USER MOD reduce.3.24.130724 H: found=0, std=0, add=635, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 632 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 ASN : amide:sc= 0.48 K(o=0.48,f=-1.2) USER MOD Set 1.2: A 48 GLN : amide:sc= 0 X(o=0.48,f=0.48) USER MOD Set 2.1: A 17 MET CE :methyl 177:sc= -0.168 (180deg=-0.171) USER MOD Set 2.2: A 36 GLN : amide:sc= 0 X(o=-0.17,f=-0.28) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.014 X(o=-0.014,f=-0.014) USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 GLN : amide:sc=-0.00047 K(o=-0.00047,f=-1.1) USER MOD Single : A 35 THR OG1 : rot -170:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 69:sc= 0.974 USER MOD Single : A 53 ASN : amide:sc= 0.0837 K(o=0.084,f=-4!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -1.09 X(o=-1.1,f=-0.78) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.239 USER MOD Single : A 63 THR OG1 : rot 75:sc= 0.804 USER MOD Single : A 65 GLN : amide:sc= 0.535 K(o=0.54,f=0) USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -1.81 X(o=-1.8,f=-2.2!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.185 X(o=-0.18,f=-0.44) USER MOD Single : A 82 HIS : no HE2:sc= -0.304 K(o=-0.3,f=-1.7) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=-0.0087) USER MOD ----------------------------------------------------------------- ATOM 151 N LEU A 12 2.742 -21.154 -14.390 1.00 0.00 N ATOM 152 CA LEU A 12 3.257 -22.489 -14.053 1.00 0.00 C ATOM 153 C LEU A 12 2.855 -23.572 -15.082 1.00 0.00 C ATOM 154 O LEU A 12 1.889 -23.379 -15.831 1.00 0.00 O ATOM 155 CB LEU A 12 2.854 -22.835 -12.597 1.00 0.00 C ATOM 156 CG LEU A 12 1.404 -22.540 -12.154 1.00 0.00 C ATOM 157 CD1 LEU A 12 0.365 -23.393 -12.887 1.00 0.00 C ATOM 158 CD2 LEU A 12 1.285 -22.806 -10.654 1.00 0.00 C ATOM 0 HA LEU A 12 4.345 -22.470 -14.109 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.040 -23.898 -12.443 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.524 -22.294 -11.928 1.00 0.00 H new ATOM 0 HG LEU A 12 1.198 -21.498 -12.398 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.633 -23.137 -12.530 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.427 -23.202 -13.958 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.560 -24.448 -12.695 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.265 -22.601 -10.328 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.529 -23.848 -10.449 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.975 -22.158 -10.114 1.00 0.00 H new ATOM 170 N PRO A 13 3.586 -24.704 -15.153 1.00 0.00 N ATOM 171 CA PRO A 13 3.279 -25.805 -16.068 1.00 0.00 C ATOM 172 C PRO A 13 2.101 -26.673 -15.593 1.00 0.00 C ATOM 173 O PRO A 13 1.734 -26.681 -14.413 1.00 0.00 O ATOM 174 CB PRO A 13 4.569 -26.629 -16.142 1.00 0.00 C ATOM 175 CG PRO A 13 5.198 -26.416 -14.765 1.00 0.00 C ATOM 176 CD PRO A 13 4.837 -24.970 -14.451 1.00 0.00 C ATOM 0 HA PRO A 13 2.966 -25.421 -17.039 1.00 0.00 H new ATOM 0 HB2 PRO A 13 4.364 -27.682 -16.332 1.00 0.00 H new ATOM 0 HB3 PRO A 13 5.223 -26.282 -16.942 1.00 0.00 H new ATOM 0 HG2 PRO A 13 4.792 -27.105 -14.024 1.00 0.00 H new ATOM 0 HG3 PRO A 13 6.277 -26.569 -14.785 1.00 0.00 H new ATOM 0 HD2 PRO A 13 4.721 -24.822 -13.377 1.00 0.00 H new ATOM 0 HD3 PRO A 13 5.622 -24.291 -14.783 1.00 0.00 H new ATOM 184 N HIS A 14 1.540 -27.453 -16.524 1.00 0.00 N ATOM 185 CA HIS A 14 0.471 -28.418 -16.261 1.00 0.00 C ATOM 186 C HIS A 14 1.015 -29.779 -15.790 1.00 0.00 C ATOM 187 O HIS A 14 0.624 -30.279 -14.735 1.00 0.00 O ATOM 188 CB HIS A 14 -0.403 -28.550 -17.517 1.00 0.00 C ATOM 189 CG HIS A 14 -1.682 -29.309 -17.270 1.00 0.00 C ATOM 190 ND1 HIS A 14 -2.776 -28.830 -16.582 1.00 0.00 N ATOM 191 CD2 HIS A 14 -1.976 -30.577 -17.692 1.00 0.00 C ATOM 192 CE1 HIS A 14 -3.718 -29.790 -16.588 1.00 0.00 C ATOM 193 NE2 HIS A 14 -3.274 -30.872 -17.252 1.00 0.00 N ATOM 0 H HIS A 14 1.825 -27.429 -17.503 1.00 0.00 H new ATOM 0 HA HIS A 14 -0.141 -28.048 -15.438 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -0.644 -27.555 -17.891 1.00 0.00 H new ATOM 0 HB3 HIS A 14 0.167 -29.054 -18.298 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -1.328 -31.229 -18.259 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -4.691 -29.704 -16.126 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -3.784 -31.742 -17.406 1.00 0.00 H new ATOM 201 N ASP A 15 1.919 -30.387 -16.566 1.00 0.00 N ATOM 202 CA ASP A 15 2.372 -31.778 -16.415 1.00 0.00 C ATOM 203 C ASP A 15 3.704 -31.956 -15.655 1.00 0.00 C ATOM 204 O ASP A 15 3.980 -33.049 -15.152 1.00 0.00 O ATOM 205 CB ASP A 15 2.446 -32.420 -17.808 1.00 0.00 C ATOM 206 CG ASP A 15 3.538 -31.792 -18.693 1.00 0.00 C ATOM 207 OD1 ASP A 15 3.389 -30.610 -19.087 1.00 0.00 O ATOM 208 OD2 ASP A 15 4.544 -32.477 -18.994 1.00 0.00 O ATOM 0 H ASP A 15 2.373 -29.909 -17.345 1.00 0.00 H new ATOM 0 HA ASP A 15 1.638 -32.280 -15.785 1.00 0.00 H new ATOM 0 HB2 ASP A 15 2.639 -33.488 -17.702 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.480 -32.318 -18.302 1.00 0.00 H new ATOM 213 N ARG A 16 4.513 -30.895 -15.521 1.00 0.00 N ATOM 214 CA ARG A 16 5.649 -30.823 -14.583 1.00 0.00 C ATOM 215 C ARG A 16 5.166 -30.384 -13.195 1.00 0.00 C ATOM 216 O ARG A 16 4.305 -29.511 -13.079 1.00 0.00 O ATOM 217 CB ARG A 16 6.703 -29.821 -15.099 1.00 0.00 C ATOM 218 CG ARG A 16 7.611 -30.345 -16.224 1.00 0.00 C ATOM 219 CD ARG A 16 8.653 -31.349 -15.709 1.00 0.00 C ATOM 220 NE ARG A 16 9.658 -31.665 -16.742 1.00 0.00 N ATOM 221 CZ ARG A 16 10.732 -32.425 -16.605 1.00 0.00 C ATOM 222 NH1 ARG A 16 11.008 -33.037 -15.488 1.00 0.00 N ATOM 223 NH2 ARG A 16 11.560 -32.584 -17.597 1.00 0.00 N ATOM 0 H ARG A 16 4.396 -30.044 -16.072 1.00 0.00 H new ATOM 0 HA ARG A 16 6.098 -31.813 -14.510 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.188 -28.929 -15.456 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.330 -29.514 -14.262 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.999 -30.820 -16.991 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.121 -29.506 -16.698 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.150 -30.940 -14.830 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.153 -32.265 -15.395 1.00 0.00 H new ATOM 0 HE ARG A 16 9.508 -31.252 -17.663 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.387 -32.937 -14.685 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.845 -33.616 -15.417 1.00 0.00 H new ATOM 0 HH21 ARG A 16 11.383 -32.121 -18.488 1.00 0.00 H new ATOM 0 HH22 ARG A 16 12.386 -33.172 -17.483 1.00 0.00 H new ATOM 237 N MET A 17 5.780 -30.930 -12.148 1.00 0.00 N ATOM 238 CA MET A 17 5.717 -30.418 -10.775 1.00 0.00 C ATOM 239 C MET A 17 6.917 -29.500 -10.489 1.00 0.00 C ATOM 240 O MET A 17 8.052 -29.816 -10.857 1.00 0.00 O ATOM 241 CB MET A 17 5.624 -31.574 -9.756 1.00 0.00 C ATOM 242 CG MET A 17 6.707 -32.667 -9.856 1.00 0.00 C ATOM 243 SD MET A 17 6.526 -33.874 -11.206 1.00 0.00 S ATOM 244 CE MET A 17 5.133 -34.854 -10.580 1.00 0.00 C ATOM 0 H MET A 17 6.355 -31.769 -12.231 1.00 0.00 H new ATOM 0 HA MET A 17 4.810 -29.823 -10.668 1.00 0.00 H new ATOM 0 HB2 MET A 17 5.660 -31.149 -8.753 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.649 -32.049 -9.866 1.00 0.00 H new ATOM 0 HG2 MET A 17 7.675 -32.178 -9.964 1.00 0.00 H new ATOM 0 HG3 MET A 17 6.729 -33.212 -8.912 1.00 0.00 H new ATOM 0 HE1 MET A 17 4.859 -35.609 -11.317 1.00 0.00 H new ATOM 0 HE2 MET A 17 5.421 -35.344 -9.650 1.00 0.00 H new ATOM 0 HE3 MET A 17 4.281 -34.199 -10.396 1.00 0.00 H new ATOM 254 N THR A 18 6.678 -28.369 -9.819 1.00 0.00 N ATOM 255 CA THR A 18 7.723 -27.449 -9.330 1.00 0.00 C ATOM 256 C THR A 18 7.903 -27.583 -7.813 1.00 0.00 C ATOM 257 O THR A 18 6.984 -27.971 -7.084 1.00 0.00 O ATOM 258 CB THR A 18 7.416 -25.985 -9.697 1.00 0.00 C ATOM 259 OG1 THR A 18 6.205 -25.570 -9.110 1.00 0.00 O ATOM 260 CG2 THR A 18 7.290 -25.761 -11.206 1.00 0.00 C ATOM 0 H THR A 18 5.734 -28.056 -9.594 1.00 0.00 H new ATOM 0 HA THR A 18 8.653 -27.731 -9.824 1.00 0.00 H new ATOM 0 HB THR A 18 8.260 -25.406 -9.321 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.027 -24.637 -9.352 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.073 -24.711 -11.401 1.00 0.00 H new ATOM 0 HG22 THR A 18 8.225 -26.035 -11.694 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.481 -26.377 -11.599 1.00 0.00 H new ATOM 268 N SER A 19 9.094 -27.239 -7.311 1.00 0.00 N ATOM 269 CA SER A 19 9.421 -27.285 -5.877 1.00 0.00 C ATOM 270 C SER A 19 8.622 -26.282 -5.031 1.00 0.00 C ATOM 271 O SER A 19 8.384 -26.534 -3.851 1.00 0.00 O ATOM 272 CB SER A 19 10.922 -27.057 -5.670 1.00 0.00 C ATOM 273 OG SER A 19 11.331 -25.834 -6.265 1.00 0.00 O ATOM 0 H SER A 19 9.868 -26.917 -7.893 1.00 0.00 H new ATOM 0 HA SER A 19 9.138 -28.279 -5.532 1.00 0.00 H new ATOM 0 HB2 SER A 19 11.149 -27.042 -4.604 1.00 0.00 H new ATOM 0 HB3 SER A 19 11.484 -27.884 -6.104 1.00 0.00 H new ATOM 0 HG SER A 19 12.292 -25.705 -6.121 1.00 0.00 H new ATOM 279 N GLN A 20 8.150 -25.184 -5.635 1.00 0.00 N ATOM 280 CA GLN A 20 7.314 -24.155 -5.003 1.00 0.00 C ATOM 281 C GLN A 20 6.050 -24.752 -4.360 1.00 0.00 C ATOM 282 O GLN A 20 5.703 -24.420 -3.226 1.00 0.00 O ATOM 283 CB GLN A 20 6.944 -23.108 -6.069 1.00 0.00 C ATOM 284 CG GLN A 20 6.212 -21.874 -5.513 1.00 0.00 C ATOM 285 CD GLN A 20 7.116 -21.007 -4.638 1.00 0.00 C ATOM 286 OE1 GLN A 20 7.137 -21.102 -3.417 1.00 0.00 O ATOM 287 NE2 GLN A 20 7.916 -20.140 -5.224 1.00 0.00 N ATOM 0 H GLN A 20 8.347 -24.980 -6.615 1.00 0.00 H new ATOM 0 HA GLN A 20 7.878 -23.687 -4.196 1.00 0.00 H new ATOM 0 HB2 GLN A 20 7.854 -22.781 -6.572 1.00 0.00 H new ATOM 0 HB3 GLN A 20 6.315 -23.580 -6.823 1.00 0.00 H new ATOM 0 HG2 GLN A 20 5.831 -21.277 -6.341 1.00 0.00 H new ATOM 0 HG3 GLN A 20 5.349 -22.198 -4.931 1.00 0.00 H new ATOM 0 HE21 GLN A 20 7.912 -20.048 -6.240 1.00 0.00 H new ATOM 0 HE22 GLN A 20 8.540 -19.561 -4.662 1.00 0.00 H new ATOM 296 N GLU A 21 5.368 -25.646 -5.079 1.00 0.00 N ATOM 297 CA GLU A 21 4.151 -26.317 -4.611 1.00 0.00 C ATOM 