USER MOD reduce.3.24.130724 H: found=0, std=0, add=659, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 661 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 15 LYS NZ :NH3+ 168:sc=-0.00734 (180deg=-0.13) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -36:sc= 0.189! USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0.485 K(o=0.49,f=-0.46) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.563 USER MOD Single : A 34 SER OG : rot 180:sc= 0.00245 USER MOD Single : A 36 HIS : no HD1:sc= -6.11! C(o=-6.1!,f=-5.8!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0774 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -1:sc= 0.321! USER MOD Single : A 50 SER OG : rot -41:sc= -1.04 USER MOD Single : A 51 LYS NZ :NH3+ 137:sc= -0.393 (180deg=-1.96!) USER MOD Single : A 54 ASN : amide:sc= -0.173 X(o=-0.17,f=-0.23) USER MOD Single : A 68 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0524) USER MOD Single : A 75 GLN : amide:sc= -0.0219 X(o=-0.022,f=-0.13) USER MOD Single : A 77 MET CE :methyl 170:sc= -0.911 (180deg=-1.28) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.0749 X(o=-0.075,f=0) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 164 N LEU A 14 10.351 29.390 -7.927 1.00 0.00 N ATOM 165 CA LEU A 14 9.125 28.615 -8.080 1.00 0.00 C ATOM 166 C LEU A 14 9.393 27.127 -7.878 1.00 0.00 C ATOM 167 O LEU A 14 10.421 26.605 -8.312 1.00 0.00 O ATOM 168 CB LEU A 14 8.517 28.852 -9.463 1.00 0.00 C ATOM 169 CG LEU A 14 7.484 27.825 -9.928 1.00 0.00 C ATOM 170 CD1 LEU A 14 6.259 27.855 -9.027 1.00 0.00 C ATOM 171 CD2 LEU A 14 7.090 28.082 -11.375 1.00 0.00 C ATOM 0 HA LEU A 14 8.419 28.945 -7.318 1.00 0.00 H new ATOM 0 HB2 LEU A 14 8.049 29.836 -9.468 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.326 28.880 -10.193 1.00 0.00 H new ATOM 0 HG LEU A 14 7.932 26.833 -9.865 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.535 27.118 -9.373 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.554 27.621 -8.004 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.809 28.847 -9.057 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.354 27.342 -11.689 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.661 29.080 -11.463 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.972 28.009 -12.011 1.00 0.00 H new ATOM 183 N LYS A 15 8.461 26.447 -7.219 1.00 0.00 N ATOM 184 CA LYS A 15 8.594 25.018 -6.962 1.00 0.00 C ATOM 185 C LYS A 15 7.283 24.291 -7.243 1.00 0.00 C ATOM 186 O LYS A 15 6.225 24.913 -7.341 1.00 0.00 O ATOM 187 CB LYS A 15 9.023 24.777 -5.513 1.00 0.00 C ATOM 188 CG LYS A 15 10.314 25.483 -5.135 1.00 0.00 C ATOM 189 CD LYS A 15 10.358 25.808 -3.651 1.00 0.00 C ATOM 190 CE LYS A 15 10.353 24.545 -2.804 1.00 0.00 C ATOM 191 NZ LYS A 15 11.599 23.750 -2.986 1.00 0.00 N ATOM 0 H LYS A 15 7.605 26.863 -6.853 1.00 0.00 H new ATOM 0 HA LYS A 15 9.359 24.623 -7.631 1.00 0.00 H new ATOM 0 HB2 LYS A 15 8.228 25.111 -4.847 1.00 0.00 H new ATOM 0 HB3 LYS A 15 9.144 23.706 -5.352 1.00 0.00 H new ATOM 0 HG2 LYS A 15 11.164 24.853 -5.396 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.410 26.402 -5.713 1.00 0.00 H new ATOM 0 HD2 LYS A 15 11.252 26.391 -3.431 1.00 0.00 H new ATOM 0 HD3 LYS A 15 9.501 26.428 -3.387 1.00 0.00 H new ATOM 0 HE2 LYS A 15 10.243 24.813 -1.753 1.00 0.00 H new ATOM 0 HE3 LYS A 15 9.490 23.934 -3.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 11.652 23.014 -2.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 11.592 23.303 -3.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 12.425 24.377 -2.907 1.00 0.00 H new ATOM 205 N TYR A 16 7.360 22.971 -7.370 1.00 0.00 N ATOM 206 CA TYR A 16 6.179 22.159 -7.640 1.00 0.00 C ATOM 207 C TYR A 16 6.372 20.732 -7.136 1.00 0.00 C ATOM 208 O TYR A 16 7.496 20.237 -7.057 1.00 0.00 O ATOM 209 CB TYR A 16 5.876 22.146 -9.139 1.00 0.00 C ATOM 210 CG TYR A 16 7.100 21.946 -10.003 1.00 0.00 C ATOM 211 CD1 TYR A 16 7.680 20.691 -10.141 1.00 0.00 C ATOM 212 CD2 TYR A 16 7.678 23.012 -10.681 1.00 0.00 C ATOM 213 CE1 TYR A 16 8.800 20.503 -10.928 1.00 0.00 C ATOM 214 CE2 TYR A 16 8.797 22.834 -11.472 1.00 0.00 C ATOM 215 CZ TYR A 16 9.354 21.578 -11.592 1.00 0.00 C ATOM 216 OH TYR A 16 10.469 21.396 -12.378 1.00 0.00 O ATOM 0 H TYR A 16 8.228 22.440 -7.290 1.00 0.00 H new ATOM 0 HA TYR A 16 5.336 22.601 -7.109 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.160 21.352 -9.349 1.00 0.00 H new ATOM 0 HB3 TYR A 16 5.398 23.087 -9.413 1.00 0.00 H new ATOM 0 HD1 TYR A 16 7.248 19.847 -9.624 1.00 0.00 H new ATOM 0 HD2 TYR A 16 7.245 23.997 -10.588 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.239 19.521 -11.023 1.00 0.00 H new ATOM 0 HE2 TYR A 16 9.233 23.674 -11.993 1.00 0.00 H new ATOM 0 HH TYR A 16 10.732 22.252 -12.776 1.00 0.00 H new ATOM 226 N GLU A 17 5.266 20.076 -6.798 1.00 0.00 N ATOM 227 CA GLU A 17 5.313 18.706 -6.302 1.00 0.00 C ATOM 228 C GLU A 17 4.227 17.854 -6.953 1.00 0.00 C ATOM 229 O GLU A 17 3.036 18.132 -6.810 1.00 0.00 O ATOM 230 CB GLU A 17 5.149 18.685 -4.781 1.00 0.00 C ATOM 231 CG GLU A 17 5.681 17.420 -4.129 1.00 0.00 C ATOM 232 CD GLU A 17 4.639 16.320 -4.055 1.00 0.00 C ATOM 233 OE1 GLU A 17 3.484 16.622 -3.690 1.00 0.00 O ATOM 234 OE2 GLU A 17 4.979 15.158 -4.361 1.00 0.00 O ATOM 0 H GLU A 17 4.328 20.471 -6.859 1.00 0.00 H new ATOM 0 HA GLU A 17 6.285 18.286 -6.562 1.00 0.00 H new ATOM 0 HB2 GLU A 17 5.664 19.547 -4.357 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.092 18.793 -4.536 1.00 0.00 H new ATOM 0 HG2 GLU A 17 6.544 17.061 -4.691 1.00 0.00 H new ATOM 0 HG3 GLU A 17 6.030 17.653 -3.123 1.00 0.00 H new ATOM 241 N ASP A 18 4.647 16.816 -7.668 1.00 0.00 N ATOM 242 CA ASP A 18 3.711 15.923 -8.341 1.00 0.00 C ATOM 243 C ASP A 18 2.732 15.310 -7.344 1.00 0.00 C ATOM 244 O ASP A 18 3.132 14.816 -6.289 1.00 0.00 O ATOM 245 CB ASP A 18 4.469 14.816 -9.077 1.00 0.00 C ATOM 246 CG ASP A 18 5.156 15.320 -10.331 1.00 0.00 C ATOM 247 OD1 ASP A 18 6.198 15.996 -10.205 1.00 0.00 O ATOM 248 OD2 ASP A 18 4.650 15.040 -11.438 1.00 0.00 O ATOM 0 H ASP A 18 5.629 16.572 -7.796 1.00 0.00 H new ATOM 0 HA ASP A 18 3.145 16.509 -9.065 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.212 14.382 -8.408 1.00 0.00 H new ATOM 0 HB3 ASP A 18 3.775 14.019 -9.342 1.00 0.00 H new ATOM 253 N LEU A 19 1.448 15.347 -7.685 1.00 0.00 N ATOM 254 CA LEU A 19 0.411 14.797 -6.819 1.00 0.00 C ATOM 255 C LEU A 19 -0.315 13.644 -7.506 1.00 0.00 C ATOM 256 O LEU A 19 -0.715 12.675 -6.860 1.00 0.00 O ATOM 257 CB LEU A 19 -0.589 15.887 -6.432 1.00 0.00 C ATOM 258 CG LEU A 19 -0.311 16.617 -5.117 1.00 0.00 C ATOM 259 CD1 LEU A 19 -1.342 17.710 -4.885 1.00 0.00 C ATOM 260 CD2 LEU A 19 -0.301 15.635 -3.954 1.00 0.00 C ATOM 0 H LEU A 19 1.101 15.752 -8.554 1.00 0.00 H new ATOM 0 HA LEU A 19 0.889 14.416 -5.917 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.621 16.624 -7.234 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.580 15.438 -6.373 1.00 0.00 H new ATOM 0 HG LEU A 19 0.673 17.082 -5.183 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.128 18.218 -3.945 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.301 18.429 -5.704 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.337 17.268 -4.840 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.102 16.172 -3.026 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.270 15.141 -3.886 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.476 14.888 -4.115 1.00 0.00 H new ATOM 272 N THR A 20 -0.482 13.755 -8.820 1.00 0.00 N ATOM 273 CA THR A 20 -1.159 12.723 -9.595 1.00 0.00 C ATOM 274 C THR A 20 -0.835 12.848 -11.079 1.00 0.00 C ATOM 275 O THR A 20 -1.194 13.835 -11.720 1.00 0.00 O ATOM 276 CB THR A 20 -2.686 12.790 -9.406 1.00 0.00 C ATOM 277 OG1 THR A 20 -2.999 13.062 -8.036 1.00 0.00 O ATOM 278 CG2 THR A 20 -3.342 11.486 -9.833 1.00 0.00 C ATOM 0 H THR A 20 -0.157 14.550 -9.370 1.00 0.00 H new ATOM 0 HA THR A 20 -0.797 11.763 -9.227 1.00 0.00 H new ATOM 0 HB THR A 20 -3.072 13.594 -10.032 1.00 0.00 H new ATOM 0 HG1 THR A 20 -2.350 12.611 -7.456 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.420 11.557 -9.690 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.127 11.298 -10.885 1.00 0.00 H new ATOM 0 HG23 THR A 20 -2.950 10.667 -9.230 1.00 0.00 H new ATOM 286 N GLU A 21 -0.155 11.841 -11.619 1.00 0.00 N ATOM 287 CA GLU A 21 0.216 11.841 -13.029 1.00 0.00 C ATOM 288 C GLU A 21 -1.024 11.862 -13.918 1.00 0.00 C ATOM 289 O GLU A 21 -2.092 11.396 -13.524 1.00 0.00 O ATOM 290 CB GLU A 21 1.069 10.613 -13.354 1.00 0.00 C ATOM 291 CG GLU A 21 1.791 10.708 -14.688 1.00 0.00 C ATOM 292 CD GLU A 21 2.922 9.707 -14.812 1.00 0.00 C ATOM 293 OE1 GLU A 21 4.000 9.954 -14.231 1.00 0.00 O ATOM 294 OE2 GLU A 21 2.731 8.676 -15.490 1.00 0.00 O ATOM 0 H GLU A 21 0.150 11.016 -11.102 1.00 0.00 H new ATOM 0 HA GLU A 21 0.798 12.742 -13.225 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.804 10.472 -12.562 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.431 9.729 -13.358 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.077 10.546 -15.496 1.00 0.00 H new ATOM 0 HG3 GLU A 21 2.188 11.716 -14.811 1.00 0.00 H new ATOM 301 N GLY A 22 -0.873 12.406 -15.122 1.00 0.00 N ATOM 302 CA GLY A 22 -1.987 12.480 -16.048 1.00 0.00 C ATOM 303 C GLY A 22 -1.631 11.957 -17.426 1.00 0.00 C ATOM 304 O GLY A 22 -0.606 12.332 -17.994 1.00 0.00 O ATOM 0 H GLY A 22 0.002 12.797 -15.472 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.825 11.907 -15.650 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.319 13.515 -16.130 1.00 0.00 H new ATOM 308 N SER A 23 -2.480 11.086 -17.964 1.00 0.00 N ATOM 309 CA SER A 23 -2.246 10.506 -19.281 1.00 0.00 C ATOM 310 C SER A 23 -3.186 11.116 -20.317 1.00 0.00 C ATOM 311 O SER A 23 -3.787 10.405 -21.121 1.00 0.00 O ATOM 312 CB SER A 23 -2.436 8.989 -19.235 1.00 0.00 C ATOM 313 OG SER A 23 -3.782 8.652 -18.943 1.00 0.00 O ATOM 0 H SER A 23 -3.335 10.767 -17.508 1.00 0.00 H new ATOM 0 HA SER A 23 -1.219 10.728 -19.571 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.148 8.554 -20.192 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.778 8.560 -18.479 1.00 0.00 H new ATOM 0 HG SER A 23 -3.878 7.677 -18.921 1.00 0.00 H new ATOM 319 N GLY