL A 56 7.083 7.267 7.893 1.00 0.00 C ATOM 0 H VAL A 56 6.262 8.861 6.034 1.00 0.00 H new ATOM 0 HA VAL A 56 8.639 10.178 6.878 1.00 0.00 H new ATOM 0 HB VAL A 56 8.555 8.546 8.751 1.00 0.00 H new ATOM 0 HG11 VAL A 56 6.363 9.210 9.649 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.196 10.573 8.863 1.00 0.00 H new ATOM 0 HG13 VAL A 56 5.863 9.742 8.026 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.729 6.899 8.856 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.245 7.335 7.200 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.829 6.580 7.494 1.00 0.00 H new ATOM 862 N GLY A 57 8.984 7.558 5.099 1.00 0.00 N ATOM 863 CA GLY A 57 9.940 6.641 4.506 1.00 0.00 C ATOM 864 C GLY A 57 9.753 5.216 4.989 1.00 0.00 C ATOM 865 O GLY A 57 10.286 4.279 4.396 1.00 0.00 O ATOM 0 H GLY A 57 8.087 7.615 4.616 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.841 6.669 3.421 1.00 0.00 H new ATOM 0 HA3 GLY A 57 10.951 6.972 4.743 1.00 0.00 H new ATOM 869 N GLN A 58 8.998 5.054 6.070 1.00 0.00 N ATOM 870 CA GLN A 58 8.745 3.733 6.634 1.00 0.00 C ATOM 871 C GLN A 58 8.174 2.791 5.580 1.00 0.00 C ATOM 872 O GLN A 58 7.459 3.218 4.673 1.00 0.00 O ATOM 873 CB GLN A 58 7.782 3.837 7.818 1.00 0.00 C ATOM 874 CG GLN A 58 8.479 4.057 9.151 1.00 0.00 C ATOM 875 CD GLN A 58 7.506 4.144 10.311 1.00 0.00 C ATOM 876 OE1 GLN A 58 6.911 3.144 10.713 1.00 0.00 O ATOM 877 NE2 GLN A 58 7.339 5.343 10.856 1.00 0.00 N ATOM 0 H GLN A 58 8.551 5.820 6.573 1.00 0.00 H new ATOM 0 HA GLN A 58 9.695 3.326 6.982 1.00 0.00 H new ATOM 0 HB2 GLN A 58 7.088 4.659 7.640 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.188 2.925 7.874 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.179 3.241 9.330 1.00 0.00 H new ATOM 0 HG3 GLN A 58 9.065 4.975 9.103 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.853 6.145 10.491 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.697 5.462 11.640 1.00 0.00 H new ATOM 886 N VAL A 59 8.494 1.507 5.704 1.00 0.00 N ATOM 887 CA VAL A 59 8.012 0.504 4.763 1.00 0.00 C ATOM 888 C VAL A 59 7.526 -0.744 5.490 1.00 0.00 C ATOM 889 O VAL A 59 8.222 -1.287 6.347 1.00 0.00 O ATOM 890 CB VAL A 59 9.109 0.105 3.758 1.00 0.00 C ATOM 891 CG1 VAL A 59 8.555 -0.854 2.715 1.00 0.00 C ATOM 892 CG2 VAL A 59 9.702 1.340 3.097 1.00 0.00 C ATOM 0 H VAL A 59 9.086 1.137 6.448 1.00 0.00 H new ATOM 0 HA VAL A 59 7.179 0.952 4.222 1.00 0.00 H new ATOM 0 HB VAL A 59 9.905 -0.406 4.300 1.00 0.00 H new ATOM 0 HG11 VAL A 59 9.344 -1.125 2.014 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.184 -1.753 3.208 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.739 -0.373 2.175 1.00 0.00 H new ATOM 0 HG21 VAL A 59 10.475 1.039 2.390 1.00 0.00 H new ATOM 0 HG22 VAL A 59 8.918 1.881 2.568 1.00 0.00 H new ATOM 0 HG23 VAL A 59 10.139 1.986 3.859 1.00 0.00 H new ATOM 902 N GLY A 60 6.324 -1.195 5.142 1.00 0.00 N ATOM 903 CA GLY A 60 5.764 -2.377 5.771 1.00 0.00 C ATOM 904 C GLY A 60 4.664 -3.009 4.942 1.00 0.00 C ATOM 905 O GLY A 60 4.301 -2.495 3.884 1.00 0.00 O ATOM 0 H GLY A 60 5.728 -0.763 4.436 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.556 -3.107 5.935 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.368 -2.110 6.751 1.00 0.00 H new ATOM 909 N TYR A 61 4.131 -4.127 5.423 1.00 0.00 N ATOM 910 CA TYR A 61 3.068 -4.832 4.717 1.00 0.00 C ATOM 911 C TYR A 61 1.700 -4.273 5.094 1.00 0.00 C ATOM 912 O TYR A 61 1.399 -4.076 6.271 1.00 0.00 O ATOM 913 CB TYR A 61 3.124 -6.328 5.031 1.00 0.00 C ATOM 914 CG TYR A 61 4.432 -6.980 4.642 1.00 