298 C GLU A 21 4.492 -27.400 -3.577 1.00 0.00 C ATOM 299 O GLU A 21 3.956 -27.402 -2.468 1.00 0.00 O ATOM 300 CB GLU A 21 3.375 -26.909 -5.805 1.00 0.00 C ATOM 301 CG GLU A 21 3.257 -25.960 -7.010 1.00 0.00 C ATOM 302 CD GLU A 21 2.704 -24.562 -6.658 1.00 0.00 C ATOM 303 OE1 GLU A 21 1.756 -24.459 -5.846 1.00 0.00 O ATOM 304 OE2 GLU A 21 3.209 -23.556 -7.212 1.00 0.00 O ATOM 0 H GLU A 21 5.649 -25.929 -6.018 1.00 0.00 H new ATOM 0 HA GLU A 21 3.512 -25.582 -4.122 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.868 -27.827 -6.126 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.374 -27.184 -5.473 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.240 -25.846 -7.467 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.609 -26.418 -7.758 1.00 0.00 H new ATOM 311 N ALA A 22 5.431 -28.289 -3.918 1.00 0.00 N ATOM 312 CA ALA A 22 5.892 -29.395 -3.079 1.00 0.00 C ATOM 313 C ALA A 22 6.449 -28.968 -1.704 1.00 0.00 C ATOM 314 O ALA A 22 6.351 -29.733 -0.744 1.00 0.00 O ATOM 315 CB ALA A 22 6.941 -30.170 -3.878 1.00 0.00 C ATOM 0 H ALA A 22 5.907 -28.255 -4.820 1.00 0.00 H new ATOM 0 HA ALA A 22 5.029 -30.015 -2.837 1.00 0.00 H new ATOM 0 HB1 ALA A 22 7.309 -31.005 -3.282 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.492 -30.549 -4.796 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.771 -29.509 -4.126 1.00 0.00 H new ATOM 321 N ALA A 23 6.983 -27.749 -1.571 1.00 0.00 N ATOM 322 CA ALA A 23 7.475 -27.192 -0.307 1.00 0.00 C ATOM 323 C ALA A 23 6.402 -27.135 0.803 1.00 0.00 C ATOM 324 O ALA A 23 6.725 -27.304 1.982 1.00 0.00 O ATOM 325 CB ALA A 23 8.050 -25.798 -0.585 1.00 0.00 C ATOM 0 H ALA A 23 7.087 -27.108 -2.357 1.00 0.00 H new ATOM 0 HA ALA A 23 8.247 -27.859 0.076 1.00 0.00 H new ATOM 0 HB1 ALA A 23 8.422 -25.366 0.344 1.00 0.00 H new ATOM 0 HB2 ALA A 23 8.868 -25.878 -1.301 1.00 0.00 H new ATOM 0 HB3 ALA A 23 7.269 -25.158 -0.996 1.00 0.00 H new ATOM 331 N CYS A 24 5.127 -26.939 0.445 1.00 0.00 N ATOM 332 CA CYS A 24 3.995 -26.967 1.380 1.00 0.00 C ATOM 333 C CYS A 24 3.540 -28.395 1.752 1.00 0.00 C ATOM 334 O CYS A 24 2.764 -28.560 2.697 1.00 0.00 O ATOM 335 CB CYS A 24 2.830 -26.176 0.764 1.00 0.00 C ATOM 336 SG CYS A 24 3.278 -24.425 0.565 1.00 0.00 S ATOM 0 H CYS A 24 4.848 -26.753 -0.518 1.00 0.00 H new ATOM 0 HA CYS A 24 4.325 -26.509 2.313 1.00 0.00 H new ATOM 0 HB2 CYS A 24 2.566 -26.602 -0.204 1.00 0.00 H new ATOM 0 HB3 CYS A 24 1.949 -26.261 1.400 1.00 0.00 H new ATOM 0 HG CYS A 24 2.279 -23.778 0.041 1.00 0.00 H new ATOM 342 N PHE A 25 4.012 -29.425 1.035 1.00 0.00 N ATOM 343 CA PHE A 25 3.598 -30.826 1.179 1.00 0.00 C ATOM 344 C PHE A 25 4.801 -31.795 1.030 1.00 0.00 C ATOM 345 O PHE A 25 4.865 -32.566 0.065 1.00 0.00 O ATOM 346 CB PHE A 25 2.483 -31.150 0.163 1.00 0.00 C ATOM 347 CG PHE A 25 1.350 -30.148 0.028 1.00 0.00 C ATOM 348 CD1 PHE A 25 1.477 -29.085 -0.884 1.00 0.00 C ATOM 349 CD2 PHE A 25 0.154 -30.300 0.754 1.00 0.00 C ATOM 350 CE1 PHE A 25 0.435 -28.160 -1.057 1.00 0.00 C ATOM 351 CE2 PHE A 25 -0.903 -29.392 0.560 1.00 0.00 C ATOM 352 CZ PHE A 25 -0.762 -28.319 -0.340 1.00 0.00 C ATOM 0 H PHE A 25 4.720 -29.299 0.311 1.00 0.00 H new ATOM 0 HA PHE A 25 3.203 -30.968 2.185 1.00 0.00 H new ATOM 0 HB2 PHE A 25 2.945 -31.271 -0.817 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.051 -32.114 0.433 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.386 -28.979 -1.458 1.00 0.00 H new ATOM 0 HD2 PHE A 25 0.048 -31.112 1.458 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.553 -27.330 -1.738 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.827 -29.519 1.104 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.573 -27.619 -0.479 1.00 0.00 H new ATOM 362 N PRO A 26 5.769 -31.800 1.967 1.00 0.00 N ATOM 363 CA PRO A 26 6.987 -32.608 1.832 1.00 0.00 C ATOM 364 C PRO A 26 6.701 -34.121 1.793 1.00 0.00 C ATOM 365 O PRO A 26 7.376 -34.865 1.083 1.00 0.00 O ATOM 366 CB PRO A 26 7.883 -32.201 3.007 1.00 0.00 C ATOM 367 CG PRO A 26 6.905 -31.652 4.047 1.00 0.00 C ATOM 368 CD PRO A 26 5.800 -31.026 3.199 1.00 0.00 C ATOM 0 HA PRO A 26 7.480 -32.418 0.879 1.00 0.00 H new ATOM 0 HB2 PRO A 26 8.442 -33.052 3.396 1.00 0.00 H new ATOM 0 HB3 PRO A 26 8.613 -31.448 2.710 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.518 -32.442 4.691 1.00 0.00 H new ATOM 0 HG3 PRO A 26 7.380 -30.916 4.695 1.00 0.00 H new ATOM 0 HD2 PRO A 26 4.840 -31.068 3.713 1.00 0.00 H new ATOM 0 HD3 PRO A 26 6.008 -29.975 2.997 1.00 0.00 H new ATOM 376 N ASP A 27 5.652 -34.578 2.484 1.00 0.00 N ATOM 377 CA ASP A 27 5.184 -35.972 2.468 1.00 0.00 C ATOM 378 C ASP A 27 4.653 -36.438 1.096 1.00 0.00 C ATOM 379 O ASP A 27 4.607 -37.641 0.833 1.00 0.00 O ATOM 380 CB ASP A 27 4.082 -36.146 3.523 1.00 0.00 C ATOM 381 CG ASP A 27 4.587 -35.864 4.947 1.00 0.00 C ATOM 382 OD1 ASP A 27 5.234 -36.754 5.550 1.00 0.00 O ATOM 383 OD2 ASP A 27 4.333 -34.751 5.469 1.00 0.00 O ATOM 0 H ASP A 27 5.089 -33.976 3.085 1.00 0.00 H new ATOM 0 HA ASP A 27 6.051 -36.593 2.691 1.00 0.00 H new ATOM 0 HB2 ASP A 27 3.254 -35.475 3.294 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.692 -37.163 3.473 1.00 0.00 H new ATOM 388 N ILE A 28 4.262 -35.511 0.211 1.00 0.00 N ATOM 389 CA ILE A 28 3.764 -35.805 -1.142 1.00 0.00 C ATOM 390 C ILE A 28 4.932 -36.052 -2.103 1.00 0.00 C ATOM 391 O ILE A 28 4.988 -37.105 -2.739 1.00 0.00 O ATOM 392 CB ILE A 28 2.808 -34.690 -1.631 1.00 0.00 C ATOM 393 CG1 ILE A 28 1.552 -34.678 -0.723 1.00 0.00 C ATOM 394 CG2 ILE A 28 2.465 -34.869 -3.120 1.00 0.00 C ATOM 395 CD1 ILE A 28 0.421 -33.738 -1.160 1.00 0.00 C ATOM 0 H ILE A 28 4.283 -34.513 0.420 1.00 0.00 H new ATOM 0 HA ILE A 28 3.179 -36.724 -1.114 1.00 0.00 H new ATOM 0 HB ILE A 28 3.295 -33.718 -1.553 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.156 -35.692 -0.670 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.859 -34.402 0.286 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.792 -34.072 -3.437 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.380 -34.828 -3.712 1.00 0.00 H new ATOM 0 HG23 ILE A 28 1.980 -35.834 -3.268 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -0.406 -33.811 -0.454 1.00 0.00 H new ATOM 0 HD12 ILE A 28 0.789 -32.712 -1.184 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.075 -34.022 -2.154 1.00 0.00 H new ATOM 407 N ILE A 29 5.875 -35.110 -2.209 1.00 0.00 N ATOM 408 CA ILE A 29 7.039 -35.232 -3.109 1.00 0.00 C ATOM 409 C ILE A 29 7.978 -36.386 -2.710 1.00 0.00 C ATOM 410 O ILE A 29 8.490 -37.089 -3.582 1.00 0.00 O ATOM 411 CB ILE A 29 7.764 -33.873 -3.240 1.00 0.00 C ATOM 412 CG1 ILE A 29 8.836 -33.833 -4.350 1.00 0.00 C ATOM 413 CG2 ILE A 29 8.398 -33.408 -1.917 1.00 0.00 C ATOM 414 CD1 ILE A 29 8.271 -34.029 -5.763 1.00 0.00 C ATOM 0 H ILE A 29 5.858 -34.240 -1.676 1.00 0.00 H new ATOM 0 HA ILE A 29 6.672 -35.501 -4.100 1.00 0.00 H new ATOM 0 HB ILE A 29 6.967 -33.184 -3.522 1.00 0.00 H new ATOM 0 HG12 ILE A 29 9.356 -32.876 -4.306 1.00 0.00 H new ATOM 0 HG13 ILE A 29 9.577 -34.608 -4.154 1.00 0.00 H new ATOM 0 HG21 ILE A 29 8.893 -32.449 -2.068 1.00 0.00 H new ATOM 0 HG22 ILE A 29 7.622 -33.300 -1.160 1.00 0.00 H new ATOM 0 HG23 ILE A 29 9.129 -34.145 -1.585 1.00 0.00 H new ATOM 0 HD11 ILE A 29 9.083 -33.989 -6.489 1.00 0.00 H new ATOM 0 HD12 ILE A 29 7.776 -34.998 -5.826 1.00 0.00 H new ATOM 0 HD13 ILE A 29 7.551 -33.240 -5.980 1.00 0.00 H new ATOM 426 N SER A 30 8.145 -36.639 -1.406 1.00 0.00 N ATOM 427 CA SER A 30 8.861 -37.807 -0.857 1.00 0.00 C ATOM 428 C SER A 30 8.002 -39.088 -0.799 1.00 0.00 C ATOM 429 O SER A 30 8.497 -40.146 -0.402 1.00 0.00 O ATOM 430 CB SER A 30 9.391 -37.480 0.546 1.00 0.00 C ATOM 431 OG SER A 30 10.295 -36.383 0.498 1.00 0.00 O ATOM 0 H SER A 30 7.778 -36.023 -0.681 1.00 0.00 H new ATOM 0 HA SER A 30 9.684 -38.013 -1.542 1.00 0.00 H new ATOM 0 HB2 SER A 30 8.559 -37.243 1.209 1.00 0.00 H new ATOM 0 HB3 SER A 30 9.892 -38.353 0.964 1.00 0.00 H new ATOM 0 HG SER A 30 10.621 -36.188 1.401 1.00 0.00 H new ATOM 437 N GLY A 31 6.723 -39.014 -1.184 1.00 0.00 N ATOM 438 CA GLY A 31 5.770 -40.128 -1.241 1.00 0.00 C ATOM 439 C GLY A 31 5.817 -40.916 -2.563 1.00 0.00 C ATOM 440 O GLY A 31 6.657 -40.637 -3.428 1.00 0.00 O ATOM 0 H GLY A 31 6.304 -38.132 -1.479 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.972 -40.810 -0.415 1.00 0.00 H new ATOM 0 HA3 GLY A 31 4.762 -39.740 -1.095 1.00 0.00 H new ATOM 444 N PRO A 32 4.931 -41.916 -2.739 1.00 0.00 N ATOM 445 CA PRO A 32 4.841 -42.701 -3.970 1.00 0.00 C ATOM 446 C PRO A 32 4.290 -41.871 -5.143 1.00 0.00 C ATOM 447 O PRO A 32 3.687 -40.808 -4.959 1.00 0.00 O ATOM 448 CB PRO A 32 3.935 -43.888 -3.620 1.00 0.00 C ATOM 449 CG PRO A 32 3.016 -43.324 -2.540 1.00 0.00 C ATOM 450 CD PRO A 32 3.916 -42.344 -1.786 1.00 0.00 C ATOM 0 HA PRO A 32 5.821 -43.035 -4.310 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.372 -44.233 -4.487 1.00 0.00 H new ATOM 0 HB3 PRO A 32 4.510 -44.739 -3.254 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.149 -42.823 -2.971 1.00 0.00 H new ATOM 0 HG3 PRO A 32 2.638 -44.108 -1.884 1.00 0.00 H new ATOM 0 HD2 PRO A 32 3.343 -41.493 -1.417 1.00 0.00 H new ATOM 0 HD3 PRO A 32 4.372 -42.821 -0.919 1.00 0.00 H new ATOM 458 N GLN A 33 4.460 -42.379 -6.370 1.00 0.00 N ATOM 459 CA GLN A 33 4.113 -41.660 -7.605 1.00 0.00 C ATOM 460 C GLN A 33 2.624 -41.262 -7.677 1.00 0.00 C ATOM 461 O GLN A 33 2.294 -40.180 -8.159 1.00 0.00 O ATOM 462 CB GLN A 33 4.522 -42.500 -8.827 1.00 0.00 C ATOM 463 CG GLN A 33 4.766 -41.606 -10.055 1.00 0.00 C ATOM 464 CD GLN A 33 4.714 -42.383 -11.367 1.00 0.00 C ATOM 465 OE1 GLN A 33 5.725 -42.740 -11.959 1.00 0.00 O ATOM 466 NE2 GLN A 33 3.533 -42.668 -11.882 1.00 0.00 N ATOM 0 H GLN A 33 4.846 -43.309 -6.536 1.00 0.00 H new ATOM 0 HA GLN A 33 4.671 -40.724 -7.603 1.00 0.00 H new ATOM 0 HB2 GLN A 33 5.426 -43.064 -8.598 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.741 -43.226 -9.051 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.018 -40.813 -10.077 