A 24 -3.306 12.440 -20.291 1.00 0.00 N ATOM 320 CA GLY A 24 -4.173 13.124 -21.232 1.00 0.00 C ATOM 321 C GLY A 24 -3.399 13.957 -22.234 1.00 0.00 C ATOM 322 O GLY A 24 -3.135 13.511 -23.351 1.00 0.00 O ATOM 0 H GLY A 24 -2.818 13.051 -19.635 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.777 12.390 -21.765 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.862 13.767 -20.685 1.00 0.00 H new ATOM 326 N ALA A 25 -3.034 15.172 -21.836 1.00 0.00 N ATOM 327 CA ALA A 25 -2.285 16.069 -22.707 1.00 0.00 C ATOM 328 C ALA A 25 -1.910 17.355 -21.979 1.00 0.00 C ATOM 329 O ALA A 25 -2.736 17.950 -21.287 1.00 0.00 O ATOM 330 CB ALA A 25 -3.091 16.384 -23.958 1.00 0.00 C ATOM 0 H ALA A 25 -3.245 15.557 -20.915 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.363 15.566 -22.999 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.520 17.055 -24.600 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.303 15.460 -24.496 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.029 16.863 -23.676 1.00 0.00 H new ATOM 336 N GLU A 26 -0.660 17.777 -22.139 1.00 0.00 N ATOM 337 CA GLU A 26 -0.177 18.993 -21.494 1.00 0.00 C ATOM 338 C GLU A 26 -0.997 20.203 -21.931 1.00 0.00 C ATOM 339 O GLU A 26 -1.466 20.271 -23.066 1.00 0.00 O ATOM 340 CB GLU A 26 1.300 19.219 -21.824 1.00 0.00 C ATOM 341 CG GLU A 26 1.530 19.856 -23.184 1.00 0.00 C ATOM 342 CD GLU A 26 0.957 19.030 -24.319 1.00 0.00 C ATOM 343 OE1 GLU A 26 1.121 17.793 -24.296 1.00 0.00 O ATOM 344 OE2 GLU A 26 0.343 19.623 -25.231 1.00 0.00 O ATOM 0 H GLU A 26 0.036 17.296 -22.709 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.287 18.871 -20.417 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.742 19.853 -21.056 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.822 18.263 -21.787 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.078 20.848 -23.198 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.600 19.991 -23.342 1.00 0.00 H new ATOM 351 N ALA A 27 -1.166 21.156 -21.020 1.00 0.00 N ATOM 352 CA ALA A 27 -1.927 22.365 -21.310 1.00 0.00 C ATOM 353 C ALA A 27 -1.317 23.131 -22.478 1.00 0.00 C ATOM 354 O ALA A 27 -0.106 23.354 -22.522 1.00 0.00 O ATOM 355 CB ALA A 27 -2.002 23.251 -20.076 1.00 0.00 C ATOM 0 H ALA A 27 -0.786 21.114 -20.074 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.937 22.069 -21.592 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.573 24.150 -20.308 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.492 22.708 -19.268 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.995 23.531 -19.767 1.00 0.00 H new ATOM 361 N ARG A 28 -2.161 23.532 -23.423 1.00 0.00 N ATOM 362 CA ARG A 28 -1.703 24.272 -24.593 1.00 0.00 C ATOM 363 C ARG A 28 -1.764 25.776 -24.342 1.00 0.00 C ATOM 364 O ARG A 28 -2.480 26.239 -23.455 1.00 0.00 O ATOM 365 CB ARG A 28 -2.551 23.913 -25.814 1.00 0.00 C ATOM 366 CG ARG A 28 -2.231 22.547 -26.398 1.00 0.00 C ATOM 367 CD ARG A 28 -1.085 22.621 -27.394 1.00 0.00 C ATOM 368 NE ARG A 28 -1.521 23.125 -28.694 1.00 0.00 N ATOM 369 CZ ARG A 28 -2.302 22.442 -29.523 1.00 0.00 C ATOM 370 NH1 ARG A 28 -2.731 21.232 -29.189 1.00 0.00 N ATOM 371 NH2 ARG A 28 -2.657 22.969 -30.688 1.00 0.00 N ATOM 0 H ARG A 28 -3.166 23.357 -23.401 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.667 23.994 -24.785 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.604 23.942 -25.535 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.404 24.671 -26.583 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.972 21.858 -25.594 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.116 22.144 -26.890 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.302 23.268 -26.998 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.648 21.630 -27.517 1.00 0.00 H new ATOM 0 HE ARG A 28 -1.208 24.053 -28.981 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.461 20.824 -28.294 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.331 20.709 -29.827 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.330 23.900 -30.948 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.257 22.443 -31.324 1.00 0.00 H new ATOM 385 N ALA A 29 -1.007 26.533 -25.130 1.00 0.00 N ATOM 386 CA ALA A 29 -0.976 27.984 -24.995 1.00 0.00 C ATOM 387 C ALA A 29 -1.928 28.648 -25.984 1.00 0.00 C ATOM 388 O ALA A 29 -2.153 28.140 -27.082 1.00 0.00 O ATOM 389 CB ALA A 29 0.441 28.503 -25.195 1.00 0.00 C ATOM 0 H ALA A 29 -0.407 26.165 -25.868 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.305 28.237 -23.987 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.449 29.588 -25.091 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.099 28.062 -24.446 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.791 28.231 -26.191 1.00 0.00 H new ATOM 395 N GLY A 30 -2.488 29.787 -25.586 1.00 0.00 N ATOM 396 CA GLY A 30 -3.411 30.501 -26.449 1.00 0.00 C ATOM 397 C GLY A 30 -4.805 29.907 -26.424 1.00 0.00 C ATOM 398 O GLY A 30 -5.710 30.405 -27.093 1.00 0.00 O ATOM 0 H GLY A 30 -2.319 30.228 -24.682 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -3.459 31.545 -26.140 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -3.032 30.488 -27.471 1.00 0.00 H new ATOM 402 N GLN A 31 -4.978 28.839 -25.652 1.00 0.00 N ATOM 403 CA GLN A 31 -6.272 28.176 -25.545 1.00 0.00 C ATOM 404 C GLN A 31 -6.794 28.229 -24.113 1.00 0.00 C ATOM 405 O GLN A 31 -6.019 28.315 -23.160 1.00 0.00 O ATOM 406 CB GLN A 31 -6.164 26.722 -26.008 1.00 0.00 C ATOM 407 CG GLN A 31 -7.433 26.193 -26.655 1.00 0.00 C ATOM 408 CD GLN A 31 -8.396 25.595 -25.648 1.00 0.00 C ATOM 409 OE1 GLN A 31 -9.566 25.973 -25.590 1.00 0.00 O ATOM 410 NE2 GLN A 31 -7.907 24.654 -24.848 1.00 0.00 N ATOM 0 H GLN A 31 -4.239 28.415 -25.092 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.976 28.703 -26.189 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.341 26.636 -26.718 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -5.914 26.095 -25.152 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.929 27.003 -27.189 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -7.171 25.437 -27.395 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.931 24.371 -24.931 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -8.508 24.214 -24.151 1.00 0.00 H new ATOM 419 N THR A 32 -8.115 28.177 -23.967 1.00 0.00 N ATOM 420 CA THR A 32 -8.741 28.221 -22.652 1.00 0.00 C ATOM 421 C THR A 32 -8.843 26.826 -22.045 1.00 0.00 C ATOM 422 O THR A 32 -9.487 25.939 -22.607 1.00 0.00 O ATOM 423 CB THR A 32 -10.148 28.843 -22.720 1.00 0.00 C ATOM 424 OG1 THR A 32 -10.124 30.022 -23.532 1.00 0.00 O ATOM 425 CG2 THR A 32 -10.654 29.191 -21.328 1.00 0.00 C ATOM 0 H THR A 32 -8.772 28.104 -24.744 1.00 0.00 H new ATOM 0 HA THR A 32 -8.107 28.844 -22.021 1.00 0.00 H new ATOM 0 HB THR A 32 -10.823 28.111 -23.163 1.00 0.00 H new ATOM 0 HG1 THR A 32 -11.023 30.410 -23.571 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.649 29.629 -21.402 1.00 0.00 H new ATOM 0 HG22 THR A 32 -10.699 28.287 -20.721 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.976 29.907 -20.863 1.00 0.00 H new ATOM 433 N VAL A 33 -8.205 26.638 -20.894 1.00 0.00 N ATOM 434 CA VAL A 33 -8.226 25.350 -20.210 1.00 0.00 C ATOM 435 C VAL A 33 -8.907 25.462 -18.851 1.00 0.00 C ATOM 436 O VAL A 33 -8.748 26.457 -18.145 1.00 0.00 O ATOM 437 CB VAL A 33 -6.802 24.795 -20.015 1.00 0.00 C ATOM 438 CG1 VAL A 33 -6.071 24.719 -21.346 1.00 0.00 C ATOM 439 CG2 VAL A 33 -6.030 25.650 -19.021 1.00 0.00 C ATOM 0 H VAL A 33 -7.667 27.361 -20.416 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.791 24.664 -20.841 1.00 0.00 H new ATOM 0 HB VAL A 33 -6.876 23.785 -19.611 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.067 24.325 -21.188 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -6.616 24.062 -22.024 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -6.005 25.716 -21.782 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.026 25.244 -18.895 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.964 26.672 -19.394 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.546 25.647 -18.061 1.00 0.00 H new ATOM 449 N SER A 34 -9.666 24.432 -18.490 1.00 0.00 N ATOM 450 CA SER A 34 -10.375 24.415 -17.215 1.00 0.00 C ATOM 451 C SER A 34 -9.614 23.592 -16.181 1.00 0.00 C ATOM 452 O SER A 34 -9.352 22.406 -16.385 1.00 0.00 O ATOM 453 CB SER A 34 -11.784 23.848 -17.399 1.00 0.00 C ATOM 454 OG SER A 34 -12.094 23.686 -18.772 1.00 0.00 O ATOM 0 H SER A 34 -9.806 23.599 -19.062 1.00 0.00 H new ATOM 0 HA SER A 34 -10.448 25.441 -16.854 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.862 22.887 -16.890 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.511 24.515 -16.935 1.00 0.00 H new ATOM 0 HG SER A 34 -12.999 23.321 -18.862 1.00 0.00 H new ATOM 460 N VAL A 35 -9.261 24.229 -15.069 1.00 0.00 N ATOM 461 CA VAL A 35 -8.531 23.557 -14.002 1.00 0.00 C ATOM 462 C VAL A 35 -8.974 24.059 -12.632 1.00 0.00 C ATOM 463 O VAL A 35 -9.561 25.135 -12.513 1.00 0.00 O ATOM 464 CB VAL A 35 -7.011 23.763 -14.145 1.00 0.00 C ATOM 465 CG1 VAL A 35 -6.581 23.583 -15.593 1.00 0.00 C ATOM 466 CG2 VAL A 35 -6.609 25.137 -13.628 1.00 0.00 C ATOM 0 H VAL A 35 -9.469 25.210 -14.884 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.756 22.494 -14.086 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.502 23.010 -13.544 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.504 23.732 -15.674 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.834 22.576 -15.925 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.096 24.311 -16.219 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.532 25.266 -13.736 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.126 25.907 -14.201 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.881 25.224 -12.576 1.00 0.00 H new ATOM 476 N HIS A 36 -8.689 23.273 -11.599 1.00 0.00 N ATOM 477 CA HIS A 36 -9.057 23.638 -10.236 1.00 0.00 C ATOM 478 C HIS A 36 -7.842 24.139 -9.460 1.00 0.00 C ATOM 479 O HIS A 36 -6.780 23.516 -9.481 1.00 0.00 O ATOM 480 CB HIS A 36 -9.679 22.442 -9.515 1.00 0.00 C ATOM 481 CG HIS A 36 -11.163 22.345 -9.686 1.00 0.00 C ATOM 482 ND1 HIS A 36 -11.978 23.448 -9.828 1.00 0.00 N ATOM 483 CD2 HIS A 36 -11.980 21.267 -9.740 1.00 0.00 C ATOM 484 