0.00 C ATOM 915 CD1 TYR A 61 4.982 -6.781 3.382 1.00 0.00 C ATOM 916 CD2 TYR A 61 5.117 -7.795 5.535 1.00 0.00 C ATOM 917 CE1 TYR A 61 6.176 -7.375 3.022 1.00 0.00 C ATOM 918 CE2 TYR A 61 6.312 -8.392 5.184 1.00 0.00 C ATOM 919 CZ TYR A 61 6.837 -8.180 3.926 1.00 0.00 C ATOM 920 OH TYR A 61 8.028 -8.772 3.572 1.00 0.00 O ATOM 0 H TYR A 61 4.418 -4.564 6.299 1.00 0.00 H new ATOM 0 HA TYR A 61 3.218 -4.686 3.647 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.959 -6.473 6.099 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.308 -6.831 4.511 1.00 0.00 H new ATOM 0 HD1 TYR A 61 4.467 -6.151 2.672 1.00 0.00 H new ATOM 0 HD2 TYR A 61 4.708 -7.964 6.520 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.590 -7.210 2.038 1.00 0.00 H new ATOM 0 HE2 TYR A 61 6.833 -9.021 5.891 1.00 0.00 H new ATOM 0 HH TYR A 61 8.364 -9.306 4.322 1.00 0.00 H new ATOM 930 N VAL A 62 0.873 -4.019 4.084 1.00 0.00 N ATOM 931 CA VAL A 62 -0.465 -3.484 4.308 1.00 0.00 C ATOM 932 C VAL A 62 -1.491 -4.184 3.424 1.00 0.00 C ATOM 933 O VAL A 62 -1.190 -4.636 2.319 1.00 0.00 O ATOM 934 CB VAL A 62 -0.516 -1.969 4.035 1.00 0.00 C ATOM 935 CG1 VAL A 62 0.264 -1.208 5.096 1.00 0.00 C ATOM 936 CG2 VAL A 62 0.018 -1.660 2.644 1.00 0.00 C ATOM 0 H VAL A 62 1.106 -4.175 3.103 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.708 -3.665 5.355 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.556 -1.644 4.081 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.216 -0.139 4.886 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.169 -1.405 6.077 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.304 -1.534 5.086 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.025 -0.585 2.468 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.051 -1.999 2.567 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.589 -2.174 1.899 1.00 0.00 H new ATOM 946 N PRO A 63 -2.734 -4.276 3.919 1.00 0.00 N ATOM 947 CA PRO A 63 -3.831 -4.919 3.190 1.00 0.00 C ATOM 948 C PRO A 63 -4.271 -4.111 1.974 1.00 0.00 C ATOM 949 O PRO A 63 -4.757 -2.988 2.107 1.00 0.00 O ATOM 950 CB PRO A 63 -4.957 -4.981 4.226 1.00 0.00 C ATOM 951 CG PRO A 63 -4.663 -3.869 5.173 1.00 0.00 C ATOM 952 CD PRO A 63 -3.164 -3.759 5.230 1.00 0.00 C ATOM 0 HA PRO A 63 -3.542 -5.893 2.795 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -5.933 -4.854 3.758 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.971 -5.943 4.738 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -5.110 -2.936 4.830 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -5.077 -4.077 6.160 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.842 -2.729 5.381 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.749 -4.346 6.049 1.00 0.00 H new ATOM 960 N GLU A 64 -4.097 -4.689 0.790 1.00 0.00 N ATOM 961 CA GLU A 64 -4.476 -4.021 -0.449 1.00 0.00 C ATOM 962 C GLU A 64 -5.966 -3.692 -0.456 1.00 0.00 C ATOM 963 O GLU A 64 -6.400 -2.739 -1.103 1.00 0.00 O ATOM 964 CB GLU A 64 -4.132 -4.899 -1.654 1.00 0.00 C ATOM 965 CG GLU A 64 -4.604 -4.326 -2.980 1.00 0.00 C ATOM 966 CD GLU A 64 -6.008 -4.770 -3.340 1.00 0.00 C ATOM 967 OE1 GLU A 64 -6.235 -5.994 -3.441 1.00 0.00 O ATOM 968 OE2 GLU A 64 -6.879 -3.894 -3.522 1.00 0.00 O ATOM 0 H GLU A 64 -3.696 -5.618 0.663 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.915 -3.089 -0.515 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.052 -5.041 -1.693 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.578 -5.884 -1.514 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.572 -3.237 -2.933 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.917 -4.632 -3.769 1.00 0.00 H new ATOM 975 N LYS A 65 -6.745 -4.487 0.270 1.00 0.00 N ATOM 976 CA LYS A 65 -8.186 -4.281 0.350 1.00 0.00 C ATOM 977 C LYS A 65 -8.510 -2.951 1.023 1.00 0.00 C ATOM 978 O LYS A 65 -9.648 -2.483 0.979 1.00 0.00 O ATOM 979 CB LYS A 65 -8.844 -5.428 1.121 1.00 0.00 C ATOM 980 CG LYS A 65 -8.551 -6.799 0.539 1.00 0.00 C ATOM 981 CD LYS A 65 -9.651 -7.793 0.871 1.00 0.00 C ATOM 982 CE LYS A 65 -9.506 -8.333 2.285 1.00 0.00 C ATOM 983 NZ LYS A 65 -9.927 -7.334 3.306 1.00 0.00 N ATOM 0 H LYS A 65 -6.402 -5.280 0.812 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.581 -4.260 -0.666 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -8.503 -5.402 2.156 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.923 -5.272 1.137 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.445 -6.721 -0.543 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.600 -7.164 0.927 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -10.623 -7.312 0.762 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.623 -8.619 0.160 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -10.106 -9.237 2.392 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.468 -8.617 2.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.422 -7.818 4.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -9.088 -6.847 3.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.565 -6.639 2.869 1.00 0.00 H new ATOM 997 N TYR A 66 -7.502 -2.346 1.642 1.00 0.00 N ATOM 998 CA TYR A 66 -7.680 -1.070 2.325 1.00 0.00 C ATOM 999 C TYR A 66 -7.080 0.072 1.510 1.00 0.00 C ATOM 1000 O TYR A 66 -7.390 1.242 1.737 1.00 0.00 O ATOM 1001 CB TYR A 66 -7.036 -1.115 3.711 1.00 0.00 C ATOM 1002 CG TYR A 66 -7.796 -1.965 4.704 1.00 0.00 C ATOM 1003 CD1 TYR A 66 -8.166 -3.268 4.394 1.00 0.00 C ATOM 1004 CD2 TYR A 66 -8.145 -1.466 5.953 1.00 0.00 C ATOM 1005 CE1 TYR A 66 -8.861 -4.048 5.297 1.00 0.00 C ATOM 1006 CE2 TYR A 66 -8.839 -2.239 6.863 1.00 0.00 C ATOM 1007 CZ TYR A 66 -9.194 -3.530 6.531 1.00 0.00 C ATOM 1008 OH TYR A 66 -9.887 -4.303 7.435 1.00 0.00 O ATOM 0 H TYR A 66 -6.553 -2.719 1.685 1.00 0.00 H new ATOM 0 HA TYR A 66 -8.750 -0.892 2.435 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -6.020 -1.500 3.618 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -6.958 -0.100 4.099 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -7.905 -3.678 3.429 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -7.869 -0.456 6.217 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -9.142 -5.058 5.038 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -9.102 -1.835 7.829 1.00 0.00 H new ATOM 0 HH TYR A 66 -10.041 -3.789 8.255 1.00 0.00 H new ATOM 1018 N LEU A 67 -6.220 -0.277 0.559 1.00 0.00 N ATOM 1019 CA LEU A 67 -5.575 0.717 -0.292 1.00 0.00 C ATOM 1020 C LEU A 67 -6.436 1.029 -1.512 1.00 0.00 C ATOM 1021 O LEU A 67 -7.160 0.167 -2.009 1.00 0.00 O ATOM 1022 CB LEU A 67 -4.199 0.221 -0.737 1.00 0.00 C ATOM 1023 CG LEU A 67 -3.168 0.015 0.373 1.00 0.00 C ATOM 1024 CD1 LEU A 67 -1.970 -0.763 -0.148 1.00 0.00 C ATOM 1025 CD2 LEU A 67 -2.727 1.354 0.946 1.00 0.00 C ATOM 0 H LEU A 67 -5.953 -1.241 0.358 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.453 1.632 0.288 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.329 -0.724 -1.265 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.793 0.934 -1.455 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.633 -0.565 1.171 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.247 -0.900 0.656 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.298 -1.737 -0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.504 -0.211 -0.964 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.993 1.188 1.735 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.281 1.958 0.156 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.591 1.876 1.358 1.00 0.00 H new ATOM 1037 N GLN A 68 -6.348 2.266 -1.990 1.00 0.00 N ATOM 1038 CA GLN A 68 -7.118 2.691 -3.154 1.00 0.00 C ATOM 1039 C GLN A 68 -6.223 2.813 -4.383 1.00 0.00 C ATOM 1040 O GLN A 68 -5.726 3.895 -4.696 1.00 0.00 O ATOM 1041 CB GLN A 68 -7.808 4.027 -2.875 1.00 0.00 C ATOM 1042 CG GLN A 68 -8.799 4.436 -3.953 1.00 0.00 C ATOM 1043 CD GLN A 68 -9.248 5.878 -3.815 1.00 0.00 C ATOM 1044 OE1 GLN A 68 -8.623 6.671 -3.110 1.00 0.00 O ATOM 1045 NE2 GLN A 68 -10.338 6.225 -4.490 1.00 0.00 N ATOM 0 H GLN A 68 -5.752 2.991 -1.590 1.00 0.00 H new ATOM 0 HA GLN A 68 -7.876 1.934 -3.353 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.328 3.965 -1.919 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.050 4.804 -2.776 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -8.344 4.293 -4.933 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.670 3.782 -3.908 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -10.825 5.535 -5.062 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -10.688 7.181 -4.436 1.00 0.00 H new ATOM 1054 N PHE A 69 -6.022 1.698 -5.076 1.00 0.00 N ATOM 1055 CA PHE A 69 -5.186 1.680 -6.270 1.00 0.00 C ATOM 1056 C PHE A 69 -5.772 2.575 -7.358 1.00 0.00 C ATOM 1057 O PHE A 69 -6.964 2.884 -7.368 1.00 0.00 O ATOM 1058 CB PHE A 69 -5.040 0.250 -6.795 1.00 0.00 C ATOM 1059 CG PHE A 69 -3.999 -0.552 -6.068 1.00 0.00 C ATOM 1060 CD1 PHE A 69 -4.011 -0.636 -4.686 1.00 0.00 C ATOM 1061 CD2 PHE A 69 -3.008 -1.222 -6.768 1.00 0.00 C ATOM 1062 CE1 PHE A 69 -3.054 -1.374 -4.013 1.00 0.00 C ATOM 1063 CE2 PHE A 69 -2.049 -1.961 -6.102 1.00 0.00 C ATOM 1064 CZ PHE A 69 -2.072 -2.036 -4.723 1.00 0.00 C ATOM 0 H PHE A 69 -6.427 0.794 -4.831 1.00 0.00 H new ATOM 0 HA PHE A 69 -4.202 2.063 -5.999 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -6.001 -0.258 -6.714 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -4.786 0.285 -7.854 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -4.777 -0.119 -4.127 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -2.985 -1.166 -7.846 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -3.075 -1.432 -2.935 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -1.282 -2.479 -6.659 1.00 0.00 H new ATOM 0 HZ PHE A 69 -1.323 -2.612 -4.201 1.00 0.00 H new ATOM 1074 N PRO A 70 -4.915 3.005 -8.296 1.00 0.00 N ATOM 1075 CA PRO A 70 -5.324 3.871 -9.405 1.00 0.00 C ATOM 1076 C PRO A 70 -6.213 3.146 -10.410 1.00 0.00 C ATOM 1077 O PRO A 70 -6.792 3.765 -11.303 1.00 0.00 O ATOM 1078 CB PRO A 70 -3.995 4.267 -10.055 1.00 0.00 C ATOM 1079 CG PRO A 70 -3.059 3.162 -9.705 1.00 0.00 C ATOM 1080 CD PRO A 70 -3.480 2.677 -8.346 1.00 0.00 C ATOM 0 HA PRO A 70 -5.916 4.719 -9.062 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.098 4.372 -11.135 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -3.638 5.224 -9.675 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.112 2.359 -10.440 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -2.028 3.514 -9.691 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -3.308 1.607 -8.230 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.926 3.177 -7.552 1.00 0.00 H new