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.739 -41.124 -9.961 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.683 -42.377 -11.400 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.470 -43.179 -12.762 1.00 0.00 H new ATOM 475 N GLN A 34 1.718 -42.103 -7.162 1.00 0.00 N ATOM 476 CA GLN A 34 0.279 -41.814 -7.113 1.00 0.00 C ATOM 477 C GLN A 34 -0.050 -40.540 -6.313 1.00 0.00 C ATOM 478 O GLN A 34 -0.893 -39.752 -6.745 1.00 0.00 O ATOM 479 CB GLN A 34 -0.500 -43.057 -6.637 1.00 0.00 C ATOM 480 CG GLN A 34 -0.252 -43.529 -5.188 1.00 0.00 C ATOM 481 CD GLN A 34 -1.137 -42.879 -4.116 1.00 0.00 C ATOM 482 OE1 GLN A 34 -1.965 -42.011 -4.361 1.00 0.00 O ATOM 483 NE2 GLN A 34 -1.008 -43.292 -2.873 1.00 0.00 N ATOM 0 H GLN A 34 1.965 -43.010 -6.765 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.054 -41.590 -8.126 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.565 -42.852 -6.749 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -0.262 -43.883 -7.307 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -0.397 -44.609 -5.147 1.00 0.00 H new ATOM 0 HG3 GLN A 34 0.791 -43.338 -4.937 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -0.325 -44.014 -2.644 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.591 -42.890 -2.139 1.00 0.00 H new ATOM 492 N THR A 35 0.653 -40.289 -5.199 1.00 0.00 N ATOM 493 CA THR A 35 0.423 -39.132 -4.314 1.00 0.00 C ATOM 494 C THR A 35 0.795 -37.815 -5.001 1.00 0.00 C ATOM 495 O THR A 35 -0.005 -36.879 -5.013 1.00 0.00 O ATOM 496 CB THR A 35 1.186 -39.267 -2.985 1.00 0.00 C ATOM 497 OG1 THR A 35 1.025 -40.559 -2.446 1.00 0.00 O ATOM 498 CG2 THR A 35 0.661 -38.308 -1.919 1.00 0.00 C ATOM 0 H THR A 35 1.411 -40.893 -4.880 1.00 0.00 H new ATOM 0 HA THR A 35 -0.644 -39.117 -4.093 1.00 0.00 H new ATOM 0 HB THR A 35 2.227 -39.048 -3.222 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.381 -40.579 -1.533 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.230 -38.440 -0.999 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.769 -37.281 -2.268 1.00 0.00 H new ATOM 0 HG23 THR A 35 -0.391 -38.517 -1.728 1.00 0.00 H new ATOM 506 N GLN A 36 1.982 -37.733 -5.618 1.00 0.00 N ATOM 507 CA GLN A 36 2.375 -36.551 -6.403 1.00 0.00 C ATOM 508 C GLN A 36 1.465 -36.317 -7.624 1.00 0.00 C ATOM 509 O GLN A 36 1.188 -35.163 -7.951 1.00 0.00 O ATOM 510 CB GLN A 36 3.870 -36.581 -6.780 1.00 0.00 C ATOM 511 CG GLN A 36 4.309 -37.842 -7.538 1.00 0.00 C ATOM 512 CD GLN A 36 5.714 -37.748 -8.128 1.00 0.00 C ATOM 513 OE1 GLN A 36 5.916 -37.879 -9.328 1.00 0.00 O ATOM 514 NE2 GLN A 36 6.739 -37.529 -7.333 1.00 0.00 N ATOM 0 H GLN A 36 2.687 -38.470 -5.590 1.00 0.00 H new ATOM 0 HA GLN A 36 2.231 -35.687 -5.754 1.00 0.00 H new ATOM 0 HB2 GLN A 36 4.095 -35.707 -7.392 1.00 0.00 H new ATOM 0 HB3 GLN A 36 4.463 -36.494 -5.870 1.00 0.00 H new ATOM 0 HG2 GLN A 36 4.266 -38.695 -6.861 1.00 0.00 H new ATOM 0 HG3 GLN A 36 3.599 -38.037 -8.342 1.00 0.00 H new ATOM 0 HE21 GLN A 36 6.592 -37.417 -6.330 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.681 -37.471 -7.720 1.00 0.00 H new ATOM 523 N LYS A 37 0.942 -37.378 -8.261 1.00 0.00 N ATOM 524 CA LYS A 37 -0.039 -37.265 -9.358 1.00 0.00 C ATOM 525 C LYS A 37 -1.364 -36.662 -8.891 1.00 0.00 C ATOM 526 O LYS A 37 -1.766 -35.635 -9.434 1.00 0.00 O ATOM 527 CB LYS A 37 -0.250 -38.610 -10.085 1.00 0.00 C ATOM 528 CG LYS A 37 0.501 -38.659 -11.426 1.00 0.00 C ATOM 529 CD LYS A 37 2.028 -38.710 -11.266 1.00 0.00 C ATOM 530 CE LYS A 37 2.787 -38.431 -12.572 1.00 0.00 C ATOM 531 NZ LYS A 37 2.519 -39.442 -13.629 1.00 0.00 N ATOM 0 H LYS A 37 1.187 -38.341 -8.031 1.00 0.00 H new ATOM 0 HA LYS A 37 0.386 -36.570 -10.083 1.00 0.00 H new ATOM 0 HB2 LYS A 37 0.092 -39.425 -9.447 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.315 -38.766 -10.259 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.172 -39.534 -11.987 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.234 -37.783 -12.016 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.332 -37.981 -10.515 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.314 -39.693 -10.891 1.00 0.00 H new ATOM 0 HE2 LYS A 37 2.510 -37.444 -12.943 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.857 -38.405 -12.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 3.058 -39.201 -14.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 2.808 -40.382 -13.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 1.503 -39.451 -13.851 1.00 0.00 H new ATOM 545 N VAL A 38 -2.034 -37.256 -7.897 1.00 0.00 N ATOM 546 CA VAL A 38 -3.320 -36.736 -7.385 1.00 0.00 C ATOM 547 C VAL A 38 -3.201 -35.287 -6.899 1.00 0.00 C ATOM 548 O VAL A 38 -4.046 -34.458 -7.236 1.00 0.00 O ATOM 549 CB VAL A 38 -3.961 -37.680 -6.341 1.00 0.00 C ATOM 550 CG1 VAL A 38 -3.178 -37.828 -5.036 1.00 0.00 C ATOM 551 CG2 VAL A 38 -5.369 -37.223 -5.965 1.00 0.00 C ATOM 0 H VAL A 38 -1.711 -38.101 -7.426 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.014 -36.714 -8.226 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.967 -38.646 -6.846 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -3.707 -38.509 -4.369 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.187 -38.227 -5.250 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.081 -36.854 -4.557 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.790 -37.909 -5.230 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.325 -36.219 -5.542 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.998 -37.214 -6.855 1.00 0.00 H new ATOM 561 N PHE A 39 -2.108 -34.946 -6.211 1.00 0.00 N ATOM 562 CA PHE A 39 -1.768 -33.574 -5.829 1.00 0.00 C ATOM 563 C PHE A 39 -1.666 -32.626 -7.031 1.00 0.00 C ATOM 564 O PHE A 39 -2.423 -31.658 -7.109 1.00 0.00 O ATOM 565 CB PHE A 39 -0.464 -33.589 -5.028 1.00 0.00 C ATOM 566 CG PHE A 39 0.100 -32.211 -4.722 1.00 0.00 C ATOM 567 CD1 PHE A 39 -0.689 -31.253 -4.059 1.00 0.00 C ATOM 568 CD2 PHE A 39 1.409 -31.876 -5.126 1.00 0.00 C ATOM 569 CE1 PHE A 39 -0.176 -29.970 -3.809 1.00 0.00 C ATOM 570 CE2 PHE A 39 1.928 -30.598 -4.856 1.00 0.00 C ATOM 571 CZ PHE A 39 1.133 -29.644 -4.199 1.00 0.00 C ATOM 0 H PHE A 39 -1.421 -35.631 -5.898 1.00 0.00 H new ATOM 0 HA PHE A 39 -2.579 -33.185 -5.213 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.635 -34.115 -4.089 1.00 0.00 H new ATOM 0 HB3 PHE A 39 0.282 -34.159 -5.582 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -1.690 -31.505 -3.742 1.00 0.00 H new ATOM 0 HD2 PHE A 39 2.015 -32.604 -5.645 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -0.790 -29.232 -3.315 1.00 0.00 H new ATOM 0 HE2 PHE A 39 2.936 -30.350 -5.153 1.00 0.00 H new ATOM 0 HZ PHE A 39 1.529 -28.660 -3.994 1.00 0.00 H new ATOM 581 N LEU A 40 -0.753 -32.894 -7.974 1.00 0.00 N ATOM 582 CA LEU A 40 -0.528 -32.066 -9.166 1.00 0.00 C ATOM 583 C LEU A 40 -1.818 -31.867 -9.980 1.00 0.00 C ATOM 584 O LEU A 40 -2.084 -30.763 -10.458 1.00 0.00 O ATOM 585 CB LEU A 40 0.589 -32.712 -10.013 1.00 0.00 C ATOM 586 CG LEU A 40 0.949 -31.946 -11.303 1.00 0.00 C ATOM 587 CD1 LEU A 40 1.523 -30.559 -10.999 1.00 0.00 C ATOM 588 CD2 LEU A 40 1.984 -32.721 -12.116 1.00 0.00 C ATOM 0 H LEU A 40 -0.139 -33.707 -7.929 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.215 -31.069 -8.855 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.485 -32.802 -9.399 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.283 -33.723 -10.281 1.00 0.00 H new ATOM 0 HG LEU A 40 0.025 -31.835 -11.870 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.764 -30.052 -11.933 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.787 -29.974 -10.448 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.427 -30.663 -10.399 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.225 -32.165 -13.022 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.887 -32.855 -11.521 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.579 -33.696 -12.386 1.00 0.00 H new ATOM 600 N PHE A 41 -2.619 -32.925 -10.126 1.00 0.00 N ATOM 601 CA PHE A 41 -3.903 -32.905 -10.824 1.00 0.00 C ATOM 602 C PHE A 41 -4.918 -31.979 -10.127 1.00 0.00 C ATOM 603 O PHE A 41 -5.400 -31.032 -10.750 1.00 0.00 O ATOM 604 CB PHE A 41 -4.409 -34.346 -10.984 1.00 0.00 C ATOM 605 CG PHE A 41 -5.370 -34.534 -12.140 1.00 0.00 C ATOM 606 CD1 PHE A 41 -6.752 -34.346 -11.958 1.00 0.00 C ATOM 607 CD2 PHE A 41 -4.876 -34.898 -13.408 1.00 0.00 C ATOM 608 CE1 PHE A 41 -7.636 -34.518 -13.040 1.00 0.00 C ATOM 609 CE2 PHE A 41 -5.759 -35.074 -14.489 1.00 0.00 C ATOM 610 CZ PHE A 41 -7.140 -34.882 -14.305 1.00 0.00 C ATOM 0 H PHE A 41 -2.384 -33.844 -9.751 1.00 0.00 H new ATOM 0 HA PHE A 41 -3.771 -32.482 -11.820 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -3.554 -35.008 -11.124 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -4.902 -34.652 -10.061 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -7.135 -34.069 -10.987 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.815 -35.043 -13.551 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -8.696 -34.370 -12.899 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -5.377 -35.356 -15.459 1.00 0.00 H new ATOM 0 HZ PHE A 41 -7.819 -35.014 -15.134 1.00 0.00 H new ATOM 620 N ILE A 42 -5.202 -32.194 -8.832 1.00 0.00 N ATOM 621 CA ILE A 42 -6.091 -31.337 -8.017 1.00 0.00 C ATOM 622 C ILE A 42 -5.633 -29.874 -8.049 1.00 0.00 C ATOM 623 O ILE A 42 -6.456 -28.979 -8.252 1.00 0.00 O ATOM 624 CB ILE A 42 -6.189 -31.849 -6.557 1.00 0.00 C ATOM 625 CG1 ILE A 42 -6.963 -33.186 -6.500 1.00 0.00 C ATOM 626 CG2 ILE A 42 -6.884 -30.828 -5.629 1.00 0.00 C ATOM 627 CD1 ILE A 42 -6.811 -33.904 -5.152 1.00 0.00 C ATOM 0 H ILE A 42 -4.816 -32.980 -8.310 1.00 0.00 H new ATOM 0 HA ILE A 42 -7.087 -31.390 -8.458 1.00 0.00 H new ATOM 0 HB ILE A 42 -5.167 -31.994 -6.207 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -8.020 -32.997 -6.689 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.609 -33.840 -7.297 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -6.930 -31.229 -4.617 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -6.318 -29.896 -5.625 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -7.895 -30.637 -5.990 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -7.376 -34.836 -5.171 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -5.758 -34.121 -4.972 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.191 -33.265 -4.355 1.00 0.00 H new ATOM 639 N ARG A 43 -4.332 -29.618 -7.863 1.00 0.00 N ATOM 640 CA ARG A 43 -3.742 -28.274 -7.873 1.00 0.00 C ATOM 641 C ARG A 43 -4.039 -27.547 -9.185 1.00 0.00 C ATOM 642 O ARG A 43 -4.645 -26.479 -9.166 1.00 0.00 O ATOM 643 CB ARG A 43 -2.235 -28.376 -7.591 1.00 0.00 C ATOM 644 CG ARG A 43 -1.637 -26.986 -7.333 1.00 0.00 C ATOM 645 CD ARG A 43 -0.117 -26.944 -7.513 1.00 0.00 C ATOM 646 NE ARG A 43 0.341 -27.288 -8.882 1.00 0.00 N ATOM 647 CZ ARG A 43 0.169 -26.620 -10.011 1.00 0.00 C ATOM 648 NH1 ARG A 43 -0.567 -25.549 -10.077 1.00 0.00 N ATOM 649 NH2 ARG A 43 0.746 -27.012 -11.110 1.00 0.00 N ATOM 0 H ARG A 43 -3.646 -30.355 -7.698 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.197 -27.675 -7.084 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.064 -29.017 -6.726 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.732 -28.842 -8.438 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.097 -26.267 -8.011 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.886 -26.672 -6.319 1.00 0.00 H new ATOM 0 HD2 ARG A 43 0.240 -25.945 -7.262 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.341 -27.634 -6.804 1.00 0.00 H new ATOM 0 HE ARG A 43 0.861 -28.162 -8.964 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.034 -25.199 -9.241 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.677 -25.060 -10.965 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.338 -27.842 -11.107 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.606 -26.489 -11.974 1.00 0.00 H new ATOM 663 N ASN A 44 -3.659 -28.132 -10.323 1.00 0.00 N ATOM 664 CA ASN A 44 -3.956 -27.587 -11.651 1.00 0.00 C ATOM 665 C ASN A 44 -5.451 -27.316 -11.847 1.00 0.00 C ATOM 666 O ASN A 44 -5.834 -26.204 -12.211 1.00 0.00 O ATOM 667 CB ASN A 44 -3.443 -28.555 -12.724 1.00 0.00 C ATOM 668 CG ASN A 44 -1.992 -28.303 -13.054 1.00 0.00 C ATOM 669 OD1 ASN A 44 -1.657 -27.320 -13.698 1.00 0.00 O ATOM 670 ND2 ASN A 44 -1.108 -29.170 -12.637 1.00 0.00 N ATOM 0 H ASN A 44 -3.132 -29.005 -10.350 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.447 -26.628 -11.742 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.565 -29.581 -12.377 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -4.045 -28.450 -13.627 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.120 -29.032 -12.848 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.406 -29.985 -12.101 1.00 0.00 H new ATOM 677 N ARG A 45 -6.299 -28.317 -11.578 1.00 0.00 N ATOM 678 CA ARG A 45 -7.762 -28.199 -11.661 1.00 0.00 C ATOM 679 C ARG A 45 -8.280 -27.030 -10.819 1.00 0.00 C ATOM 680 O ARG A 45 -9.077 -26.254 -11.325 1.00 0.00 O ATOM 681 CB ARG A 45 -8.419 -29.533 -11.271 1.00 0.00 C ATOM 682 CG ARG A 45 -8.134 -30.688 -12.256 1.00 0.00 C ATOM 683 CD ARG A 45 -9.159 -30.829 -13.389 1.00 0.00 C ATOM 684 NE ARG A 45 -8.942 -29.867 -14.489 1.00 0.00 N ATOM 685 CZ ARG A 45 -9.732 -29.671 -15.532 1.00 0.00 C ATOM 686 NH1 ARG A 45 -10.873 -30.289 -15.662 1.00 0.00 N ATOM 687 NH2 ARG A 45 -9.388 -28.852 -16.484 1.00 0.00 N ATOM 0 H ARG A 45 -5.985 -29.244 -11.293 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.037 -27.978 -12.692 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.070 -29.821 -10.279 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.497 -29.388 -11.200 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -7.147 -30.540 -12.693 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.098 -31.624 -11.698 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -9.115 -31.843 -13.787 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -10.161 -30.689 -12.984 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.098 -29.296 -14.439 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -11.181 -30.947 -14.946 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -11.458 -30.114 -16.479 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.500 -28.353 -16.431 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -10.006 -28.710 -17.283 1.00 0.00 H new ATOM 701 N THR A 46 -7.782 -26.836 -9.596 1.00 0.00 N ATOM 702 CA THR A 46 -8.133 -25.697 -8.722 1.00 0.00 C ATOM 703 C THR A 46 -7.870 -24.342 -9.395 1.00 0.00 C ATOM 704 O THR A 46 -8.786 -23.520 -9.471 1.00 0.00 O ATOM 705 CB THR A 46 -7.417 -25.776 -7.360 1.00 0.00 C ATOM 706 OG1 THR A 46 -7.736 -26.988 -6.709 1.00 0.00 O ATOM 707 CG2 THR A 46 -7.821 -24.640 -6.414 1.00 0.00 C ATOM 0 H THR A 46 -7.110 -27.474 -9.170 1.00 0.00 H new ATOM 0 HA THR A 46 -9.206 -25.771 -8.543 1.00 0.00 H new ATOM 0 HB THR A 46 -6.351 -25.703 -7.577 1.00 0.00 H new ATOM 0 HG1 THR A 46 -7.325 -27.736 -7.191 1.00 0.00 H new ATOM 0 HG21 THR A 46 -7.286 -24.745 -5.470 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.570 -23.682 -6.868 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.894 -24.684 -6.230 1.00 0.00 H new ATOM 715 N LEU A 47 -6.659 -24.093 -9.922 1.00 0.00 N ATOM 716 CA LEU A 47 -6.357 -22.840 -10.640 1.00 0.00 C ATOM 717 C LEU A 47 -7.202 -22.674 -11.911 1.00 0.00 C ATOM 718 O LEU A 47 -7.756 -21.597 -12.142 1.00 0.00 O ATOM 719 CB LEU A 47 -4.872 -22.727 -11.025 1.00 0.00 C ATOM 720 CG LEU A 47 -3.924 -22.374 -9.867 1.00 0.00 C ATOM 721 CD1 LEU A 47 -3.425 -23.615 -9.138 1.00 0.00 C ATOM 722 CD2 LEU A 47 -2.705 -21.641 -10.414 1.00 0.00 C ATOM 0 H LEU A 47 -5.873 -24.741 -9.865 1.00 0.00 H new ATOM 0 HA LEU A 47 -6.607 -22.046 -9.936 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.552 -23.674 -11.460 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.770 -21.969 -11.801 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.487 -21.754 -9.169 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.759 -23.318 -8.328 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -4.274 -24.162 -8.727 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.885 -24.255 -9.836 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.033 -21.390 -9.594 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.185 -22.281 -11.127 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -3.024 -20.726 -10.914 1.00 0.00 H new ATOM 734 N GLN A 48 -7.307 -23.720 -12.734 1.00 0.00 N ATOM 735 CA GLN A 48 -8.080 -23.679 -13.978 1.00 0.00 C ATOM 736 C GLN A 48 -9.570 -23.407 -13.712 1.00 0.00 C ATOM 737 O GLN A 48 -10.168 -22.581 -14.396 1.00 0.00 O ATOM 738 CB GLN A 48 -7.863 -24.963 -14.797 1.00 0.00 C ATOM 739 CG GLN A 48 -6.672 -24.863 -15.769 1.00 0.00 C ATOM 740 CD GLN A 48 -5.297 -24.770 -15.103 1.00 0.00 C ATOM 741 OE1 GLN A 48 -4.848 -23.722 -14.659 1.00 0.00 O ATOM 742 NE2 GLN A 48 -4.552 -25.855 -15.054 1.00 0.00 N ATOM 0 H GLN A 48 -6.859 -24.619 -12.557 1.00 0.00 H new ATOM 0 HA GLN A 48 -7.714 -22.843 -14.575 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -7.700 -25.798 -14.116 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -8.768 -25.184 -15.362 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.683 -25.734 -16.424 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.812 -23.987 -16.402 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -4.911 -26.737 -15.420 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -3.616 -25.813 -14.650 1.00 0.00 H new ATOM 751 N LEU A 49 -10.163 -24.031 -12.690 1.00 0.00 N ATOM 752 CA LEU A 49 -11.528 -23.762 -12.227 1.00 0.00 C ATOM 753 C LEU A 49 -11.699 -22.323 -11.708 1.00 0.00 C ATOM 754 O LEU A 49 -12.693 -21.674 -12.039 1.00 0.00 O ATOM 755 CB LEU A 49 -11.911 -24.797 -11.152 1.00 0.00 C ATOM 756 CG LEU A 49 -12.193 -26.212 -11.698 1.00 0.00 C ATOM 757 CD1 LEU A 49 -12.326 -27.196 -10.534 1.00 0.00 C ATOM 758 CD2 LEU A 49 -13.490 -26.254 -12.507 1.00 0.00 C ATOM 0 H LEU A 49 -9.695 -24.757 -12.147 1.00 0.00 H new ATOM 0 HA LEU A 49 -12.203 -23.856 -13.077 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -11.105 -24.857 -10.421 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -12.796 -24.442 -10.623 1.00 0.00 H new ATOM 0 HG LEU A 49 -11.360 -26.485 -12.346 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -12.525 -28.195 -10.923 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -11.399 -27.208 -9.960 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -13.148 -26.887 -9.889 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -13.656 -27.266 -12.876 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -14.325 -25.958 -11.872 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -13.415 -25.568 -13.351 1.00 0.00 H new ATOM 770 N TRP A 50 -10.733 -21.796 -10.945 1.00 0.00 N ATOM 771 CA TRP A 50 -10.739 -20.400 -10.488 1.00 0.00 C ATOM 772 C TRP A 50 -10.740 -19.409 -11.666 1.00 0.00 C ATOM 773 O TRP A 50 -11.616 -18.545 -11.741 1.00 0.00 O ATOM 774 CB TRP A 50 -9.569 -20.132 -9.525 1.00 0.00 C ATOM 775 CG TRP A 50 -9.616 -18.785 -8.860 1.00 0.00 C ATOM 776 CD1 TRP A 50 -9.270 -17.610 -9.436 1.00 0.00 C ATOM 777 CD2 TRP A 50 -10.084 -18.445 -7.516 1.00 0.00 C ATOM 778 NE1 TRP A 50 -9.535 -16.570 -8.564 1.00 0.00 N ATOM 779 CE2 TRP A 50 -10.069 -17.025 -7.378 1.00 0.00 C ATOM 780 CE3 TRP A 50 -10.534 -19.190 -6.404 1.00 0.00 C ATOM 781 CZ2 TRP A 50 -10.531 -16.377 -6.221 1.00 0.00 C ATOM 782 CZ3 TRP A 50 -10.998 -18.552 -5.236 1.00 0.00 C ATOM 783 CH2 TRP A 50 -11.008 -17.148 -5.146 1.00 0.00 C ATOM 0 H TRP A 50 -9.923 -22.327 -10.626 1.00 0.00 H new ATOM 0 HA TRP A 50 -11.668 -20.239 -9.940 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -9.562 -20.905 -8.756 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -8.632 -20.221 -10.075 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -8.851 -17.501 -10.425 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -9.357 -15.588 -8.773 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -10.522 -20.269 -6.449 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -10.520 -15.299 -6.157 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -11.348 -19.145 -4.404 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -11.380 -16.664 -4.255 1.00 0.00 H new ATOM 794 N LEU A 51 -9.782 -19.524 -12.597 1.00 0.00 N ATOM 795 CA LEU A 51 -9.668 -18.604 -13.740 1.00 0.00 C ATOM 796 C LEU A 51 -10.796 -18.773 -14.778 1.00 0.00 C ATOM 797 O LEU A 51 -11.171 -17.799 -15.432 1.00 0.00 O ATOM 798 CB LEU A 51 -8.245 -18.665 -14.339 1.00 0.00 C ATOM 799 CG LEU A 51 -7.909 -19.866 -15.248 1.00 0.00 C ATOM 800 CD1 LEU A 51 -8.293 -19.636 -16.716 1.00 0.00 C ATOM 801 CD2 LEU A 51 -6.402 -20.136 -15.230 1.00 0.00 C ATOM 0 H LEU A 51 -9.068 -20.252 -12.580 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.815 -17.590 -13.368 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.081 -17.752 -14.912 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.532 -18.656 -13.515 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.484 -20.703 -14.852 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.031 -20.516 -17.303 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.366 -19.458 -16.788 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.755 -18.770 -17.101 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.177 -20.985 -15.875 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.870 -19.256 -15.591 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -6.085 -20.359 -14.211 1.00 0.00 H new ATOM 813 N ASP A 52 -11.371 -19.974 -14.914 1.00 0.00 N ATOM 814 CA ASP A 52 -12.563 -20.235 -15.737 1.00 0.00 C ATOM 815 C ASP A 52 -13.837 -19.594 -15.152 1.00 0.00 C ATOM 816 O ASP A 52 -14.717 -19.173 -15.907 1.00 0.00 O ATOM 817 CB ASP A 52 -12.761 -21.751 -15.886 1.00 0.00 C ATOM 818 CG ASP A 52 -13.989 -22.105 -16.741 1.00 0.00 C ATOM 819 OD1 ASP A 52 -13.931 -21.939 -17.983 1.00 0.00 O ATOM 820 OD2 ASP A 52 -15.007 -22.576 -16.178 1.00 0.00 O ATOM 0 H ASP A 52 -11.016 -20.809 -14.447 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.394 -19.779 -16.712 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.870 -22.187 -16.338 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -12.869 -22.199 -14.898 1.00 0.00 H new ATOM 825 N ASN A 53 -13.929 -19.486 -13.819 1.00 0.00 N ATOM 826 CA ASN A 53 -15.086 -18.948 -13.104 1.00 0.00 C ATOM 827 C ASN A 53 -14.697 -17.812 -12.126 1.00 0.00 C ATOM 828 O ASN A 53 -14.709 -18.003 -10.906 1.00 0.00 O ATOM 829 CB ASN A 53 -15.848 -20.117 -12.453 1.00 0.00 C ATOM 830 CG ASN A 53 -17.293 -19.763 -12.148 1.00 0.00 C ATOM 831 OD1 ASN A 53 -17.702 -18.608 -12.105 1.00 0.00 O ATOM 832 ND2 ASN A 53 -18.131 -20.761 -11.987 1.00 0.00 N ATOM 0 H ASN A 53 -13.178 -19.780 -13.195 1.00 0.00 H new ATOM 0 HA ASN A 53 -15.764 -18.461 -13.805 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -15.820 -20.981 -13.117 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -15.345 -20.407 -11.531 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -19.121 -20.575 -11.826 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -17.792 -21.722 -12.023 1.00 0.00 H new ATOM 839 N PRO A 54 -14.381 -16.603 -12.639 1.00 0.00 N ATOM 840 CA PRO A 54 -14.088 -15.427 -11.813 1.00 0.00 C ATOM 841 C PRO A 54 -15.347 -14.815 -11.161 1.00 0.00 C ATOM 842 O PRO A 54 -15.234 -13.972 -10.268 1.00 0.00 O ATOM 843 CB PRO A 54 -13.414 -14.438 -12.774 1.00 0.00 C ATOM 844 CG PRO A 54 -14.064 -14.756 -14.120 1.00 0.00 C ATOM 845 CD PRO A 54 -14.265 -16.268 -14.054 1.00 0.00 C ATOM 0 HA PRO A 54 -13.453 -15.690 -10.967 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -13.591 -13.404 -12.476 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -12.334 -14.581 -12.805 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -15.009 -14.228 -14.247 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -13.425 -14.470 -14.955 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -15.161 -16.566 -14.599 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -13.425 -16.792 -14.510 1.00 0.00 H new ATOM 853 N LYS A 55 -16.545 -15.224 -11.609 1.00 0.00 N ATOM 854 CA LYS A 55 -17.863 -14.744 -11.161 1.00 0.00 C ATOM 855 C LYS A 55 -18.330 -15.456 -9.885 1.00 0.00 C ATOM 856 O LYS A 55 -18.461 -14.824 -8.836 1.00 0.00 O ATOM 857 CB LYS A 55 -18.879 -14.915 -12.307 1.00 0.00 C ATOM 858 CG LYS A 55 -18.619 -13.934 -13.466 1.00 0.00 C ATOM 859 CD LYS A 55 -19.508 -14.229 -14.687 1.00 0.00 C ATOM 860 CE LYS A 55 -19.064 -15.473 -15.478 1.00 0.00 C ATOM 861 NZ LYS A 55 -17.889 -15.196 -16.351 1.00 0.00 N ATOM 0 H LYS A 55 -16.625 -15.938 -12.333 1.00 0.00 H new ATOM 0 HA LYS A 55 -17.782 -13.687 -10.908 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -18.833 -15.938 -12.682 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -19.887 -14.761 -11.922 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -18.800 -12.915 -13.125 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -17.571 -13.991 -13.760 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -20.537 -14.367 -14.354 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -19.501 -13.364 -15.350 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -18.816 -16.274 -14.782 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -19.893 -15.827 -16.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -17.626 -16.062 -16.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -18.132 -14.450 -17.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -17.088 -14.883 -15.766 1.00 0.00 H new ATOM 875 N ILE A 56 -18.598 -16.761 -9.973 1.00 0.00 N ATOM 876 CA ILE A 56 -19.061 -17.607 -8.860 1.00 0.00 C ATOM 877 C ILE A 56 -17.848 -18.036 -8.022 1.00 0.00 C ATOM 878 O ILE A 56 -16.903 -18.630 -8.546 1.00 0.00 O ATOM 879 CB ILE A 56 -19.842 -18.843 -9.371 1.00 0.00 C ATOM 880 CG1 ILE A 56 -20.931 -18.458 -10.406 1.00 0.00 C ATOM 881 CG2 ILE A 56 -20.462 -19.592 -8.176 1.00 0.00 C ATOM 882 CD1 ILE A 56 -21.715 -19.644 -10.984 1.00 0.00 C ATOM 0 H ILE A 56 -18.497 -17.278 -10.846 1.00 0.00 H new ATOM 0 HA ILE A 56 -19.749 -17.031 -8.241 1.00 0.00 H new ATOM 0 HB ILE A 56 -19.139 -19.499 -9.884 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -21.634 -17.771 -9.935 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -20.458 -17.918 -11.226 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -21.011 -20.462 -8.537 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -19.671 -19.917 -7.500 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -21.143 -18.928 -7.644 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -22.453 -19.279 -11.698 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -21.028 -20.323 -11.488 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -22.221 -20.173 -10.177 1.00 0.00 H new ATOM 894 N GLN A 57 -17.862 -17.725 -6.724 1.00 0.00 N ATOM 895 CA GLN A 57 -16.787 -18.056 -5.779 1.00 0.00 C ATOM 896 C GLN A 57 -16.419 -19.552 -5.783 1.00 0.00 C ATOM 897 O GLN A 57 -17.281 -20.424 -5.644 1.00 0.00 O ATOM 898 CB GLN A 57 -17.121 -17.527 -4.371 1.00 0.00 C ATOM 899 CG GLN A 57 -18.259 -18.215 -3.585 1.00 0.00 C ATOM 900 CD GLN A 57 -19.628 -18.182 -4.269 1.00 0.00 C ATOM 901 OE1 GLN A 57 -20.236 -19.200 -4.568 1.00 0.00 O ATOM 902 NE2 GLN A 57 -20.174 -17.015 -4.552 1.00 0.00 N ATOM 0 H GLN A 57 -18.637 -17.225 -6.289 1.00 0.00 H new ATOM 0 HA GLN A 57 -15.886 -17.545 -6.119 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -16.215 -17.589 -3.768 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -17.371 -16.470 -4.463 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -17.982 -19.254 -3.409 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -18.346 -17.739 -2.608 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -19.686 -16.152 -4.312 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -21.084 -16.976 -5.011 1.00 0.00 H new ATOM 911 N LEU A 58 -15.131 -19.856 -5.967 1.00 0.00 N ATOM 912 CA LEU A 58 -14.608 -21.223 -6.025 1.00 0.00 C ATOM 913 C LEU A 58 -14.377 -21.780 -4.609 1.00 0.00 C ATOM 914 O LEU A 58 -13.679 -21.171 -3.794 1.00 0.00 O ATOM 915 CB LEU A 58 -13.324 -21.237 -6.887 1.00 0.00 C ATOM 916 CG LEU A 58 -13.203 -22.378 -7.913 1.00 0.00 C ATOM 917 CD1 LEU A 58 -13.062 -23.748 -7.252 1.00 0.00 C ATOM 918 CD2 LEU A 58 -14.382 -22.396 -8.892 1.00 0.00 C ATOM 0 H LEU A 58 -14.409 -19.145 -6.082 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.338 -21.881 -6.496 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -13.260 -20.289 -7.421 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -12.464 -21.285 -6.219 1.00 0.00 H new ATOM 0 HG LEU A 58 -12.288 -22.176 -8.470 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -12.980 -24.516 -8.021 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -12.167 -23.761 -6.629 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -13.938 -23.945 -6.633 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -14.256 -23.217 -9.598 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -15.312 -22.532 -8.339 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.418 -21.452 -9.436 1.00 0.00 H new ATOM 930 N THR A 59 -14.977 -22.934 -4.319 1.00 0.00 N ATOM 931 CA THR A 59 -14.963 -23.620 -3.014 1.00 0.00 C ATOM 932 C THR A 59 -14.526 -25.082 -3.151 1.00 0.00 C ATOM 933 O THR A 59 -14.431 -25.619 -4.261 1.00 0.00 O ATOM 934 CB THR A 59 -16.358 -23.569 -2.358 1.00 0.00 C ATOM 935 OG1 THR A 59 -17.285 -24.287 -3.147 1.00 0.00 O ATOM 936 CG2 THR A 59 -16.888 -22.145 -2.180 1.00 0.00 C ATOM 0 H THR A 59 -15.514 -23.447 -5.018 1.00 0.00 H new ATOM 0 HA THR A 59 -14.243 -23.098 -2.385 1.00 0.00 H new ATOM 0 HB THR A 59 -16.246 -24.013 -1.369 1.00 0.00 H new ATOM 0 HG1 THR A 59 -18.169 -24.253 -2.725 1.00 0.00 H new ATOM 0 HG21 THR A 59 -17.873 -22.179 -1.714 1.00 0.00 H new ATOM 0 HG22 THR A 59 -16.205 -21.579 -1.546 1.00 0.00 H new ATOM 0 HG23 THR A 59 -16.964 -21.661 -3.154 1.00 0.00 H new ATOM 944 N PHE A 60 -14.317 -25.768 -2.021 1.00 0.00 N ATOM 945 CA PHE A 60 -14.169 -27.226 -2.005 1.00 0.00 C ATOM 946 C PHE A 60 -15.384 -27.923 -2.640 1.00 0.00 C ATOM 947 O PHE A 60 -15.205 -28.798 -3.480 1.00 0.00 O ATOM 948 CB PHE A 60 -13.884 -27.738 -0.583 1.00 0.00 C ATOM 949 CG PHE A 60 -15.016 -27.595 0.422 1.00 0.00 C ATOM 950 CD1 PHE A 60 -15.207 -26.387 1.122 1.00 0.00 C ATOM 951 CD2 PHE A 60 -15.870 -28.687 0.680 1.00 0.00 C ATOM 952 CE1 PHE A 60 -16.250 -26.269 2.059 1.00 0.00 C ATOM 953 CE2 PHE A 60 -16.900 -28.574 1.631 1.00 0.00 C ATOM 954 CZ PHE A 60 -17.095 -27.362 2.316 1.00 0.00 C ATOM 0 H PHE A 60 -14.246 -25.332 -1.101 1.00 0.00 H new ATOM 0 HA PHE A 60 -13.305 -27.482 -2.618 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -13.613 -28.792 -0.646 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -13.014 -27.208 -0.196 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -14.551 -25.549 0.939 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -15.732 -29.615 0.145 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -16.402 -25.336 2.582 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -17.541 -29.419 1.835 1.00 0.00 H new ATOM 0 HZ PHE A 60 -17.893 -27.271 3.038 1.00 0.00 H new ATOM 964 N GLU A 61 -16.615 -27.504 -2.319 1.00 0.00 N ATOM 965 CA GLU A 61 -17.855 -28.082 -2.871 1.00 0.00 C ATOM 966 C GLU A 61 -17.942 -27.954 -4.399 1.00 0.00 C ATOM 967 O GLU A 61 -18.381 -28.891 -5.073 1.00 0.00 O ATOM 968 CB GLU A 61 -19.097 -27.422 -2.250 1.00 0.00 C ATOM 969 CG GLU A 61 -19.157 -27.543 -0.724 1.00 0.00 C ATOM 970 CD GLU A 61 -20.513 -27.051 -0.183 1.00 0.00 C ATOM 971 OE1 GLU A 61 -20.705 -25.820 -0.029 1.00 0.00 O ATOM 972 OE2 GLU A 61 -21.403 -27.893 0.093 1.00 0.00 O ATOM 0 H GLU A 61 -16.784 -26.744 -1.660 1.00 0.00 H new ATOM 0 HA GLU A 61 -17.827 -29.142 -2.617 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -19.113 -26.367 -2.523 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -19.991 -27.875 -2.678 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -19.000 -28.581 -0.432 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -18.351 -26.961 -0.278 1.00 0.00 H new ATOM 979 N ALA A 62 -17.514 -26.816 -4.956 1.00 0.00 N ATOM 980 CA ALA A 62 -17.392 -26.603 -6.396 1.00 0.00 C ATOM 981 C ALA A 62 -16.319 -27.520 -7.017 1.00 0.00 C ATOM 982 O ALA A 62 -16.583 -28.205 -8.004 1.00 0.00 O ATOM 983 CB ALA A 62 -17.101 -25.119 -6.654 1.00 0.00 C ATOM 0 H ALA A 62 -17.238 -26.003 -4.405 1.00 0.00 H new ATOM 0 HA ALA A 62 -18.331 -26.869 -6.882 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -17.008 -24.948 -7.726 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -17.917 -24.514 -6.259 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -16.171 -24.839 -6.160 1.00 0.00 H new ATOM 989 N THR A 63 -15.121 -27.575 -6.425 1.00 0.00 N ATOM 990 CA THR A 63 -14.004 -28.418 -6.899 1.00 0.00 C ATOM 991 C THR A 63 -14.377 -29.909 -6.912 1.00 0.00 C ATOM 992 O THR A 63 -14.160 -30.599 -7.911 1.00 0.00 O ATOM 993 CB THR A 63 -12.732 -28.199 -6.055 1.00 0.00 C ATOM 994 OG1 THR A 63 -12.431 -26.823 -5.937 1.00 0.00 O ATOM 995 CG2 THR A 63 -11.497 -28.833 -6.698 1.00 0.00 C ATOM 0 H THR A 63 -14.891 -27.031 -5.593 1.00 0.00 H new ATOM 0 HA THR A 63 -13.797 -28.111 -7.924 1.00 0.00 H new ATOM 0 HB THR A 63 -12.946 -28.655 -5.088 1.00 0.00 H new ATOM 0 HG1 THR A 63 -13.054 -26.405 -5.307 1.00 0.00 H new ATOM 0 HG21 THR A 63 -10.626 -28.653 -6.068 1.00 0.00 H new ATOM 0 HG22 THR A 63 -11.653 -29.907 -6.804 1.00 0.00 H new ATOM 0 HG23 THR A 63 -11.331 -28.392 -7.681 1.00 0.00 H new ATOM 1003 N LEU A 64 -14.985 -30.400 -5.825 1.00 0.00 N ATOM 1004 CA LEU A 64 -15.455 -31.779 -5.642 1.00 0.00 C ATOM 1005 C LEU A 64 -16.472 -32.215 -6.714 1.00 0.00 C ATOM 1006 O LEU A 64 -16.362 -33.330 -7.223 1.00 0.00 O ATOM 1007 CB LEU A 64 -16.055 -31.936 -4.223 1.00 0.00 C ATOM 1008 CG LEU A 64 -15.123 -32.494 -3.123 1.00 0.00 C ATOM 1009 CD1 LEU A 64 -14.910 -33.995 -3.304 1.00 0.00 C ATOM 1010 CD2 LEU A 64 -13.743 -31.836 -3.054 1.00 0.00 C ATOM 0 H LEU A 64 -15.172 -29.818 -5.009 1.00 0.00 H new ATOM 0 HA LEU A 64 -14.593 -32.436 -5.756 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -16.415 -30.960 -3.898 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -16.924 -32.590 -4.294 1.00 0.00 H new ATOM 0 HG LEU A 64 -15.643 -32.266 -2.192 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -14.251 -34.366 -2.519 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -15.870 -34.508 -3.245 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -14.457 -34.183 -4.277 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -13.162 -32.293 -2.253 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -13.226 -31.975 -4.003 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.858 -30.770 -2.856 1.00 0.00 H new ATOM 1022 N GLN A 65 -17.460 -31.372 -7.052 1.00 0.00 N ATOM 1023 CA GLN A 65 -18.496 -31.719 -8.042 1.00 0.00 C ATOM 1024 C GLN A 65 -18.072 -31.498 -9.508 1.00 0.00 C ATOM 1025 O GLN A 65 -18.605 -32.159 -10.403 1.00 0.00 O ATOM 1026 CB GLN A 65 -19.813 -30.994 -7.718 1.00 0.00 C ATOM 1027 CG GLN A 65 -19.814 -29.492 -8.044 1.00 0.00 C ATOM 1028 CD GLN A 65 -21.064 -28.806 -7.502 1.00 0.00 C ATOM 1029 OE1 GLN A 65 -22.032 -28.552 -8.208 1.00 0.00 O ATOM 1030 NE2 GLN A 65 -21.094 -28.490 -6.224 1.00 0.00 N ATOM 0 H GLN A 65 -17.565 -30.439 -6.652 1.00 0.00 H new ATOM 0 HA GLN A 65 -18.649 -32.795 -7.955 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -20.621 -31.473 -8.271 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -20.032 -31.122 -6.658 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -18.927 -29.025 -7.617 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -19.760 -29.352 -9.124 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -20.292 -28.698 -5.628 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -21.919 -28.038 -5.830 1.00 0.00 H new ATOM 1039 N GLN A 66 -17.128 -30.586 -9.775 1.00 0.00 N ATOM 1040 CA GLN A 66 -16.596 -30.318 -11.119 1.00 0.00 C ATOM 1041 C GLN A 66 -15.756 -31.488 -11.659 1.00 0.00 C ATOM 1042 O GLN A 66 -15.966 -31.943 -12.785 1.00 0.00 O ATOM 1043 CB GLN A 66 -15.758 -29.027 -11.094 1.00 0.00 C ATOM 1044 CG GLN A 66 -16.629 -27.758 -11.148 1.00 0.00 C ATOM 1045 CD GLN A 66 -17.101 -27.388 -12.558 1.00 0.00 C ATOM 1046 OE1 GLN A 66 -17.107 -28.178 -13.494 1.00 0.00 O ATOM 1047 NE2 GLN A 66 -17.512 -26.155 -12.775 1.00 0.00 N ATOM 0 H GLN A 66 -16.705 -30.004 -9.052 1.00 0.00 H new ATOM 0 HA GLN A 66 -17.444 -30.197 -11.793 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -15.151 -29.009 -10.189 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -15.070 -29.028 -11.939 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -17.501 -27.900 -10.509 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -16.063 -26.923 -10.734 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -17.517 -25.477 -12.013 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -17.825 -25.878 -13.705 1.00 0.00 H new ATOM 1056 N LEU A 67 -14.792 -31.966 -10.866 1.00 0.00 N ATOM 1057 CA LEU A 67 -13.917 -33.094 -11.201 1.00 0.00 C ATOM 1058 C LEU A 67 -14.689 -34.425 -11.045 1.00 0.00 C ATOM 1059 O LEU A 67 -15.409 -34.616 -10.066 1.00 0.00 O ATOM 1060 CB LEU A 67 -12.661 -32.959 -10.308 1.00 0.00 C ATOM 1061 CG LEU A 67 -11.374 -33.619 -10.843 1.00 0.00 C ATOM 1062 CD1 LEU A 67 -10.169 -32.992 -10.140 1.00 0.00 C ATOM 1063 CD2 LEU A 67 -11.281 -35.128 -10.604 1.00 0.00 C ATOM 0 H LEU A 67 -14.593 -31.568 -9.948 1.00 0.00 H new ATOM 0 HA LEU A 67 -13.591 -33.089 -12.241 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -12.463 -31.898 -10.152 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -12.886 -33.388 -9.332 1.00 0.00 H new ATOM 0 HG LEU A 67 -11.390 -33.453 -11.920 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -9.252 -33.451 -10.510 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -10.146 -31.921 -10.343 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.249 -33.156 -9.065 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -10.344 -35.504 -11.014 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -11.316 -35.330 -9.533 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -12.117 -35.626 -11.095 1.00 0.00 H new ATOM 1075 N GLU A 68 -14.547 -35.359 -11.991 1.00 0.00 N ATOM 1076 CA GLU A 68 -15.279 -36.643 -12.036 1.00 0.00 C ATOM 1077 C GLU A 68 -14.312 -37.845 -12.067 1.00 0.00 C ATOM 1078 O GLU A 68 -14.153 -38.526 -13.085 1.00 0.00 O ATOM 1079 CB GLU A 68 -16.266 -36.639 -13.221 1.00 0.00 C ATOM 1080 CG GLU A 68 -17.518 -35.780 -12.986 1.00 0.00 C ATOM 1081 CD GLU A 68 -18.551 -36.513 -12.104 1.00 0.00 C ATOM 1082 OE1 GLU A 68 -19.381 -37.280 -12.651 1.00 0.00 O ATOM 1083 OE2 GLU A 68 -18.547 -36.337 -10.861 1.00 0.00 O ATOM 0 H GLU A 68 -13.902 -35.245 -12.773 1.00 0.00 H new ATOM 0 HA GLU A 68 -15.861 -36.754 -11.121 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -15.750 -36.276 -14.110 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -16.574 -37.664 -13.428 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -17.233 -34.842 -12.510 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -17.971 -35.526 -13.944 1.00 0.00 H new ATOM 1090 N ALA A 69 -13.637 -38.094 -10.939 1.00 0.00 N ATOM 1091 CA ALA A 69 -12.719 -39.220 -10.721 1.00 0.00 C ATOM 1092 C ALA A 69 -12.562 -39.528 -9.209 1.00 0.00 C ATOM 1093 O ALA A 69 -12.911 -38.682 -8.379 1.00 0.00 O ATOM 1094 CB ALA A 69 -11.360 -38.880 -11.373 1.00 0.00 C ATOM 0 H ALA A 69 -13.718 -37.493 -10.119 1.00 0.00 H new ATOM 0 HA ALA A 69 -13.125 -40.120 -11.183 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -10.666 -39.707 -11.220 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -11.500 -38.717 -12.442 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -10.954 -37.977 -10.918 1.00 0.00 H new ATOM 1100 N PRO A 70 -11.965 -40.673 -8.815 1.00 0.00 N ATOM 1101 CA PRO A 70 -11.658 -40.973 -7.409 1.00 0.00 C ATOM 1102 C PRO A 70 -10.550 -40.081 -6.816 1.00 0.00 C ATOM 1103 O PRO