CE1 HIS A 36 -13.232 23.053 -9.960 1.00 0.00 C ATOM 485 NE2 HIS A 36 -13.260 21.733 -9.910 1.00 0.00 N ATOM 0 H HIS A 36 -8.204 22.379 -11.680 1.00 0.00 H new ATOM 0 HA HIS A 36 -9.790 24.443 -10.288 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -9.218 21.526 -9.885 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -9.448 22.509 -8.452 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -11.680 20.232 -9.664 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -14.088 23.699 -10.087 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -14.097 21.154 -9.985 1.00 0.00 H new ATOM 493 N TYR A 37 -8.005 25.267 -8.779 1.00 0.00 N ATOM 494 CA TYR A 37 -6.921 25.853 -8.000 1.00 0.00 C ATOM 495 C TYR A 37 -7.309 25.972 -6.529 1.00 0.00 C ATOM 496 O TYR A 37 -8.446 26.313 -6.200 1.00 0.00 O ATOM 497 CB TYR A 37 -6.553 27.231 -8.554 1.00 0.00 C ATOM 498 CG TYR A 37 -7.624 28.276 -8.341 1.00 0.00 C ATOM 499 CD1 TYR A 37 -7.748 28.935 -7.124 1.00 0.00 C ATOM 500 CD2 TYR A 37 -8.513 28.605 -9.358 1.00 0.00 C ATOM 501 CE1 TYR A 37 -8.726 29.889 -6.925 1.00 0.00 C ATOM 502 CE2 TYR A 37 -9.493 29.559 -9.168 1.00 0.00 C ATOM 503 CZ TYR A 37 -9.596 30.198 -7.950 1.00 0.00 C ATOM 504 OH TYR A 37 -10.571 31.150 -7.756 1.00 0.00 O ATOM 0 H TYR A 37 -8.878 25.794 -8.750 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.056 25.194 -8.077 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.630 27.568 -8.082 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -6.352 27.142 -9.622 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -7.068 28.697 -6.320 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -8.436 28.106 -10.313 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -8.809 30.391 -5.972 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -10.175 29.804 -9.969 1.00 0.00 H new ATOM 0 HH TYR A 37 -11.099 31.250 -8.576 1.00 0.00 H new ATOM 514 N THR A 38 -6.356 25.689 -5.647 1.00 0.00 N ATOM 515 CA THR A 38 -6.596 25.763 -4.212 1.00 0.00 C ATOM 516 C THR A 38 -5.456 26.484 -3.500 1.00 0.00 C ATOM 517 O THR A 38 -4.293 26.108 -3.633 1.00 0.00 O ATOM 518 CB THR A 38 -6.765 24.361 -3.597 1.00 0.00 C ATOM 519 OG1 THR A 38 -6.832 23.376 -4.635 1.00 0.00 O ATOM 520 CG2 THR A 38 -8.022 24.292 -2.743 1.00 0.00 C ATOM 0 H THR A 38 -5.410 25.406 -5.902 1.00 0.00 H new ATOM 0 HA THR A 38 -7.520 26.325 -4.075 1.00 0.00 H new ATOM 0 HB THR A 38 -5.902 24.161 -2.961 1.00 0.00 H new ATOM 0 HG1 THR A 38 -6.938 22.487 -4.236 1.00 0.00 H new ATOM 0 HG21 THR A 38 -8.120 23.292 -2.320 1.00 0.00 H new ATOM 0 HG22 THR A 38 -7.955 25.023 -1.937 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.893 24.512 -3.360 1.00 0.00 H new ATOM 528 N GLY A 39 -5.800 27.521 -2.743 1.00 0.00 N ATOM 529 CA GLY A 39 -4.793 28.278 -2.021 1.00 0.00 C ATOM 530 C GLY A 39 -4.628 27.805 -0.590 1.00 0.00 C ATOM 531 O GLY A 39 -5.610 27.646 0.135 1.00 0.00 O ATOM 0 H GLY A 39 -6.757 27.851 -2.616 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.838 28.195 -2.540 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.066 29.333 -2.023 1.00 0.00 H new ATOM 535 N TRP A 40 -3.385 27.577 -0.184 1.00 0.00 N ATOM 536 CA TRP A 40 -3.095 27.117 1.170 1.00 0.00 C ATOM 537 C TRP A 40 -1.960 27.927 1.788 1.00 0.00 C ATOM 538 O TRP A 40 -0.941 28.178 1.144 1.00 0.00 O ATOM 539 CB TRP A 40 -2.731 25.632 1.159 1.00 0.00 C ATOM 540 CG TRP A 40 -3.923 24.729 1.052 1.00 0.00 C ATOM 541 CD1 TRP A 40 -5.095 24.834 1.745 1.00 0.00 C ATOM 542 CD2 TRP A 40 -4.058 23.585 0.202 1.00 0.00 C ATOM 543 NE1 TRP A 40 -5.950 23.823 1.378 1.00 0.00 N ATOM 544 CE2 TRP A 40 -5.338 23.044 0.432 1.00 0.00 C ATOM 545 CE3 TRP A 40 -3.223 22.966 -0.732 1.00 0.00 C ATOM 546 CZ2 TRP A 40 -5.799 21.913 -0.237 1.00 0.00 C ATOM 547 CZ3 TRP A 40 -3.682 21.844 -1.395 1.00 0.00 C ATOM 548 CH2 TRP A 40 -4.961 21.327 -1.146 1.00 0.00 C ATOM 0 H TRP A 40 -2.561 27.703 -0.772 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.990 27.260 1.775 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -2.059 25.436 0.323 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -2.183 25.393 2.071 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.317 25.599 2.474 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -6.888 23.676 1.750 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -2.237 23.358 -0.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -6.783 21.512 -0.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -3.044 21.357 -2.118 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -5.291 20.449 -1.682 1.00 0.00 H new ATOM 559 N LEU A 41 -2.143 28.332 3.040 1.00 0.00 N ATOM 560 CA LEU A 41 -1.133 29.113 3.746 1.00 0.00 C ATOM 561 C LEU A 41 0.023 28.227 4.199 1.00 0.00 C ATOM 562 O LEU A 41 -0.055 27.000 4.126 1.00 0.00 O ATOM 563 CB LEU A 41 -1.756 29.816 4.954 1.00 0.00 C ATOM 564 CG LEU A 41 -2.122 31.287 4.760 1.00 0.00 C ATOM 565 CD1 LEU A 41 -2.766 31.848 6.018 1.00 0.00 C ATOM 566 CD2 LEU A 41 -0.891 32.098 4.381 1.00 0.00 C ATOM 0 H LEU A 41 -2.981 28.133 3.587 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.743 29.863 3.058 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.657 29.273 5.240 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.061 29.743 5.790 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.843 31.357 3.946 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.020 32.896 5.860 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.672 31.286 6.245 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.069 31.765 6.852 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.171 33.143 4.247 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.146 32.021 5.173 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.473 31.712 3.451 1.00 0.00 H new ATOM 578 N THR A 42 1.095 28.856 4.669 1.00 0.00 N ATOM 579 CA THR A 42 2.267 28.126 5.135 1.00 0.00 C ATOM 580 C THR A 42 1.889 27.101 6.198 1.00 0.00 C ATOM 581 O THR A 42 2.493 26.031 6.285 1.00 0.00 O ATOM 582 CB THR A 42 3.331 29.079 5.713 1.00 0.00 C ATOM 583 OG1 THR A 42 2.819 29.735 6.878 1.00 0.00 O ATOM 584 CG2 THR A 42 3.745 30.117 4.680 1.00 0.00 C ATOM 0 H THR A 42 1.176 29.871 4.737 1.00 0.00 H new ATOM 0 HA THR A 42 2.683 27.612 4.269 1.00 0.00 H new ATOM 0 HB THR A 42 4.207 28.490 5.984 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.501 30.338 7.241 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.497 30.779 5.110 1.00 0.00 H new ATOM 0 HG22 THR A 42 4.161 29.615 3.806 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.874 30.702 4.383 1.00 0.00 H new ATOM 592 N ASP A 43 0.887 27.433 7.004 1.00 0.00 N ATOM 593 CA ASP A 43 0.427 26.540 8.061 1.00 0.00 C ATOM 594 C ASP A 43 -0.622 25.567 7.532 1.00 0.00 C ATOM 595 O ASP A 43 -0.908 24.547 8.157 1.00 0.00 O ATOM 596 CB ASP A 43 -0.149 27.347 9.226 1.00 0.00 C ATOM 597 CG ASP A 43 0.839 28.358 9.774 1.00 0.00 C ATOM 598 OD1 ASP A 43 1.961 27.952 10.142 1.00 0.00 O ATOM 599 OD2 ASP A 43 0.490 29.556 9.834 1.00 0.00 O ATOM 0 H ASP A 43 0.377 28.315 6.946 1.00 0.00 H new ATOM 0 HA ASP A 43 1.283 25.966 8.416 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.049 27.865 8.895 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.448 26.666 10.023 1.00 0.00 H new ATOM 604 N GLY A 44 -1.194 25.892 6.377 1.00 0.00 N ATOM 605 CA GLY A 44 -2.206 25.038 5.784 1.00 0.00 C ATOM 606 C GLY A 44 -3.549 25.729 5.660 1.00 0.00 C ATOM 607 O GLY A 44 -4.446 25.238 4.976 1.00 0.00 O ATOM 0 H GLY A 44 -0.975 26.732 5.841 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.873 24.718 4.797 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -2.318 24.139 6.390 1.00 0.00 H new ATOM 611 N GLN A 45 -3.688 26.872 6.325 1.00 0.00 N ATOM 612 CA GLN A 45 -4.933 27.630 6.287 1.00 0.00 C ATOM 613 C GLN A 45 -5.342 27.935 4.850 1.00 0.00 C ATOM 614 O GLN A 45 -4.682 28.708 4.156 1.00 0.00 O ATOM 615 CB GLN A 45 -4.785 28.933 7.075 1.00 0.00 C ATOM 616 CG GLN A 45 -6.089 29.434 7.674 1.00 0.00 C ATOM 617 CD GLN A 45 -6.425 28.756 8.988 1.00 0.00 C ATOM 618 OE1 GLN A 45 -7.082 27.715 9.012 1.00 0.00 O ATOM 619 NE2 GLN A 45 -5.976 29.344 10.090 1.00 0.00 N ATOM 0 H GLN A 45 -2.955 27.293 6.896 1.00 0.00 H new ATOM 0 HA GLN A 45 -5.713 27.022 6.746 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -4.061 28.783 7.876 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -4.378 29.701 6.417 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -6.022 30.511 7.831 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -6.899 29.265 6.965 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -5.435 30.206 10.024 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -6.172 28.934 11.003 1.00 0.00 H new ATOM 628 N LYS A 46 -6.435 27.321 4.409 1.00 0.00 N ATOM 629 CA LYS A 46 -6.934 27.526 3.054 1.00 0.00 C ATOM 630 C LYS A 46 -7.528 28.923 2.899 1.00 0.00 C ATOM 631 O LYS A 46 -8.234 29.409 3.782 1.00 0.00 O ATOM 632 CB LYS A 46 -7.988 26.471 2.711 1.00 0.00 C ATOM 633 CG LYS A 46 -8.200 26.285 1.219 1.00 0.00 C ATOM 634 CD LYS A 46 -9.470 25.504 0.929 1.00 0.00 C ATOM 635 CE LYS A 46 -9.352 24.058 1.385 1.00 0.00 C ATOM 636 NZ LYS A 46 -10.685 23.444 1.637 1.00 0.00 N ATOM 0 H LYS A 46 -6.992 26.677 4.970 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.094 27.428 2.366 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.692 25.518 3.149 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.935 26.753 3.172 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.253 27.260 0.734 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.345 25.762 0.792 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.313 25.978 1.433 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.680 25.533 -0.140 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.824 23.480 0.626 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -8.753 24.012 2.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.561 22.459 1.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.179 23.980 2.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.247 23.464 0.762 1.00 0.00 H new ATOM 650 N PHE A 47 -7.238 29.562 1.770 1.00 0.00 N ATOM 651 CA PHE A 47 -7.745 30.902 1.499 1.00 0.00 C ATOM 652 C PHE A 47 -8.231 31.019 0.058 1.00 0.00 C ATOM 653 O PHE A 47 -8.348 32.119 -0.482 1.00 0.00 O ATOM 654 CB PHE A 47 -6.658 31.945 1.769 1.00 0.00 C ATOM 655 CG PHE A 47 -5.400 31.717 0.981 1.00 0.00 C ATOM 656 CD1 PHE A 47 -5.302 32.147 -0.333 1.00 0.00 C ATOM 657 CD2 PHE A 47 -4.315 31.073 1.554 1.00 0.00 C ATOM 658 CE1 PHE A 47 -4.145 31.937 -1.060 1.00 0.00 C ATOM 659 CE2 PHE A 47 -3.155 30.861 0.831 1.00 0.00 C ATOM 660 CZ PHE A 47 -3.070 31.295 -0.477 1.00 0.00 C ATOM 0 H PHE A 47 -6.655 29.174 1.029 1.00 0.00 H new ATOM 0 HA PHE A 47 -8.589 31.086 2.164 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -7.049 32.935 1.535 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.417 31.940 2.832 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -6.138 32.651 -0.794 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -4.376 30.733 2.577 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -4.082 32.275 -2.084 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.317 30.357 1.289 1.00 0.00 H new ATOM 0 HZ PHE A 47 -2.165 31.133 -1.043 1.00 0.00 H new ATOM 670 N ASP A 48 -8.511 29.876 -0.560 1.00 0.00 N ATOM 671 CA ASP A 48 -8.985 29.849 -1.939 1.00 0.00 C ATOM 672 C ASP A 48 -9.343 28.428 -2.362 1.00 0.00 C ATOM 673 O ASP A 48 -8.517 27.518 -2.279 1.00 0.00 O ATOM 674 CB ASP A 48 -7.922 30.422 -2.877 1.00 0.00 C ATOM 675 CG ASP A 48 -8.226 31.848 -3.293 1.00 0.00 C ATOM 676 OD1 ASP A 48 -9.416 32.167 -3.493 1.00 0.00 O ATOM 677 OD2 ASP A 48 -7.272 32.645 -3.421 1.00 0.00 O ATOM 0 H ASP A 48 -8.418 28.957 -0.128 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.883 30.464 -2.002 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -6.951 30.390 -2.384 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -7.849 29.795 -3.766 1.00 0.00 H new ATOM 682 N SER A 49 -10.578 28.244 -2.816 1.00 0.00 N ATOM 683 CA SER A 49 -11.047 26.932 -3.248 1.00 0.00 C ATOM 684 C SER A 49 -12.018 27.060 -4.417 1.00 0.00 C ATOM 685 O SER A 49 -13.089 27.653 -4.286 1.00 0.00 O ATOM 686 CB SER A 49 -11.722 26.200 -2.086 1.00 0.00 C ATOM 687 OG SER A 49 -13.036 26.687 -1.872 1.00 0.00 O ATOM 0 H SER A 49 -11.273 28.987 -2.894 1.00 0.00 H new ATOM 0 HA SER A 49 -10.183 26.355 -3.578 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.757 25.131 -2.296 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.131 26.328 -1.179 1.00 0.00 H new ATOM 0 HG SER A 49 -13.227 27.405 -2.511 1.00 0.00 H new ATOM 693 N SER A 50 -11.636 26.499 -5.560 1.00 0.00 N ATOM 694 CA SER A 50 -12.471 26.553 -6.754 1.00 0.00 C ATOM 695 C SER A 50 -13.716 25.688 -6.587 1.00 0.00 C ATOM 696 O SER A 50 -14.793 26.026 -7.079 1.00 0.00 O ATOM 697 CB SER A 50 -11.677 26.093 -7.978 1.00 0.00 C ATOM 698 OG SER A 50 -10.780 27.100 -8.413 1.00 0.00 O ATOM 0 H SER A 50 -10.754 26.002 -5.684 1.00 0.00 H new ATOM 0 HA SER A 50 -12.786 27.586 -6.901 1.00 0.00 H new ATOM 0 HB2 SER A 50 -11.121 25.187 -7.735 1.00 0.00 H new ATOM 0 HB3 SER A 50 -12.363 25.839 -8.786 1.00 0.00 H new ATOM 0 HG SER A 50 -11.219 27.974 -8.360 1.00 0.00 H new ATOM 704 N LYS A 51 -13.561 24.569 -5.887 1.00 0.00 N ATOM 705 CA LYS A 51 -14.671 23.653 -5.652 1.00 0.00 C ATOM 706 C LYS A 51 -15.836 24.372 -4.980 1.00 0.00 C ATOM 707 O LYS A 51 -16.987 23.948 -5.089 1.00 0.00 O ATOM 708 CB LYS A 51 -14.214 22.478 -4.784 1.00 0.00 C ATOM 709 CG LYS A 51 -13.173 21.598 -5.452 1.00 0.00 C ATOM 710 CD LYS A 51 -13.770 20.798 -6.597 1.00 0.00 C ATOM 711 CE LYS A 51 -14.410 19.509 -6.103 1.00 0.00 C ATOM 712 NZ LYS A 51 -15.803 19.729 -5.626 1.00 0.00 N ATOM 0 H LYS A 51 -12.677 24.275 -5.472 1.00 0.00 H new ATOM 0 HA LYS A 51 -15.008 23.275 -6.617 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -13.806 22.864 -3.850 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -15.081 21.869 -4.526 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -12.358 22.217 -5.826 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -12.744 20.917 -4.716 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -14.517 21.401 -7.113 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.992 20.564 -7.323 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -14.414 18.774 -6.908 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -13.810 19.093 -5.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -16.414 18.962 -5.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -15.816 19.740 -4.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -16.154 20.639 -5.986 1.00 0.00 H new ATOM 726 N ASP A 52 -15.531 25.463 -4.286 1.00 0.00 N ATOM 727 CA ASP A 52 -16.554 26.243 -3.598 1.00 0.00 C ATOM 728 C ASP A 52 -17.655 26.667 -4.564 1.00 0.00 C ATOM 729 O ASP A 52 -18.842 26.530 -4.267 1.00 0.00 O ATOM 730 CB ASP A 52 -15.930 27.477 -2.943 1.00 0.00 C ATOM 731 CG ASP A 52 -16.973 28.468 -2.465 1.00 0.00 C ATOM 732 OD1 ASP A 52 -17.887 28.054 -1.722 1.00 0.00 O ATOM 733 OD2 ASP A 52 -16.875 29.657 -2.834 1.00 0.00 O ATOM 0 H ASP A 52 -14.584 25.828 -4.185 1.00 0.00 H new ATOM 0 HA ASP A 52 -16.996 25.615 -2.825 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -15.315 27.165 -2.099 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.267 27.967 -3.656 1.00 0.00 H new ATOM 738 N ARG A 53 -17.254 27.184 -5.721 1.00 0.00 N ATOM 739 CA ARG A 53 -18.207 27.630 -6.730 1.00 0.00 C ATOM 740 C ARG A 53 -18.786 26.443 -7.493 1.00 0.00 C ATOM 741 O ARG A 53 -19.775 26.578 -8.212 1.00 0.00 O ATOM 742 CB ARG A 53 -17.533 28.598 -7.705 1.00 0.00 C ATOM 743 CG ARG A 53 -18.484 29.626 -8.297 1.00 0.00 C ATOM 744 CD ARG A 53 -18.840 30.703 -7.284 1.00 0.00 C ATOM 745 NE ARG A 53 -20.067 31.409 -7.644 1.00 0.00 N ATOM 746 CZ ARG A 53 -21.282 30.897 -7.484 1.00 0.00 C ATOM 747 NH1 ARG A 53 -21.432 29.683 -6.973 1.00 0.00 N ATOM 748 NH2 ARG A 53 -22.351 31.601 -7.835 1.00 0.00 N ATOM 0 H ARG A 53 -16.276 27.304 -5.983 1.00 0.00 H new ATOM 0 HA ARG A 53 -19.022 28.145 -6.222 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -16.726 29.117 -7.189 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -17.078 28.027 -8.515 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -18.026 30.086 -9.173 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -19.393 29.129 -8.637 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -18.958 30.250 -6.300 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -18.019 31.417 -7.210 1.00 0.00 H new ATOM 0 HE ARG A 53 -19.986 32.346 -8.040 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -20.613 29.139 -6.701 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -22.367 29.293 -6.851 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -22.240 32.536 -8.228 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -23.284 31.207 -7.712 1.00 0.00 H new ATOM 762 N ASN A 54 -18.163 25.281 -7.332 1.00 0.00 N ATOM 763 CA ASN A 54 -18.616 24.070 -8.006 1.00 0.00 C ATOM 764 C ASN A 54 -18.486 24.210 -9.520 1.00 0.00 C ATOM 765 O ASN A 54 -19.430 23.937 -10.262 1.00 0.00 O ATOM 766 CB ASN A 54 -20.068 23.766 -7.633 1.00 0.00 C ATOM 767 CG ASN A 54 -20.359 24.040 -6.170 1.00 0.00 C ATOM 768 OD1 ASN A 54 -21.045 25.005 -5.832 1.00 0.00 O ATOM 769 ND2 ASN A 54 -19.836 23.190 -5.294 1.00 0.00 N ATOM 0 H ASN A 54 -17.342 25.152 -6.740 1.00 0.00 H new ATOM 0 HA ASN A 54 -17.984 23.244 -7.679 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -20.733 24.368 -8.252 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -20.286 22.721 -7.854 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -19.997 23.323 -4.296 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -19.274 22.404 -5.620 1.00 0.00 H new ATOM 776 N ASP A 55 -17.312 24.636 -9.971 1.00 0.00 N ATOM 777 CA ASP A 55 -17.057 24.811 -11.396 1.00 0.00 C ATOM 778 C ASP A 55 -15.568 25.003 -11.663 1.00 0.00 C ATOM 779 O ASP A 55 -14.859 25.672 -10.911 1.00 0.00 O ATOM 780 CB ASP A 55 -17.843 26.008 -11.933 1.00 0.00 C ATOM 781 CG ASP A 55 -17.281 26.530 -13.241 1.00 0.00 C ATOM 782 OD1 ASP A 55 -16.322 27.330 -13.197 1.00 0.00 O ATOM 783 OD2 ASP A 55 -17.799 26.139 -14.307 1.00 0.00 O ATOM 0 H ASP A 55 -16.521 24.867 -9.370 1.00 0.00 H new ATOM 0 HA ASP A 55 -17.386 23.909 -11.912 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -18.884 25.720 -12.078 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -17.833 26.807 -11.192 1.00 0.00 H new ATOM 788 N PRO A 56 -15.080 24.402 -12.759 1.00 0.00 N ATOM 789 CA PRO A 56 -13.670 24.492 -13.149 1.00 0.00 C ATOM 790 C PRO A 56 -13.289 25.890 -13.626 1.00 0.00 C ATOM 791 O PRO A 56 -14.084 26.576 -14.269 1.00 0.00 O ATOM 792 CB PRO A 56 -13.555 23.486 -14.297 1.00 0.00 C ATOM 793 CG PRO A 56 -14.931 23.395 -14.861 1.00 0.00 C ATOM 794 CD PRO A 56 -15.868 23.589 -13.700 1.00 0.00 C ATOM 0 HA PRO A 56 -13.002 24.284 -12.313 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -12.841 23.823 -15.048 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -13.209 22.516 -13.940 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -15.091 24.157 -15.624 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -15.094 22.428 -15.337 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -16.783 24.098 -14.003 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -16.164 22.637 -13.259 1.00 0.00 H new ATOM 802 N PHE A 57 -12.068 26.306 -13.308 1.00 0.00 N ATOM 803 CA PHE A 57 -11.581 27.622 -13.705 1.00 0.00 C ATOM 804 C PHE A 57 -11.053 27.599 -15.136 1.00 0.00 C ATOM 805 O PHE A 57 -9.949 27.121 -15.394 1.00 0.00 O ATOM 806 CB PHE A 57 -10.481 28.091 -12.751 1.00 0.00 C ATOM 807 CG PHE A 57 -9.947 29.456 -13.076 1.00 0.00 C ATOM 808 CD1 PHE A 57 -10.809 30.502 -13.362 1.00 0.00 C ATOM 809 CD2 PHE A 57 -8.582 29.694 -13.097 1.00 0.00 C ATOM 810 CE1 PHE A 57 -10.321 31.760 -13.662 1.00 0.00 C ATOM 811 CE2 PHE A 57 -8.088 30.950 -13.395 1.00 0.00 C ATOM 812 CZ PHE A 57 -8.958 31.984 -13.680 1.00 0.00 C ATOM 0 H PHE A 57 -11.397 25.751 -12.776 1.00 0.00 H new ATOM 0 HA PHE A 57 -12.417 28.320 -13.657 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -10.871 28.095 -11.733 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -9.661 27.374 -12.775 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -11.876 30.333 -13.350 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -7.896 28.889 -12.878 