A 70 -10.359 -40.059 -5.601 1.00 0.00 O ATOM 1104 CB PRO A 70 -11.267 -42.456 -7.388 1.00 0.00 C ATOM 1105 CG PRO A 70 -10.707 -42.700 -8.788 1.00 0.00 C ATOM 1106 CD PRO A 70 -11.551 -41.781 -9.669 1.00 0.00 C ATOM 0 HA PRO A 70 -12.523 -40.765 -6.779 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -10.525 -42.664 -6.617 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -12.126 -43.094 -7.183 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.647 -42.451 -8.846 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -10.806 -43.744 -9.085 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -10.975 -41.422 -10.522 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -12.416 -42.310 -10.068 1.00 0.00 H new ATOM 1114 N TYR A 71 -9.838 -39.312 -7.646 1.00 0.00 N ATOM 1115 CA TYR A 71 -8.760 -38.400 -7.250 1.00 0.00 C ATOM 1116 C TYR A 71 -9.233 -37.331 -6.244 1.00 0.00 C ATOM 1117 O TYR A 71 -8.617 -37.151 -5.194 1.00 0.00 O ATOM 1118 CB TYR A 71 -8.150 -37.772 -8.519 1.00 0.00 C ATOM 1119 CG TYR A 71 -7.070 -38.601 -9.219 1.00 0.00 C ATOM 1120 CD1 TYR A 71 -7.143 -40.011 -9.292 1.00 0.00 C ATOM 1121 CD2 TYR A 71 -5.970 -37.947 -9.810 1.00 0.00 C ATOM 1122 CE1 TYR A 71 -6.125 -40.751 -9.923 1.00 0.00 C ATOM 1123 CE2 TYR A 71 -4.944 -38.683 -10.439 1.00 0.00 C ATOM 1124 CZ TYR A 71 -5.017 -40.092 -10.499 1.00 0.00 C ATOM 1125 OH TYR A 71 -4.045 -40.813 -11.128 1.00 0.00 O ATOM 0 H TYR A 71 -10.004 -39.308 -8.652 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.992 -38.969 -6.726 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -8.954 -37.582 -9.230 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.724 -36.804 -8.254 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -7.988 -40.526 -8.859 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -5.912 -36.869 -9.781 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -6.192 -41.828 -9.967 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -4.101 -38.168 -10.876 1.00 0.00 H new ATOM 0 HH TYR A 71 -3.356 -40.205 -11.469 1.00 0.00 H new ATOM 1135 N ASN A 72 -10.353 -36.650 -6.525 1.00 0.00 N ATOM 1136 CA ASN A 72 -10.926 -35.633 -5.628 1.00 0.00 C ATOM 1137 C ASN A 72 -11.520 -36.195 -4.316 1.00 0.00 C ATOM 1138 O ASN A 72 -11.825 -35.419 -3.410 1.00 0.00 O ATOM 1139 CB ASN A 72 -11.965 -34.796 -6.398 1.00 0.00 C ATOM 1140 CG ASN A 72 -13.226 -35.564 -6.773 1.00 0.00 C ATOM 1141 OD1 ASN A 72 -13.936 -36.120 -5.949 1.00 0.00 O ATOM 1142 ND2 ASN A 72 -13.561 -35.617 -8.035 1.00 0.00 N ATOM 0 H ASN A 72 -10.889 -36.788 -7.382 1.00 0.00 H new ATOM 0 HA ASN A 72 -10.098 -35.001 -5.306 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -12.244 -33.934 -5.791 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -11.504 -34.410 -7.307 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -14.404 -36.117 -8.318 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -12.980 -35.158 -8.737 1.00 0.00 H new ATOM 1149 N SER A 73 -11.684 -37.521 -4.200 1.00 0.00 N ATOM 1150 CA SER A 73 -12.312 -38.186 -3.047 1.00 0.00 C ATOM 1151 C SER A 73 -11.554 -37.945 -1.731 1.00 0.00 C ATOM 1152 O SER A 73 -12.152 -37.962 -0.652 1.00 0.00 O ATOM 1153 CB SER A 73 -12.437 -39.690 -3.326 1.00 0.00 C ATOM 1154 OG SER A 73 -13.338 -40.309 -2.421 1.00 0.00 O ATOM 0 H SER A 73 -11.378 -38.175 -4.920 1.00 0.00 H new ATOM 0 HA SER A 73 -13.302 -37.748 -2.918 1.00 0.00 H new ATOM 0 HB2 SER A 73 -12.781 -39.845 -4.348 1.00 0.00 H new ATOM 0 HB3 SER A 73 -11.457 -40.160 -3.245 1.00 0.00 H new ATOM 0 HG SER A 73 -13.399 -41.266 -2.623 1.00 0.00 H new ATOM 1160 N ASP A 74 -10.250 -37.645 -1.801 1.00 0.00 N ATOM 1161 CA ASP A 74 -9.486 -37.068 -0.691 1.00 0.00 C ATOM 1162 C ASP A 74 -9.882 -35.590 -0.467 1.00 0.00 C ATOM 1163 O ASP A 74 -9.224 -34.650 -0.924 1.00 0.00 O ATOM 1164 CB ASP A 74 -7.980 -37.270 -0.917 1.00 0.00 C ATOM 1165 CG ASP A 74 -7.167 -37.060 0.376 1.00 0.00 C ATOM 1166 OD1 ASP A 74 -7.609 -36.301 1.272 1.00 0.00 O ATOM 1167 OD2 ASP A 74 -6.087 -37.683 0.505 1.00 0.00 O ATOM 0 H ASP A 74 -9.691 -37.799 -2.640 1.00 0.00 H new ATOM 0 HA ASP A 74 -9.733 -37.592 0.233 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.803 -38.276 -1.297 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.632 -36.575 -1.681 1.00 0.00 H new ATOM 1172 N THR A 75 -10.999 -35.390 0.236 1.00 0.00 N ATOM 1173 CA THR A 75 -11.531 -34.072 0.625 1.00 0.00 C ATOM 1174 C THR A 75 -10.507 -33.251 1.408 1.00 0.00 C ATOM 1175 O THR A 75 -10.304 -32.077 1.103 1.00 0.00 O ATOM 1176 CB THR A 75 -12.819 -34.198 1.458 1.00 0.00 C ATOM 1177 OG1 THR A 75 -12.658 -35.125 2.517 1.00 0.00 O ATOM 1178 CG2 THR A 75 -14.013 -34.649 0.615 1.00 0.00 C ATOM 0 H THR A 75 -11.580 -36.162 0.563 1.00 0.00 H new ATOM 0 HA THR A 75 -11.760 -33.554 -0.306 1.00 0.00 H new ATOM 0 HB THR A 75 -13.014 -33.201 1.854 1.00 0.00 H new ATOM 0 HG1 THR A 75 -13.491 -35.183 3.030 1.00 0.00 H new ATOM 0 HG21 THR A 75 -14.898 -34.723 1.247 1.00 0.00 H new ATOM 0 HG22 THR A 75 -14.194 -33.923 -0.178 1.00 0.00 H new ATOM 0 HG23 THR A 75 -13.800 -35.623 0.174 1.00 0.00 H new ATOM 1186 N VAL A 76 -9.819 -33.859 2.379 1.00 0.00 N ATOM 1187 CA VAL A 76 -8.781 -33.218 3.205 1.00 0.00 C ATOM 1188 C VAL A 76 -7.645 -32.651 2.344 1.00 0.00 C ATOM 1189 O VAL A 76 -7.236 -31.505 2.554 1.00 0.00 O ATOM 1190 CB VAL A 76 -8.243 -34.190 4.279 1.00 0.00 C ATOM 1191 CG1 VAL A 76 -7.210 -33.516 5.195 1.00 0.00 C ATOM 1192 CG2 VAL A 76 -9.379 -34.712 5.176 1.00 0.00 C ATOM 0 H VAL A 76 -9.970 -34.838 2.622 1.00 0.00 H new ATOM 0 HA VAL A 76 -9.246 -32.378 3.721 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.777 -35.011 3.734 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.857 -34.234 5.936 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.367 -33.167 4.598 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.671 -32.669 5.702 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -8.970 -35.394 5.922 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.862 -33.873 5.677 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.111 -35.240 4.565 1.00 0.00 H new ATOM 1202 N LEU A 77 -7.167 -33.401 1.344 1.00 0.00 N ATOM 1203 CA LEU A 77 -6.207 -32.910 0.351 1.00 0.00 C ATOM 1204 C LEU A 77 -6.757 -31.702 -0.425 1.00 0.00 C ATOM 1205 O LEU A 77 -6.095 -30.669 -0.452 1.00 0.00 O ATOM 1206 CB LEU A 77 -5.765 -34.059 -0.574 1.00 0.00 C ATOM 1207 CG LEU A 77 -4.740 -33.677 -1.660 1.00 0.00 C ATOM 1208 CD1 LEU A 77 -3.440 -33.113 -1.083 1.00 0.00 C ATOM 1209 CD2 LEU A 77 -4.384 -34.917 -2.482 1.00 0.00 C ATOM 0 H LEU A 77 -7.439 -34.374 1.201 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.321 -32.549 0.874 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -5.340 -34.853 0.039 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.649 -34.471 -1.061 1.00 0.00 H new ATOM 0 HG LEU A 77 -5.208 -32.904 -2.270 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.759 -32.863 -1.897 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.658 -32.216 -0.504 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.975 -33.858 -0.437 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.659 -34.648 -3.250 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.955 -35.676 -1.828 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.284 -35.311 -2.954 1.00 0.00 H new ATOM 1221 N VAL A 78 -7.961 -31.777 -1.009 1.00 0.00 N ATOM 1222 CA VAL A 78 -8.596 -30.635 -1.710 1.00 0.00 C ATOM 1223 C VAL A 78 -8.693 -29.389 -0.816 1.00 0.00 C ATOM 1224 O VAL A 78 -8.302 -28.301 -1.244 1.00 0.00 O ATOM 1225 CB VAL A 78 -9.981 -31.003 -2.288 1.00 0.00 C ATOM 1226 CG1 VAL A 78 -10.709 -29.776 -2.864 1.00 0.00 C ATOM 1227 CG2 VAL A 78 -9.844 -32.033 -3.416 1.00 0.00 C ATOM 0 H VAL A 78 -8.527 -32.626 -1.013 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.942 -30.392 -2.548 1.00 0.00 H new ATOM 0 HB VAL A 78 -10.558 -31.413 -1.459 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.678 -30.080 -3.259 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.854 -29.036 -2.077 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.111 -29.341 -3.665 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -10.831 -32.277 -3.808 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -9.229 -31.618 -4.215 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -9.374 -32.937 -3.028 1.00 0.00 H new ATOM 1237 N HIS A 79 -9.171 -29.543 0.425 1.00 0.00 N ATOM 1238 CA HIS A 79 -9.268 -28.471 1.422 1.00 0.00 C ATOM 1239 C HIS A 79 -7.904 -27.795 1.636 1.00 0.00 C ATOM 1240 O HIS A 79 -7.779 -26.579 1.471 1.00 0.00 O ATOM 1241 CB HIS A 79 -9.826 -29.009 2.754 1.00 0.00 C ATOM 1242 CG HIS A 79 -11.299 -29.355 2.788 1.00 0.00 C ATOM 1243 ND1 HIS A 79 -12.088 -29.337 3.921 1.00 0.00 N ATOM 1244 CD2 HIS A 79 -12.086 -29.793 1.754 1.00 0.00 C ATOM 1245 CE1 HIS A 79 -13.318 -29.761 3.581 1.00 0.00 C ATOM 1246 NE2 HIS A 79 -13.358 -30.063 2.273 1.00 0.00 N ATOM 0 H HIS A 79 -9.510 -30.440 0.772 1.00 0.00 H new ATOM 0 HA HIS A 79 -9.961 -27.721 1.042 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -9.261 -29.902 3.023 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -9.634 -28.265 3.528 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -11.780 -29.909 0.725 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -14.153 -29.846 4.261 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -14.161 -30.421 1.756 1.00 0.00 H new ATOM 1254 N ARG A 80 -6.864 -28.577 1.961 1.00 0.00 N ATOM 1255 CA ARG A 80 -5.487 -28.085 2.126 1.00 0.00 C ATOM 1256 C ARG A 80 -4.934 -27.417 0.866 1.00 0.00 C ATOM 1257 O ARG A 80 -4.406 -26.315 0.973 1.00 0.00 O ATOM 1258 CB ARG A 80 -4.567 -29.211 2.623 1.00 0.00 C ATOM 1259 CG ARG A 80 -4.622 -29.334 4.153 1.00 0.00 C ATOM 1260 CD ARG A 80 -3.668 -30.420 4.662 1.00 0.00 C ATOM 1261 NE ARG A 80 -3.296 -30.187 6.072 1.00 0.00 N ATOM 1262 CZ ARG A 80 -2.597 -30.984 6.862 1.00 0.00 C ATOM 1263 NH1 ARG A 80 -2.211 -32.171 6.487 1.00 0.00 N ATOM 1264 NH2 ARG A 80 -2.263 -30.594 8.059 1.00 0.00 N