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -11.004 32.567 -13.882 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -7.022 31.123 -13.405 1.00 0.00 H new ATOM 0 HZ PHE A 57 -8.574 32.965 -13.916 1.00 0.00 H new ATOM 822 N ALA A 58 -11.851 28.118 -16.063 1.00 0.00 N ATOM 823 CA ALA A 58 -11.464 28.159 -17.468 1.00 0.00 C ATOM 824 C ALA A 58 -10.742 29.460 -17.802 1.00 0.00 C ATOM 825 O ALA A 58 -11.354 30.528 -17.843 1.00 0.00 O ATOM 826 CB ALA A 58 -12.687 27.988 -18.357 1.00 0.00 C ATOM 0 H ALA A 58 -12.769 28.516 -15.867 1.00 0.00 H new ATOM 0 HA ALA A 58 -10.775 27.335 -17.654 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.384 28.021 -19.403 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -13.159 27.029 -18.146 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -13.396 28.792 -18.160 1.00 0.00 H new ATOM 832 N PHE A 59 -9.438 29.364 -18.038 1.00 0.00 N ATOM 833 CA PHE A 59 -8.633 30.534 -18.367 1.00 0.00 C ATOM 834 C PHE A 59 -7.682 30.233 -19.521 1.00 0.00 C ATOM 835 O PHE A 59 -7.273 29.089 -19.722 1.00 0.00 O ATOM 836 CB PHE A 59 -7.838 30.992 -17.142 1.00 0.00 C ATOM 837 CG PHE A 59 -6.682 30.093 -16.807 1.00 0.00 C ATOM 838 CD1 PHE A 59 -6.870 28.965 -16.025 1.00 0.00 C ATOM 839 CD2 PHE A 59 -5.409 30.376 -17.273 1.00 0.00 C ATOM 840 CE1 PHE A 59 -5.809 28.135 -15.714 1.00 0.00 C ATOM 841 CE2 PHE A 59 -4.344 29.550 -16.966 1.00 0.00 C ATOM 842 CZ PHE A 59 -4.544 28.429 -16.185 1.00 0.00 C ATOM 0 H PHE A 59 -8.916 28.488 -18.008 1.00 0.00 H new ATOM 0 HA PHE A 59 -9.307 31.334 -18.675 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.464 32.001 -17.318 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -8.507 31.045 -16.283 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.857 28.731 -15.654 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -5.246 31.252 -17.883 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.969 27.258 -15.104 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.356 29.781 -17.337 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.713 27.783 -15.943 1.00 0.00 H new ATOM 852 N VAL A 60 -7.333 31.269 -20.279 1.00 0.00 N ATOM 853 CA VAL A 60 -6.430 31.117 -21.413 1.00 0.00 C ATOM 854 C VAL A 60 -4.979 31.037 -20.953 1.00 0.00 C ATOM 855 O VAL A 60 -4.467 31.957 -20.315 1.00 0.00 O ATOM 856 CB VAL A 60 -6.578 32.283 -22.409 1.00 0.00 C ATOM 857 CG1 VAL A 60 -5.682 32.069 -23.619 1.00 0.00 C ATOM 858 CG2 VAL A 60 -8.031 32.440 -22.832 1.00 0.00 C ATOM 0 H VAL A 60 -7.663 32.222 -20.127 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.702 30.187 -21.912 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.266 33.203 -21.914 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.800 32.903 -24.311 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.643 32.010 -23.296 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.960 31.141 -24.118 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -8.118 33.268 -23.536 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.372 31.521 -23.309 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.645 32.643 -21.955 1.00 0.00 H new ATOM 868 N LEU A 61 -4.320 29.931 -21.282 1.00 0.00 N ATOM 869 CA LEU A 61 -2.926 29.730 -20.903 1.00 0.00 C ATOM 870 C LEU A 61 -2.002 30.602 -21.746 1.00 0.00 C ATOM 871 O LEU A 61 -2.048 30.566 -22.975 1.00 0.00 O ATOM 872 CB LEU A 61 -2.541 28.258 -21.061 1.00 0.00 C ATOM 873 CG LEU A 61 -1.044 27.962 -21.156 1.00 0.00 C ATOM 874 CD1 LEU A 61 -0.289 28.665 -20.039 1.00 0.00 C ATOM 875 CD2 LEU A 61 -0.793 26.461 -21.109 1.00 0.00 C ATOM 0 H LEU A 61 -4.729 29.160 -21.810 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.814 30.018 -19.858 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.947 27.704 -20.215 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.025 27.871 -21.958 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.678 28.342 -22.110 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.775 28.443 -20.123 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.442 29.741 -20.118 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.658 28.316 -19.075 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.278 26.269 -21.178 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.175 26.057 -20.171 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.302 25.981 -21.944 1.00 0.00 H new ATOM 925 N VAL A 66 -2.922 35.442 -15.016 1.00 0.00 N ATOM 926 CA VAL A 66 -2.372 34.550 -14.002 1.00 0.00 C ATOM 927 C VAL A 66 -0.966 34.977 -13.598 1.00 0.00 C ATOM 928 O VAL A 66 -0.433 35.960 -14.113 1.00 0.00 O ATOM 929 CB VAL A 66 -2.331 33.092 -14.499 1.00 0.00 C ATOM 930 CG1 VAL A 66 -3.692 32.670 -15.030 1.00 0.00 C ATOM 931 CG2 VAL A 66 -1.258 32.924 -15.564 1.00 0.00 C ATOM 0 HA VAL A 66 -3.030 34.612 -13.136 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.081 32.446 -13.658 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.643 31.638 -15.376 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.434 32.752 -14.236 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.976 33.318 -15.859 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.242 31.889 -15.904 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.476 33.580 -16.407 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.286 33.183 -15.145 1.00 0.00 H new ATOM 941 N ILE A 67 -0.370 34.232 -12.673 1.00 0.00 N ATOM 942 CA ILE A 67 0.976 34.534 -12.200 1.00 0.00 C ATOM 943 C ILE A 67 2.011 33.650 -12.888 1.00 0.00 C ATOM 944 O ILE A 67 1.669 32.645 -13.512 1.00 0.00 O ATOM 945 CB ILE A 67 1.092 34.349 -10.676 1.00 0.00 C ATOM 946 CG1 ILE A 67 1.151 32.862 -10.323 1.00 0.00 C ATOM 947 CG2 ILE A 67 -0.077 35.021 -9.971 1.00 0.00 C ATOM 948 CD1 ILE A 67 1.181 32.594 -8.834 1.00 0.00 C ATOM 0 H ILE A 67 -0.797 33.415 -12.236 1.00 0.00 H new ATOM 0 HA ILE A 67 1.171 35.578 -12.447 1.00 0.00 H new ATOM 0 HB ILE A 67 2.015 34.820 -10.337 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.287 32.359 -10.757 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.038 32.423 -10.781 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.019 34.882 -8.894 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.076 36.087 -10.201 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.012 34.577 -10.313 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.223 31.519 -8.659 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.060 33.067 -8.397 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.282 33.002 -8.373 1.00 0.00 H new ATOM 960 N LYS A 68 3.278 34.030 -12.769 1.00 0.00 N ATOM 961 CA LYS A 68 4.365 33.271 -13.376 1.00 0.00 C ATOM 962 C LYS A 68 4.242 31.787 -13.048 1.00 0.00 C ATOM 963 O LYS A 68 4.202 30.945 -13.944 1.00 0.00 O ATOM 964 CB LYS A 68 5.717 33.801 -12.892 1.00 0.00 C ATOM 965 CG LYS A 68 6.208 35.013 -13.664 1.00 0.00 C ATOM 966 CD LYS A 68 7.082 35.908 -12.801 1.00 0.00 C ATOM 967 CE LYS A 68 6.246 36.872 -11.974 1.00 0.00 C ATOM 968 NZ LYS A 68 5.708 37.989 -12.799 1.00 0.00 N ATOM 0 H LYS A 68 3.578 34.860 -12.257 1.00 0.00 H new ATOM 0 HA LYS A 68 4.300 33.392 -14.457 1.00 0.00 H new ATOM 0 HB2 LYS A 68 5.639 34.061 -11.836 1.00 0.00 H new ATOM 0 HB3 LYS A 68 6.459 33.006 -12.971 1.00 0.00 H new ATOM 0 HG2 LYS A 68 6.772 34.685 -14.537 1.00 0.00 H new ATOM 0 HG3 LYS A 68 5.354 35.582 -14.031 1.00 0.00 H new ATOM 0 HD2 LYS A 68 7.692 35.294 -12.139 1.00 0.00 H new ATOM 0 HD3 LYS A 68 7.767 36.471 -13.435 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.420 36.332 -11.512 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.854 37.278 -11.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.305 38.718 -12.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.476 38.403 -13.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.967 37.627 -13.433 1.00 0.00 H new ATOM 982 N GLY A 69 4.181 31.473 -11.757 1.00 0.00 N ATOM 983 CA GLY A 69 4.061 30.090 -11.335 1.00 0.00 C ATOM 984 C GLY A 69 2.889 29.384 -11.987 1.00 0.00 C ATOM 985 O GLY A 69 2.911 28.166 -12.166 1.00 0.00 O ATOM 0 H GLY A 69 4.213 32.152 -10.996 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.981 29.559 -11.577 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.947 30.053 -10.252 1.00 0.00 H new ATOM 989 N TRP A 70 1.863 30.149 -12.340 1.00 0.00 N ATOM 990 CA TRP A 70 0.675 29.588 -12.974 1.00 0.00 C ATOM 991 C TRP A 70 0.973 29.162 -14.408 1.00 0.00 C ATOM 992 O TRP A 70 0.806 27.995 -14.765 1.00 0.00 O ATOM 993 CB TRP A 70 -0.466 30.607 -12.959 1.00 0.00 C ATOM 994 CG TRP A 70 -1.667 30.143 -12.192 1.00 0.00 C ATOM 995 CD1 TRP A 70 -2.884 29.797 -12.705 1.00 0.00 C ATOM 996 CD2 TRP A 70 -1.765 29.976 -10.773 1.00 0.00 C ATOM 997 NE1 TRP A 70 -3.734 29.426 -11.691 1.00 0.00 N ATOM 998 CE2 TRP A 70 -3.071 29.525 -10.496 1.00 0.00 C ATOM 999 CE3 TRP A 70 -0.877 30.161 -9.710 1.00 0.00 C ATOM 1000 CZ2 TRP A 70 -3.507 29.260 -9.201 1.00 0.00 C ATOM 1001 CZ3 TRP A 70 -1.312 29.897 -8.425 1.00 0.00 C ATOM 1002 CH2 TRP A 70 -2.617 29.449 -8.180 1.00 0.00 C ATOM 0 H TRP A 70 1.829 31.159 -12.198 1.00 0.00 H new ATOM 0 HA TRP A 70 0.373 28.707 -12.408 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -0.105 31.540 -12.525 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -0.761 30.826 -13.985 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.141 29.813 -13.754 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -4.702 29.126 -11.809 1.00 0.00 H new ATOM 0 HE3 TRP A 70 0.131 30.504 -9.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -4.513 28.917 -9.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -0.635 30.038 -7.596 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -2.926 29.249 -7.165 1.00 0.00 H new ATOM 1013 N ASP A 71 1.414 30.113 -15.224 1.00 0.00 N ATOM 1014 CA ASP A 71 1.736 29.834 -16.618 1.00 0.00 C ATOM 1015 C ASP A 71 2.724 28.677 -16.727 1.00 0.00 C ATOM 1016 O ASP A 71 2.537 27.763 -17.530 1.00 0.00 O ATOM 1017 CB ASP A 71 2.316 31.081 -17.288 1.00 0.00 C ATOM 1018 CG ASP A 71 1.266 32.146 -17.539 1.00 0.00 C ATOM 1019 OD1 ASP A 71 0.232 31.823 -18.159 1.00 0.00 O ATOM 1020 OD2 ASP A 71 1.480 33.301 -17.115 1.00 0.00 O ATOM 0 H ASP A 71 1.557 31.083 -14.944 1.00 0.00 H new ATOM 0 HA ASP A 71 0.815 29.551 -17.128 1.00 0.00 H new ATOM 0 HB2 ASP A 71 3.105 31.494 -16.659 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.777 30.800 -18.235 1.00 0.00 H new ATOM 1025 N GLU A 72 3.775 28.724 -15.914 1.00 0.00 N ATOM 1026 CA GLU A 72 4.792 27.679 -15.922 1.00 0.00 C ATOM 1027 C GLU A 72 4.220 26.358 -15.416 1.00 0.00 C ATOM 1028 O GLU A 72 4.545 25.290 -15.933 1.00 0.00 O ATOM 1029 CB GLU A 72 5.986 28.094 -15.059 1.00 0.00 C ATOM 1030 CG GLU A 72 7.316 28.032 -15.791 1.00 0.00 C ATOM 1031 CD GLU A 72 8.405 28.823 -15.091 1.00 0.00 C ATOM 1032 OE1 GLU A 72 8.422 30.063 -15.233 1.00 0.00 O ATOM 1033 OE2 GLU A 72 9.239 28.200 -14.402 1.00 0.00 O ATOM 0 H GLU A 72 3.944 29.473 -15.243 1.00 0.00 H new ATOM 0 HA GLU A 72 5.126 27.540 -16.950 1.00 0.00 H new ATOM 0 HB2 GLU A 72 5.827 29.110 -14.697 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.033 27.447 -14.183 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.629 26.992 -15.881 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.187 28.415 -16.803 1.00 0.00 H new ATOM 1040 N GLY A 73 3.365 26.440 -14.401 1.00 0.00 N ATOM 1041 CA GLY A 73 2.761 25.245 -13.841 1.00 0.00 C ATOM 1042 C GLY A 73 1.882 24.518 -14.839 1.00 0.00 C ATOM 1043 O GLY A 73 2.078 23.331 -15.101 1.00 0.00 O ATOM 0 H GLY A 73 3.080 27.313 -13.957 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.546 24.573 -13.495 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.167 25.517 -12.968 1.00 0.00 H new ATOM 1047 N VAL A 74 0.908 25.230 -15.397 1.00 0.00 N ATOM 1048 CA VAL A 74 -0.005 24.645 -16.372 1.00 0.00 C ATOM 1049 C VAL A 74 0.723 24.290 -17.663 1.00 0.00 C ATOM 1050 O VAL A 74 0.330 23.365 -18.374 1.00 0.00 O ATOM 1051 CB VAL A 74 -1.167 25.603 -16.697 1.00 0.00 C ATOM 1052 CG1 VAL A 74 -2.121 25.705 -15.517 1.00 0.00 C ATOM 1053 CG2 VAL A 74 -0.635 26.974 -17.083 1.00 0.00 C ATOM 0 H VAL A 74 0.731 26.213 -15.190 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.407 23.736 -15.924 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.719 25.201 -17.546 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.935 26.386 -15.765 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.528 24.719 -15.292 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.584 26.083 -14.647 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.470 27.638 -17.309 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.057 27.386 -16.256 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.004 26.882 -17.961 1.00 0.00 H new ATOM 1063 N GLN A 75 1.786 25.031 -17.960 1.00 0.00 N ATOM 1064 CA GLN A 75 2.569 24.794 -19.166 1.00 0.00 C ATOM 1065 C GLN A 75 3.083 23.359 -19.209 1.00 0.00 C ATOM 1066 O GLN A 75 3.410 22.837 -20.274 1.00 0.00 O ATOM 1067 CB GLN A 75 3.744 25.771 -19.237 1.00 0.00 C ATOM 1068 CG GLN A 75 3.485 26.970 -20.135 1.00 0.00 C ATOM 1069 CD GLN A 75 4.617 27.978 -20.104 1.00 0.00 C ATOM 1070 OE1 GLN A 75 4.403 29.160 -19.834 1.00 0.00 O ATOM 1071 NE2 GLN A 75 5.830 27.514 -20.379 1.00 0.00 N ATOM 0 H GLN A 75 2.124 25.800 -17.382 1.00 0.00 H new ATOM 0 HA GLN A 75 1.920 24.954 -20.027 1.00 0.00 H new ATOM 0 HB2 GLN A 75 3.974 26.124 -18.232 1.00 0.00 H new ATOM 0 HB3 GLN A 75 4.625 25.241 -19.598 1.00 0.00 H new ATOM 0 HG2 GLN A 75 3.337 26.627 -21.159 1.00 0.00 H new ATOM 0 HG3 GLN A 75 2.561 27.458 -19.826 1.00 0.00 H new ATOM 0 HE21 GLN A 75 5.961 26.526 -20.597 1.00 0.00 H new ATOM 0 HE22 GLN A 75 6.631 28.145 -20.372 1.00 0.00 H new ATOM 1080 N GLY A 76 3.151 22.725 -18.042 1.00 0.00 N ATOM 1081 CA GLY A 76 3.626 21.356 -17.968 1.00 0.00 C ATOM 1082 C GLY A 76 2.538 20.386 -17.553 1.00 0.00 C ATOM 1083 O GLY A 76 2.501 19.247 -18.019 1.00 0.00 O ATOM 0 H GLY A 76 2.886 23.135 -17.147 1.00 0.00 H new ATOM 0 HA2 GLY A 76 4.022 21.059 -18.939 1.00 0.00 H new ATOM 0 HA3 GLY A 76 4.450 21.299 -17.257 1.00 0.00 H new ATOM 1087 N MET A 77 1.649 20.837 -16.673 1.00 0.00 N ATOM 1088 CA MET A 77 0.555 20.000 -16.195 1.00 0.00 C ATOM 1089 C MET A 77 -0.216 19.394 -17.364 1.00 0.00 C ATOM 1090 O MET A 77 -0.325 20.000 -18.430 1.00 0.00 O ATOM 1091 CB MET A 77 -0.391 20.815 -15.312 1.00 0.00 C ATOM 1092 CG MET A 77 0.133 21.038 -13.903 1.00 0.00 C ATOM 1093 SD MET A 77 -0.670 19.977 -12.687 1.00 0.00 S ATOM 1094 CE MET A 77 0.120 18.407 -13.034 1.00 0.00 C ATOM 0 H MET A 77 1.665 21.777 -16.277 1.00 0.00 H new ATOM 0 HA MET A 77 0.982 19.189 -15.605 1.00 0.00 H new ATOM 0 HB2 MET A 77 -0.570 21.782 -15.782 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.353 20.305 -15.257 1.00 0.00 H new ATOM 0 HG2 MET A 77 1.207 20.855 -13.886 1.00 0.00 H new ATOM 0 HG3 MET A 77 -0.017 22.081 -13.625 1.00 0.00 H new ATOM 0 HE1 MET A 77 -0.136 17.690 -12.254 1.00 0.00 H new ATOM 0 HE2 MET A 77 -0.224 18.032 -13.998 1.00 0.00 H new ATOM 0 HE3 MET A 77 1.201 18.542 -13.062 1.00 0.00 H new ATOM 1104 N LYS A 78 -0.750 18.195 -17.156 1.00 0.00 N ATOM 1105 CA LYS A 78 -1.513 17.507 -18.191 1.00 0.00 C ATOM 1106 C LYS A 78 -2.951 17.271 -17.742 1.00 0.00 C ATOM 1107 O LYS A 78 -3.239 17.230 -16.545 1.00 0.00 O ATOM 1108 CB LYS A 78 -0.850 16.172 -18.540 1.00 0.00 C ATOM 1109 CG LYS A 78 0.542 16.320 -19.129 1.00 0.00 C ATOM 1110 CD LYS A 78 0.850 15.207 -20.116 1.00 0.00 C ATOM 1111 CE LYS A 78 2.348 14.984 -20.256 1.00 0.00 C ATOM 1112 NZ LYS A 78 2.658 13.861 -21.183 1.00 0.00 N ATOM 0 H LYS A 78 -0.668 17.679 -16.280 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.528 18.141 -19.078 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -0.792 15.559 -17.641 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.481 15.637 -19.250 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.626 17.285 -19.629 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.280 16.311 -18.327 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.373 14.284 -19.786 1.00 0.00 H new ATOM 0 HD3 LYS A 78 0.426 15.454 -21.089 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.818 15.897 -20.622 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.777 14.775 -19.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 3.689 13.741 -21.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 2.231 12.984 -20.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.271 14.072 -22.125 1.00 0.00 H new ATOM 1126 N VAL A 79 -3.850 17.115 -18.708 1.00 0.00 N ATOM 1127 CA VAL A 79 -5.258 16.880 -18.411 1.00 0.00 C ATOM 1128 C VAL A 79 -5.428 15.722 -17.434 1.00 0.00 C ATOM 1129 O VAL A 79 -4.948 14.615 -17.678 1.00 0.00 O ATOM 1130 CB VAL A 79 -6.060 16.579 -19.691 1.00 0.00 C ATOM 1131 CG1 VAL A 79 -7.517 16.301 -19.357 1.00 0.00 C ATOM 1132 CG2 VAL A 79 -5.941 17.733 -20.676 1.00 0.00 C ATOM 0 H VAL A 79 -3.629 17.147 -19.703 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.642 17.794 -17.958 1.00 0.00 H new ATOM 0 HB VAL A 79 -5.644 15.686 -20.158 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.067 16.091 -20.274 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.580 15.441 -18.691 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -7.950 17.172 -18.866 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.513 17.504 -21.575 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.331 18.643 -20.219 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.894 17.879 -20.940 1.00 0.00 H new ATOM 1142 N GLY A 80 -6.117 15.983 -16.327 1.00 0.00 N ATOM 1143 CA GLY A 80 -6.338 14.953 -15.330 1.00 0.00 C ATOM 1144 C GLY A 80 -5.178 14.821 -14.364 1.00 0.00 C ATOM 1145 O GLY A 80 -5.202 13.983 -13.464 1.00 0.00 O ATOM 0 H GLY A 80 -6.526 16.890 -16.103 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -7.247 15.181 -14.773 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.501 13.998 -15.829 1.00 0.00 H new ATOM 1149 N GLY A 81 -4.157 15.652 -14.551 1.00 0.00 N ATOM 1150 CA GLY A 81 -2.995 15.608 -13.683 1.00 0.00 C ATOM 1151 C GLY A 81 -3.057 16.644 -12.578 1.00 0.00 C ATOM 1152 O GLY A 81 -3.493 17.774 -12.800 1.00 0.00 O ATOM 0 H GLY A 81 -4.114 16.355 -15.289 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.913 14.615 -13.241 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.095 15.768 -14.277 1.00 0.00 H new ATOM 1156 N VAL A 82 -2.622 16.259 -11.382 1.00 0.00 N ATOM 1157 CA VAL A 82 -2.630 17.163 -10.238 1.00 0.00 C ATOM 1158 C VAL A 82 -1.222 17.368 -9.690 1.00 0.00 C ATOM 1159 O VAL A 82 -0.472 16.410 -9.503 1.00 0.00 O ATOM 1160 CB VAL A 82 -3.536 16.633 -9.111 1.00 0.00 C ATOM 1161 CG1 VAL A 82 -3.602 17.631 -7.965 1.00 0.00 C ATOM 1162 CG2 VAL A 82 -4.928 16.330 -9.645 1.00 0.00 C ATOM 0 H VAL A 82 -2.260 15.327 -11.180 1.00 0.00 H new ATOM 0 HA VAL A 82 -3.022 18.117 -10.591 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.108 15.706 -8.730 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.247 17.239 -7.178 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -2.601 17.794 -7.566 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -4.006 18.576 -8.328 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.555 15.956 -8.835 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.367 17.240 -10.054 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.861 15.576 -10.429 1.00 0.00 H new ATOM 1172 N ARG A 83 -0.871 18.624 -9.433 1.00 0.00 N ATOM 1173 CA ARG A 83 0.448 18.955 -8.906 1.00 0.00 C ATOM 1174 C ARG A 83 0.373 20.161 -7.974 1.00 0.00 C ATOM 1175 O ARG A 83 -0.355 21.118 -8.238 1.00 0.00 O ATOM 1176 CB ARG A 83 1.421 19.242 -10.051 1.00 0.00 C ATOM 1177 CG ARG A 83 2.863 19.405 -9.599 1.00 0.00 C ATOM 1178 CD ARG A 83 3.786 19.688 -10.774 1.00 0.00 C ATOM 1179 NE ARG A 83 3.613 18.719 -11.852 1.00 0.00 N ATOM 1180 CZ ARG A 83 4.200 18.828 -13.039 1.00 0.00 C ATOM 1181 NH1 ARG A 83 4.994 19.857 -13.298 1.00 0.00 N ATOM 1182 NH2 ARG A 83 3.993 17.905 -13.970 1.00 0.00 N ATOM 0 H ARG A 83 -1.481 19.428 -9.581 1.00 0.00 H new ATOM 0 HA ARG A 83 0.810 18.099 -8.337 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.366 18.429 -10.775 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.106 20.150 -10.566 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.930 20.220 -8.878 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.190 18.499 -9.088 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.592 20.691 -11.154 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.821 