ATOM 0 H ARG A 80 -6.956 -29.581 2.119 1.00 0.00 H new ATOM 0 HA ARG A 80 -5.517 -27.304 2.885 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -4.865 -30.156 2.168 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -3.542 -29.014 2.307 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -4.361 -28.377 4.606 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -5.640 -29.567 4.464 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -4.141 -31.397 4.565 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -2.770 -30.437 4.044 1.00 0.00 H new ATOM 0 HE ARG A 80 -3.615 -29.310 6.484 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -2.447 -32.514 5.556 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -1.673 -32.757 7.125 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -2.541 -29.670 8.390 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -1.724 -31.212 8.665 1.00 0.00 H new ATOM 1278 N VAL A 81 -5.071 -28.031 -0.313 1.00 0.00 N ATOM 1279 CA VAL A 81 -4.612 -27.474 -1.602 1.00 0.00 C ATOM 1280 C VAL A 81 -5.182 -26.072 -1.826 1.00 0.00 C ATOM 1281 O VAL A 81 -4.406 -25.119 -1.923 1.00 0.00 O ATOM 1282 CB VAL A 81 -4.911 -28.419 -2.788 1.00 0.00 C ATOM 1283 CG1 VAL A 81 -4.589 -27.768 -4.143 1.00 0.00 C ATOM 1284 CG2 VAL A 81 -4.065 -29.696 -2.717 1.00 0.00 C ATOM 0 H VAL A 81 -5.511 -28.946 -0.407 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.527 -27.385 -1.551 1.00 0.00 H new ATOM 0 HB VAL A 81 -5.975 -28.644 -2.712 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.815 -28.469 -4.946 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -5.191 -26.868 -4.267 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.532 -27.505 -4.178 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.302 -30.337 -3.566 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -3.007 -29.434 -2.744 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -4.284 -30.226 -1.790 1.00 0.00 H new ATOM 1294 N HIS A 82 -6.511 -25.908 -1.874 1.00 0.00 N ATOM 1295 CA HIS A 82 -7.095 -24.582 -2.111 1.00 0.00 C ATOM 1296 C HIS A 82 -6.776 -23.584 -0.980 1.00 0.00 C ATOM 1297 O HIS A 82 -6.572 -22.400 -1.253 1.00 0.00 O ATOM 1298 CB HIS A 82 -8.601 -24.676 -2.423 1.00 0.00 C ATOM 1299 CG HIS A 82 -9.534 -24.738 -1.235 1.00 0.00 C ATOM 1300 ND1 HIS A 82 -9.812 -23.701 -0.367 1.00 0.00 N ATOM 1301 CD2 HIS A 82 -10.332 -25.792 -0.880 1.00 0.00 C ATOM 1302 CE1 HIS A 82 -10.728 -24.132 0.517 1.00 0.00 C ATOM 1303 NE2 HIS A 82 -11.081 -25.397 0.235 1.00 0.00 N ATOM 0 H HIS A 82 -7.190 -26.660 -1.755 1.00 0.00 H new ATOM 0 HA HIS A 82 -6.616 -24.175 -3.001 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -8.878 -23.814 -3.030 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -8.768 -25.563 -3.034 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -9.395 -22.770 -0.392 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -10.376 -26.753 -1.371 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -11.123 -23.547 1.335 1.00 0.00 H new ATOM 1311 N SER A 83 -6.693 -24.048 0.276 1.00 0.00 N ATOM 1312 CA SER A 83 -6.318 -23.232 1.440 1.00 0.00 C ATOM 1313 C SER A 83 -4.905 -22.655 1.303 1.00 0.00 C ATOM 1314 O SER A 83 -4.751 -21.434 1.263 1.00 0.00 O ATOM 1315 CB SER A 83 -6.454 -24.035 2.741 1.00 0.00 C ATOM 1316 OG SER A 83 -6.146 -23.234 3.870 1.00 0.00 O ATOM 0 H SER A 83 -6.889 -25.020 0.515 1.00 0.00 H new ATOM 0 HA SER A 83 -7.011 -22.391 1.480 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.470 -24.419 2.830 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.788 -24.898 2.711 1.00 0.00 H new ATOM 0 HG SER A 83 -6.242 -23.768 4.686 1.00 0.00 H new ATOM 1322 N TYR A 84 -3.873 -23.501 1.186 1.00 0.00 N ATOM 1323 CA TYR A 84 -2.479 -23.061 1.061 1.00 0.00 C ATOM 1324 C TYR A 84 -2.254 -22.148 -0.153 1.00 0.00 C ATOM 1325 O TYR A 84 -1.573 -21.132 -0.016 1.00 0.00 O ATOM 1326 CB TYR A 84 -1.521 -24.265 1.029 1.00 0.00 C ATOM 1327 CG TYR A 84 -1.339 -24.974 2.366 1.00 0.00 C ATOM 1328 CD1 TYR A 84 -0.813 -24.275 3.472 1.00 0.00 C ATOM 1329 CD2 TYR A 84 -1.661 -26.338 2.501 1.00 0.00 C ATOM 1330 CE1 TYR A 84 -0.637 -24.927 4.710 1.00 0.00 C ATOM 1331 CE2 TYR A 84 -1.479 -26.998 3.731 1.00 0.00 C ATOM 1332 CZ TYR A 84 -0.976 -26.293 4.843 1.00 0.00 C ATOM 1333 OH TYR A 84 -0.818 -26.937 6.033 1.00 0.00 O ATOM 0 H TYR A 84 -3.983 -24.515 1.175 1.00 0.00 H new ATOM 0 HA TYR A 84 -2.258 -22.466 1.947 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.890 -24.986 0.299 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.546 -23.926 0.678 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -0.543 -23.234 3.370 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -2.051 -26.883 1.654 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.243 -24.383 5.556 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -1.725 -28.046 3.823 1.00 0.00 H new ATOM 0 HH TYR A 84 -1.103 -27.870 5.940 1.00 0.00 H new ATOM 1343 N LEU A 85 -2.847 -22.450 -1.315 1.00 0.00 N ATOM 1344 CA LEU A 85 -2.760 -21.596 -2.509 1.00 0.00 C ATOM 1345 C LEU A 85 -3.383 -20.204 -2.284 1.00 0.00 C ATOM 1346 O LEU A 85 -2.722 -19.194 -2.530 1.00 0.00 O ATOM 1347 CB LEU A 85 -3.388 -22.311 -3.720 1.00 0.00 C ATOM 1348 CG LEU A 85 -2.382 -23.135 -4.547 1.00 0.00 C ATOM 1349 CD1 LEU A 85 -1.662 -24.252 -3.786 1.00 0.00 C ATOM 1350 CD2 LEU A 85 -3.120 -23.779 -5.716 1.00 0.00 C ATOM 0 H LEU A 85 -3.402 -23.294 -1.455 1.00 0.00 H new ATOM 0 HA LEU A 85 -1.704 -21.424 -2.717 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.182 -22.970 -3.369 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.854 -21.568 -4.367 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.615 -22.425 -4.854 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.978 -24.769 -4.459 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.100 -23.823 -2.957 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.395 -24.960 -3.400 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.419 -24.366 -6.310 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.907 -24.430 -5.335 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.562 -23.002 -6.339 1.00 0.00 H new ATOM 1362 N GLU A 86 -4.625 -20.123 -1.798 1.00 0.00 N ATOM 1363 CA GLU A 86 -5.290 -18.839 -1.520 1.00 0.00 C ATOM 1364 C GLU A 86 -4.556 -18.024 -0.439 1.00 0.00 C ATOM 1365 O GLU A 86 -4.384 -16.811 -0.585 1.00 0.00 O ATOM 1366 CB GLU A 86 -6.758 -19.089 -1.125 1.00 0.00 C ATOM 1367 CG GLU A 86 -7.583 -17.810 -0.890 1.00 0.00 C ATOM 1368 CD GLU A 86 -7.642 -16.860 -2.108 1.00 0.00 C ATOM 1369 OE1 GLU A 86 -7.722 -17.342 -3.262 1.00 0.00 O ATOM 1370 OE2 GLU A 86 -7.651 -15.619 -1.915 1.00 0.00 O ATOM 0 H GLU A 86 -5.199 -20.939 -1.586 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.261 -18.241 -2.431 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -7.237 -19.676 -1.909 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.779 -19.692 -0.217 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -8.599 -18.092 -0.614 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.161 -17.270 -0.042 1.00 0.00 H new ATOM 1377 N ARG A 87 -4.093 -18.679 0.638 1.00 0.00 N ATOM 1378 CA ARG A 87 -3.352 -18.045 1.742 1.00 0.00 C ATOM 1379 C ARG A 87 -1.962 -17.550 1.315 1.00 0.00 C ATOM 1380 O ARG A 87 -1.521 -16.501 1.786 1.00 0.00 O ATOM 1381 CB ARG A 87 -3.271 -19.029 2.928 1.00 0.00 C ATOM 1382 CG ARG A 87 -3.106 -18.359 4.301 1.00 0.00 C ATOM 1383 CD ARG A 87 -4.386 -17.623 4.727 1.00 0.00 C ATOM 1384 NE ARG A 87 -4.334 -17.203 6.141 1.00 0.00 N ATOM 1385 CZ ARG A 87 -5.341 -16.760 6.874 1.00 0.00 C ATOM 1386 NH1 ARG A 87 -6.541 -16.605 6.387 1.00 0.00 N ATOM 1387 NH2 ARG A 87 -5.162 -16.464 8.130 1.00 0.00 N ATOM 0 H ARG A 87 -4.225 -19.682 0.769 1.00 0.00 H new ATOM 0 HA ARG A 87 -3.896 -17.153 2.052 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -4.175 -19.638 2.941 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -2.433 -19.706 2.765 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -2.853 -19.113 5.047 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -2.275 -17.655 4.266 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -4.530 -16.748 4.093 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.247 -18.273 4.573 1.00 0.00 H new ATOM 0 HE ARG A 87 -3.425 -17.261 6.601 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -6.727 -16.828 5.409 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -7.293 -16.261 6.984 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -4.241 -16.574 8.553 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -5.943 -16.123 8.690 1.00 0.00 H new ATOM 1401 N HIS A 88 -1.291 -18.266 0.408 1.00 0.00 N ATOM 1402 CA HIS A 88 -0.043 -17.850 -0.243 1.00 0.00 C ATOM 1403 C HIS A 88 -0.246 -16.608 -1.130 1.00 0.00 C ATOM 1404 O HIS A 88 0.461 -15.609 -0.962 1.00 0.00 O ATOM 1405 CB HIS A 88 0.532 -19.030 -1.046 1.00 0.00 C ATOM 1406 CG HIS A 88 1.739 -18.698 -1.892 1.00 0.00 C ATOM 1407 ND1 HIS A 88 2.818 -17.921 -1.522 1.00 0.00 N ATOM 1408 CD2 HIS A 88 1.956 -19.121 -3.176 1.00 0.00 C ATOM 1409 CE1 HIS A 88 3.665 -17.870 -2.565 1.00 0.00 C ATOM 1410 NE2 HIS A 88 3.181 -18.587 -3.595 1.00 0.00 N ATOM 0 H HIS A 88 -1.612 -19.182 0.095 1.00 0.00 H new ATOM 0 HA HIS A 88 0.673 -17.563 0.527 1.00 0.00 H new ATOM 0 HB2 HIS A 88 0.801 -19.826 -0.351 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -0.250 -19.424 -1.695 1.00 0.00 H new ATOM 0 HD2 HIS A 88 1.302 -19.752 -3.759 1.00 0.00 H new ATOM 0 HE1 HIS A 88 4.600 -17.330 -2.574 1.00 0.00 H new ATOM 0 HE2 HIS A 88 3.621 -18.717 -4.506 1.00 0.00 H new ATOM 1418 N GLY A 89 -1.211 -16.648 -2.056 1.00 0.00 N ATOM 1419 CA GLY A 89 -1.574 -15.504 -2.897 1.00 0.00 C ATOM 1420 C GLY A 89 -2.416 -15.879 -4.120 1.00 0.00 C ATOM 1421 O GLY A 89 -3.641 -15.947 -4.030 1.00 0.00 O ATOM 0 H GLY A 89 -1.766 -17.483 -2.243 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.126 -14.783 -2.295 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.663 -15.008 -3.233 1.00 0.00 H new