19.671 -10.434 1.00 0.00 H new ATOM 0 HE ARG A 83 3.009 17.915 -11.685 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.156 20.568 -12.585 1.00 0.00 H new ATOM 0 HH12 ARG A 83 5.443 19.938 -14.210 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.383 17.111 -13.775 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.444 17.989 -14.881 1.00 0.00 H new ATOM 1196 N ARG A 84 1.130 20.106 -6.883 1.00 0.00 N ATOM 1197 CA ARG A 84 1.149 21.192 -5.911 1.00 0.00 C ATOM 1198 C ARG A 84 2.174 22.253 -6.300 1.00 0.00 C ATOM 1199 O ARG A 84 3.377 22.067 -6.116 1.00 0.00 O ATOM 1200 CB ARG A 84 1.464 20.651 -4.515 1.00 0.00 C ATOM 1201 CG ARG A 84 0.830 21.455 -3.392 1.00 0.00 C ATOM 1202 CD ARG A 84 1.022 20.777 -2.044 1.00 0.00 C ATOM 1203 NE ARG A 84 2.305 21.119 -1.438 1.00 0.00 N ATOM 1204 CZ ARG A 84 2.704 20.664 -0.255 1.00 0.00 C ATOM 1205 NH1 ARG A 84 1.924 19.851 0.443 1.00 0.00 N ATOM 1206 NH2 ARG A 84 3.887 21.020 0.230 1.00 0.00 N ATOM 0 H ARG A 84 1.738 19.321 -6.650 1.00 0.00 H new ATOM 0 HA ARG A 84 0.161 21.653 -5.900 1.00 0.00 H new ATOM 0 HB2 ARG A 84 1.121 19.618 -4.449 1.00 0.00 H new ATOM 0 HB3 ARG A 84 2.545 20.638 -4.375 1.00 0.00 H new ATOM 0 HG2 ARG A 84 1.269 22.452 -3.365 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -0.235 21.580 -3.589 1.00 0.00 H new ATOM 0 HD2 ARG A 84 0.215 21.069 -1.373 1.00 0.00 H new ATOM 0 HD3 ARG A 84 0.957 19.696 -2.169 1.00 0.00 H new ATOM 0 HE ARG A 84 2.930 21.741 -1.951 1.00 0.00 H new ATOM 0 HH11 ARG A 84 1.015 19.573 0.072 1.00 0.00 H new ATOM 0 HH12 ARG A 84 2.233 19.503 1.351 1.00 0.00 H new ATOM 0 HH21 ARG A 84 4.491 21.644 -0.305 1.00 0.00 H new ATOM 0 HH22 ARG A 84 4.192 20.670 1.138 1.00 0.00 H new ATOM 1220 N LEU A 85 1.690 23.367 -6.840 1.00 0.00 N ATOM 1221 CA LEU A 85 2.563 24.458 -7.256 1.00 0.00 C ATOM 1222 C LEU A 85 2.846 25.403 -6.093 1.00 0.00 C ATOM 1223 O LEU A 85 1.936 26.039 -5.559 1.00 0.00 O ATOM 1224 CB LEU A 85 1.930 25.231 -8.414 1.00 0.00 C ATOM 1225 CG LEU A 85 2.765 26.374 -8.994 1.00 0.00 C ATOM 1226 CD1 LEU A 85 3.659 25.866 -10.115 1.00 0.00 C ATOM 1227 CD2 LEU A 85 1.862 27.492 -9.494 1.00 0.00 C ATOM 0 H LEU A 85 0.697 23.538 -7.000 1.00 0.00 H new ATOM 0 HA LEU A 85 3.508 24.028 -7.588 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.708 24.527 -9.216 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.978 25.639 -8.075 1.00 0.00 H new ATOM 0 HG LEU A 85 3.400 26.773 -8.203 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.246 26.693 -10.516 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.330 25.100 -9.726 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.043 25.441 -10.907 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.472 28.297 -9.903 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.202 27.106 -10.271 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.264 27.875 -8.667 1.00 0.00 H new ATOM 1239 N THR A 86 4.114 25.494 -5.705 1.00 0.00 N ATOM 1240 CA THR A 86 4.517 26.362 -4.606 1.00 0.00 C ATOM 1241 C THR A 86 5.095 27.674 -5.125 1.00 0.00 C ATOM 1242 O THR A 86 6.095 27.681 -5.843 1.00 0.00 O ATOM 1243 CB THR A 86 5.559 25.677 -3.702 1.00 0.00 C ATOM 1244 OG1 THR A 86 5.355 24.260 -3.705 1.00 0.00 O ATOM 1245 CG2 THR A 86 5.470 26.204 -2.277 1.00 0.00 C ATOM 0 H THR A 86 4.880 24.977 -6.136 1.00 0.00 H new ATOM 0 HA THR A 86 3.620 26.569 -4.022 1.00 0.00 H new ATOM 0 HB THR A 86 6.551 25.902 -4.094 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.023 23.832 -3.129 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.215 25.705 -1.657 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.655 27.278 -2.274 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.475 26.006 -1.877 1.00 0.00 H new ATOM 1253 N ILE A 87 4.461 28.782 -4.756 1.00 0.00 N ATOM 1254 CA ILE A 87 4.914 30.099 -5.184 1.00 0.00 C ATOM 1255 C ILE A 87 5.351 30.944 -3.992 1.00 0.00 C ATOM 1256 O ILE A 87 4.659 31.036 -2.977 1.00 0.00 O ATOM 1257 CB ILE A 87 3.812 30.851 -5.954 1.00 0.00 C ATOM 1258 CG1 ILE A 87 3.305 30.000 -7.120 1.00 0.00 C ATOM 1259 CG2 ILE A 87 4.335 32.188 -6.456 1.00 0.00 C ATOM 1260 CD1 ILE A 87 2.175 29.068 -6.742 1.00 0.00 C ATOM 0 H ILE A 87 3.632 28.793 -4.162 1.00 0.00 H new ATOM 0 HA ILE A 87 5.765 29.940 -5.846 1.00 0.00 H new ATOM 0 HB ILE A 87 2.979 31.040 -5.276 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.969 30.659 -7.921 1.00 0.00 H new ATOM 0 HG13 ILE A 87 4.133 29.412 -7.517 1.00 0.00 H new ATOM 0 HG21 ILE A 87 3.545 32.707 -6.998 1.00 0.00 H new ATOM 0 HG22 ILE A 87 4.654 32.795 -5.609 1.00 0.00 H new ATOM 0 HG23 ILE A 87 5.182 32.021 -7.121 1.00 0.00 H new ATOM 0 HD11 ILE A 87 1.866 28.496 -7.617 1.00 0.00 H new ATOM 0 HD12 ILE A 87 2.512 28.385 -5.963 1.00 0.00 H new ATOM 0 HD13 ILE A 87 1.331 29.651 -6.373 1.00 0.00 H new ATOM 1272 N PRO A 88 6.527 31.578 -4.115 1.00 0.00 N ATOM 1273 CA PRO A 88 7.082 32.429 -3.058 1.00 0.00 C ATOM 1274 C PRO A 88 6.293 33.721 -2.880 1.00 0.00 C ATOM 1275 O PRO A 88 5.408 34.051 -3.670 1.00 0.00 O ATOM 1276 CB PRO A 88 8.498 32.731 -3.554 1.00 0.00 C ATOM 1277 CG PRO A 88 8.419 32.592 -5.035 1.00 0.00 C ATOM 1278 CD PRO A 88 7.404 31.513 -5.296 1.00 0.00 C ATOM 0 HA PRO A 88 7.052 31.941 -2.084 1.00 0.00 H new ATOM 0 HB2 PRO A 88 8.812 33.734 -3.267 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.223 32.036 -3.129 1.00 0.00 H new ATOM 0 HG2 PRO A 88 8.119 33.531 -5.500 1.00 0.00 H new ATOM 0 HG3 PRO A 88 9.389 32.325 -5.454 1.00 0.00 H new ATOM 0 HD2 PRO A 88 6.851 31.695 -6.218 1.00 0.00 H new ATOM 0 HD3 PRO A 88 7.874 30.534 -5.394 1.00 0.00 H new ATOM 1286 N PRO A 89 6.618 34.472 -1.817 1.00 0.00 N ATOM 1287 CA PRO A 89 5.951 35.741 -1.511 1.00 0.00 C ATOM 1288 C PRO A 89 6.299 36.835 -2.514 1.00 0.00 C ATOM 1289 O PRO A 89 5.753 37.937 -2.457 1.00 0.00 O ATOM 1290 CB PRO A 89 6.488 36.097 -0.122 1.00 0.00 C ATOM 1291 CG PRO A 89 7.806 35.408 -0.037 1.00 0.00 C ATOM 1292 CD PRO A 89 7.662 34.140 -0.833 1.00 0.00 C ATOM 0 HA PRO A 89 4.865 35.652 -1.553 1.00 0.00 H new ATOM 0 HB2 PRO A 89 6.597 37.175 -0.004 1.00 0.00 H new ATOM 0 HB3 PRO A 89 5.812 35.757 0.663 1.00 0.00 H new ATOM 0 HG2 PRO A 89 8.601 36.035 -0.442 1.00 0.00 H new ATOM 0 HG3 PRO A 89 8.067 35.191 0.999 1.00 0.00 H new ATOM 0 HD2 PRO A 89 8.598 33.862 -1.318 1.00 0.00 H new ATOM 0 HD3 PRO A 89 7.368 33.301 -0.203 1.00 0.00 H new ATOM 1300 N GLN A 90 7.210 36.524 -3.430 1.00 0.00 N ATOM 1301 CA GLN A 90 7.630 37.482 -4.445 1.00 0.00 C ATOM 1302 C GLN A 90 6.891 37.244 -5.758 1.00 0.00 C ATOM 1303 O GLN A 90 6.433 38.187 -6.405 1.00 0.00 O ATOM 1304 CB GLN A 90 9.140 37.388 -4.672 1.00 0.00 C ATOM 1305 CG GLN A 90 9.696 38.506 -5.539 1.00 0.00 C ATOM 1306 CD GLN A 90 11.194 38.397 -5.742 1.00 0.00 C ATOM 1307 OE1 GLN A 90 11.679 38.381 -6.874 1.00 0.00 O ATOM 1308 NE2 GLN A 90 11.937 38.322 -4.644 1.00 0.00 N ATOM 0 H GLN A 90 7.671 35.616 -3.490 1.00 0.00 H new ATOM 0 HA GLN A 90 7.385 38.482 -4.087 1.00 0.00 H new ATOM 0 HB2 GLN A 90 9.646 37.403 -3.707 1.00 0.00 H new ATOM 0 HB3 GLN A 90 9.370 36.430 -5.138 1.00 0.00 H new ATOM 0 HG2 GLN A 90 9.200 38.489 -6.509 1.00 0.00 H new ATOM 0 HG3 GLN A 90 9.464 39.467 -5.079 1.00 0.00 H new ATOM 0 HE21 GLN A 90 11.493 38.339 -3.726 1.00 0.00 H new ATOM 0 HE22 GLN A 90 12.952 38.248 -4.719 1.00 0.00 H new ATOM 1317 N LEU A 91 6.779 35.979 -6.147 1.00 0.00 N ATOM 1318 CA LEU A 91 6.096 35.616 -7.383 1.00 0.00 C ATOM 1319 C LEU A 91 4.622 35.321 -7.125 1.00 0.00 C ATOM 1320 O LEU A 91 3.938 34.737 -7.964 1.00 0.00 O ATOM 1321 CB LEU A 91 6.767 34.399 -8.022 1.00 0.00 C ATOM 1322 CG LEU A 91 8.292 34.449 -8.122 1.00 0.00 C ATOM 1323 CD1 LEU A 91 8.819 33.225 -8.855 1.00 0.00 C ATOM 1324 CD2 LEU A 91 8.739 35.725 -8.820 1.00 0.00 C ATOM 0 H LEU A 91 7.153 35.187 -5.624 1.00 0.00 H new ATOM 0 HA LEU A 91 6.164 36.462 -8.067 1.00 0.00 H new ATOM 0 HB2 LEU A 91 6.489 33.514 -7.450 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.361 34.270 -9.025 1.00 0.00 H new ATOM 0 HG LEU A 91 8.704 34.448 -7.113 1.00 0.00 H new ATOM 0 HD11 LEU A 91 9.906 33.278 -8.917 1.00 0.00 H new ATOM 0 HD12 LEU A 91 8.530 32.324 -8.314 1.00 0.00 H new ATOM 0 HD13 LEU A 91 8.400 33.195 -9.861 1.00 0.00 H new ATOM 0 HD21 LEU A 91 9.827 35.744 -8.882 1.00 0.00 H new ATOM 0 HD22 LEU A 91 8.317 35.757 -9.825 1.00 0.00 H new ATOM 0 HD23 LEU A 91 8.393 36.590 -8.254 1.00 0.00 H new ATOM 1336 N GLY A 92 4.137 35.730 -5.956 1.00 0.00 N ATOM 1337 CA GLY A 92 2.747 35.503 -5.608 1.00 0.00 C ATOM 1338 C GLY A 92 2.035 36.777 -5.200 1.00 0.00 C ATOM 1339 O GLY A 92 1.708 37.611 -6.044 1.00 0.00 O ATOM 0 H GLY A 92 4.683 36.215 -5.244 1.00 0.00 H new ATOM 0 HA2 GLY A 92 2.231 35.059 -6.459 1.00 0.00 H new ATOM 0 HA3 GLY A 92 2.693 34.783 -4.791 1.00 0.00 H new ATOM 1513 N ALA A 106 6.639 35.006 3.071 1.00 0.00 N ATOM 1514 CA ALA A 106 6.056 33.701 3.357 1.00 0.00 C ATOM 1515 C ALA A 106 5.797 32.921 2.072 1.00 0.00 C ATOM 1516 O ALA A 106 5.429 33.496 1.048 1.00 0.00 O ATOM 1517 CB ALA A 106 4.766 33.861 4.148 1.00 0.00 C ATOM 0 HA ALA A 106 6.770 33.136 3.956 1.00 0.00 H new ATOM 0 HB1 ALA A 106 4.342 32.878 4.354 1.00 0.00 H new ATOM 0 HB2 ALA A 106 4.977 34.370 5.088 1.00 0.00 H new ATOM 0 HB3 ALA A 106 4.054 34.449 3.568 1.00 0.00 H new ATOM 1523 N THR A 107 5.992 31.608 2.133 1.00 0.00 N ATOM 1524 CA THR A 107 5.782 30.749 0.974 1.00 0.00 C ATOM 1525 C THR A 107 4.321 30.329 0.859 1.00 0.00 C ATOM 1526 O THR A 107 3.746 29.780 1.800 1.00 0.00 O ATOM 1527 CB THR A 107 6.663 29.488 1.042 1.00 0.00 C ATOM 1528 OG1 THR A 107 8.047 29.856 1.036 1.00 0.00 O ATOM 1529 CG2 THR A 107 6.375 28.563 -0.131 1.00 0.00 C ATOM 0 H THR A 107 6.295 31.116 2.973 1.00 0.00 H new ATOM 0 HA THR A 107 6.061 31.330 0.095 1.00 0.00 H new ATOM 0 HB THR A 107 6.432 28.960 1.967 1.00 0.00 H new ATOM 0 HG1 THR A 107 8.600 29.048 1.081 1.00 0.00 H new ATOM 0 HG21 THR A 107 7.009 27.679 -0.062 1.00 0.00 H new ATOM 0 HG22 THR A 107 5.328 28.261 -0.108 1.00 0.00 H new ATOM 0 HG23 THR A 107 6.581 29.085 -1.065 1.00 0.00 H new ATOM 1537 N LEU A 108 3.725 30.590 -0.299 1.00 0.00 N ATOM 1538 CA LEU A 108 2.329 30.238 -0.537 1.00 0.00 C ATOM 1539 C LEU A 108 2.222 28.908 -1.276 1.00 0.00 C ATOM 1540 O LEU A 108 2.889 28.692 -2.288 1.00 0.00 O ATOM 1541 CB LEU A 108 1.635 31.339 -1.341 1.00 0.00 C ATOM 1542 CG LEU A 108 1.139 32.543 -0.541 1.00 0.00 C ATOM 1543 CD1 LEU A 108 0.104 32.111 0.487 1.00 0.00 C ATOM 1544 CD2 LEU A 108 2.304 33.250 0.137 1.00 0.00 C ATOM 0 H LEU A 108 4.186 31.044 -1.088 1.00 0.00 H new ATOM 0 HA LEU A 108 1.835 30.137 0.429 1.00 0.00 H new ATOM 0 HB2 LEU A 108 2.327 31.695 -2.104 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.785 30.899 -1.862 1.00 0.00 H new ATOM 0 HG LEU A 108 0.667 33.243 -1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -0.238 32.981 1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -0.743 31.651 -0.021 1.00 0.00 H new ATOM 0 HD13 LEU A 108 0.551 31.391 1.173 1.00 0.00 H new ATOM 0 HD21 LEU A 108 1.932 34.105 0.702 1.00 0.00 H new ATOM 0 HD22 LEU A 108 2.805 32.558 0.814 1.00 0.00 H new ATOM 0 HD23 LEU A 108 3.010 33.594 -0.619 1.00 0.00 H new ATOM 1556 N VAL A 109 1.375 28.020 -0.765 1.00 0.00 N ATOM 1557 CA VAL A 109 1.177 26.712 -1.379 1.00 0.00 C ATOM 1558 C VAL A 109 -0.129 26.665 -2.163 1.00 0.00 C ATOM 1559 O VAL A 109 -1.215 26.739 -1.586 1.00 0.00 O ATOM 1560 CB VAL A 109 1.170 25.591 -0.322 1.00 0.00 C ATOM 1561 CG1 VAL A 109 0.861 24.250 -0.968 1.00 0.00 C ATOM 1562 CG2 VAL A 109 2.500 25.545 0.414 1.00 0.00 C ATOM 0 H VAL A 109 0.815 28.182 0.072 1.00 0.00 H new ATOM 0 HA VAL A 109 2.012 26.553 -2.061 1.00 0.00 H new ATOM 0 HB VAL A 109 0.387 25.805 0.405 1.00 0.00 H new ATOM 0 HG11 VAL A 109 0.860 23.471 -0.206 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.119 24.293 -1.444 1.00 0.00 H new ATOM 0 HG13 VAL A 109 1.619 24.024 -1.718 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.477 24.748 1.157 1.00 0.00 H new ATOM 0 HG22 VAL A 109 3.303 25.355 -0.298 1.00 0.00 H new ATOM 0 HG23 VAL A 109 2.674 26.499 0.911 1.00 0.00 H new ATOM 1572 N PHE A 110 -0.018 26.541 -3.481 1.00 0.00 N ATOM 1573 CA PHE A 110 -1.191 26.484 -4.346 1.00 0.00 C ATOM 1574 C PHE A 110 -1.261 25.148 -5.081 1.00 0.00 C ATOM 1575 O PHE A 110 -0.269 24.685 -5.642 1.00 0.00 O ATOM 1576 CB PHE A 110 -1.163 27.633 -5.355 1.00 0.00 C ATOM 1577 CG PHE A 110 -1.523 28.964 -4.759 1.00 0.00 C ATOM 1578 CD1 PHE A 110 -2.850 29.329 -4.596 1.00 0.00 C ATOM 1579 CD2 PHE A 110 -0.535 29.850 -4.361 1.00 0.00 C ATOM 1580 CE1 PHE A 110 -3.185 30.552 -4.047 1.00 0.00 C ATOM 1581 CE2 PHE A 110 -0.864 31.075 -3.812 1.00 0.00 C ATOM 1582 CZ PHE A 110 -2.191 31.427 -3.656 1.00 0.00 C ATOM 0 H PHE A 110 0.873 26.478 -3.974 1.00 0.00 H new ATOM 0 HA PHE A 110 -2.078 26.581 -3.720 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -0.167 27.697 -5.792 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -1.854 27.409 -6.168 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -3.632 28.649 -4.902 1.00 0.00 H new ATOM 0 HD2 PHE A 110 0.504 29.580 -4.481 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -4.223 30.823 -3.924 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -0.084 31.757 -3.505 1.00 0.00 H new ATOM 0 HZ PHE A 110 -2.450 32.385 -3.229 1.00 0.00 H new ATOM 1592 N GLU A 111 -2.441 24.536 -5.071 1.00 0.00 N ATOM 1593 CA GLU A 111 -2.640 23.253 -5.736 1.00 0.00 C ATOM 1594 C GLU A 111 -3.363 23.436 -7.067 1.00 0.00 C ATOM 1595 O GLU A 111 -4.469 23.975 -7.116 1.00 0.00 O ATOM 1596 CB GLU A 111 -3.436 22.306 -4.836 1.00 0.00 C ATOM 1597 CG GLU A 111 -3.382 20.854 -5.281 1.00 0.00 C ATOM 1598 CD GLU A 111 -4.411 19.990 -4.578 1.00 0.00 C ATOM 1599 OE1 GLU A 111 -5.595 20.385 -4.544 1.00 0.00 O ATOM 1600 OE2 GLU A 111 -4.031 18.917 -4.063 1.00 0.00 O ATOM 0 H GLU A 111 -3.272 24.907 -4.611 1.00 0.00 H new ATOM 0 HA GLU A 111 -1.660 22.818 -5.932 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -3.054 22.380 -3.818 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -4.476 22.631 -4.811 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -3.544 20.802 -6.358 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -2.386 20.456 -5.088 1.00 0.00 H new ATOM 1607 N VAL A 112 -2.731 22.983 -8.144 1.00 0.00 N ATOM 1608 CA VAL A 112 -3.313 23.096 -9.476 1.00 0.00 C ATOM 1609 C VAL A 112 -3.562 21.720 -10.086 1.00 0.00 C ATOM 1610 O VAL A 112 -2.647 20.905 -10.195 1.00 0.00 O ATOM 1611 CB VAL A 112 -2.404 23.906 -10.419 1.00 0.00 C ATOM 1612 CG1 VAL A 112 -3.051 24.054 -11.788 1.00 0.00 C ATOM 1613 CG2 VAL A 112 -2.092 25.268 -9.818 1.00 0.00 C ATOM 0 H VAL A 112 -1.815 22.534 -8.121 1.00 0.00 H new ATOM 0 HA VAL A 112 -4.263 23.618 -9.363 1.00 0.00 H new ATOM 0 HB VAL A 112 -1.466 23.366 -10.544 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -2.394 24.629 -12.441 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -3.218 23.067 -12.220 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -4.005 24.572 -11.686 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -1.449 25.827 -10.498 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -3.020 25.818 -9.662 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -1.583 25.136 -8.863 1.00 0.00 H new ATOM 1623 N GLU A 113 -4.806 21.471 -10.481 1.00 0.00 N ATOM 1624 CA GLU A 113 -5.175 20.193 -11.080 1.00 0.00 C ATOM 1625 C GLU A 113 -5.926 20.403 -12.391 1.00 0.00 C ATOM 1626 O GLU A 113 -7.024 20.962 -12.408 1.00 0.00 O ATOM 1627 CB GLU A 113 -6.036 19.380 -10.110 1.00 0.00 C ATOM 1628 CG GLU A 113 -7.035 20.220 -9.333 1.00 0.00 C ATOM 1629 CD GLU A 113 -8.283 19.444 -8.958 1.00 0.00 C ATOM 1630 OE1 GLU A 113 -8.746 18.631 -9.785 1.00 0.00 O ATOM 1631 OE2 GLU A 113 -8.796 19.650 -7.839 1.00 0.00 O ATOM 0 H GLU A 113 -5.575 22.136 -10.397 1.00 0.00 H new ATOM 0 HA GLU A 113 -4.259 19.642 -11.291 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -6.575 18.615 -10.669 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -5.385 18.862 -9.406 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -6.560 20.597 -8.427 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -7.317 21.087 -9.930 1.00 0.00 H new ATOM 1638 N LEU A 114 -5.327 19.952 -13.488 1.00 0.00 N ATOM 1639 CA LEU A 114 -5.939 20.090 -14.805 1.00 0.00 C ATOM 1640 C LEU A 114 -7.189 19.224 -14.919 1.00 0.00 C ATOM 1641 O LEU A 114 -7.158 18.029 -14.624 1.00 0.00 O ATOM 1642 CB LEU A 114 -4.938 19.707 -15.896 1.00 0.00 C ATOM 1643 CG LEU A 114 -4.053 20.837 -16.423 1.00 0.00 C ATOM 1644 CD1 LEU A 114 -4.816 21.689 -17.426 1.00 0.00 C ATOM 1645 CD2 LEU A 114 -3.541 21.694 -15.274 1.00 0.00 C ATOM 0 H LEU A 114 -4.419 19.488 -13.492 1.00 0.00 H new ATOM 0 HA LEU A 114 -6.229 21.132 -14.936 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -4.293 18.918 -15.508 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -5.490 19.284 -16.735 1.00 0.00 H new ATOM 0 HG LEU A 114 -3.196 20.394 -16.930 1.00 0.00 H new ATOM 0 HD11 LEU A 114 -4.170 22.488 -17.790 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -5.133 21.068 -18.264 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -5.692 22.122 -16.943 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -2.913 22.493 -15.668 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -4.386 22.127 -14.738 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -2.957 21.076 -14.592 1.00 0.00 H new ATOM 1657 N LEU A 115 -8.287 19.834 -15.350 1.00 0.00 N ATOM 1658 CA LEU A 115 -9.549 19.118 -15.506 1.00 0.00 C ATOM 1659 C LEU A 115 -9.863 18.882 -16.980 1.00 0.00 C ATOM 1660 O LEU A 115 -10.379 17.828 -17.354 1.00 0.00 O ATOM 1661 CB LEU A 115 -10.687 19.901 -14.849 1.00 0.00 C ATOM 1662 CG LEU A 115 -10.656 19.977 -13.322 1.00 0.00 C ATOM 1663 CD1 LEU A 115 -11.209 21.310 -12.843 1.00 0.00 C ATOM 1664 CD2 LEU A 115 -11.441 18.823 -12.716 1.00 0.00 C ATOM 0 H LEU A 115 -8.330 20.823 -15.598 1.00 0.00 H new ATOM 0 HA LEU A 115 -9.452 18.150 -15.015 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -10.677 20.917 -15.244 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -11.633 19.451 -15.151 1.00 0.00 H new ATOM 0 HG LEU A 115 -9.620 19.898 -12.993 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -11.179 21.346 -11.754 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -10.606 22.122 -13.250 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -12.239 21.419 -13.182 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -11.409 18.892 -11.629 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -12.477 18.871 -13.052 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -11.001 17.877 -13.033 1.00 0.00 H new ATOM 1676 N ASP A 116 -9.545 19.867 -17.812 1.00 0.00 N ATOM 1677 CA ASP A 116 -9.790 19.765 -19.246 1.00 0.00 C ATOM 1678 C ASP A 116 -9.081 20.887 -19.999 1.00 0.00 C ATOM 1679 O ASP A 116 -8.795 21.943 -19.436 1.00 0.00 O ATOM 1680 CB ASP A 116 -11.292 19.811 -19.533 1.00 0.00 C ATOM 1681 CG ASP A 116 -11.684 18.932 -20.704 1.00 0.00 C ATOM 1682 OD1 ASP A 116 -11.282 17.750 -20.720 1.00 0.00 O ATOM 1683 OD2 ASP A 116 -12.395 19.426 -21.604 1.00 0.00 O ATOM 0 H ASP A 116 -9.117 20.745 -17.519 1.00 0.00 H new ATOM 0 HA ASP A 116 -9.391 18.811 -19.591 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -11.839 19.494 -18.645 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -11.588 20.839 -19.739 1.00 0.00 H new ATOM 1688 N VAL A 117 -8.799 20.649 -21.276 1.00 0.00 N ATOM 1689 CA VAL A 117 -8.123 21.638 -22.107 1.00 0.00 C ATOM 1690 C VAL A 117 -8.868 21.855 -23.419 1.00 0.00 C ATOM 1691 O VAL A 117 -9.561 22.862 -23.559 1.00 0.00 O ATOM 1692 CB VAL A 117 -6.674 21.216 -22.416 1.00 0.00 C ATOM 1693 CG1 VAL A 117 -6.642 19.825 -23.030 1.00 0.00 C ATOM 1694 CG2 VAL A 117 -6.009 22.229 -23.336 1.00 0.00 C ATOM 0 H VAL A 117 -9.028 19.780 -21.758 1.00 0.00 H new ATOM 0 HA VAL A 117 -8.109 22.570 -21.542 1.00 0.00 H new ATOM 0 HB VAL A 117 -6.115 21.187 -21.481 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -5.610 19.544 -23.241 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -7.077 19.109 -22.333 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -7.216 19.823 -23.957 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -4.986 21.915 -23.544 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -6.566 22.292 -24.271 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -5.998 23.206 -22.853 1.00 0.00 H new