USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 818 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 14 THR OG1 : rot 18:sc= -1.35! USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -12! C(o=-12!,f=-18!) USER MOD Single : A 33 LYS NZ :NH3+ -113:sc= 0.235 (180deg=-0.996) USER MOD Single : A 35 HIS : no HD1:sc= -0.801 K(o=-0.8,f=-1.5) USER MOD Single : A 36 SER OG : rot -160:sc= -0.0422 USER MOD Single : A 45 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0293) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 30:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot -168:sc= 0.437 USER MOD Single : A 51 THR OG1 : rot 180:sc=-0.00089 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.0319 X(o=-0.032,f=-0.43) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -2.96! C(o=-3!,f=-7.2!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 75:sc= 1.06 USER MOD Single : A 83 THR OG1 : rot 130:sc= 1.38 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 ASN : amide:sc= -4.14! C(o=-4.1!,f=-4!) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 ASN : amide:sc= -2.36! C(o=-2.4!,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 182 N THR A 14 -0.932 6.731 5.618 1.00 0.00 N ATOM 183 CA THR A 14 -1.678 5.982 4.615 1.00 0.00 C ATOM 184 C THR A 14 -2.345 4.756 5.228 1.00 0.00 C ATOM 185 O THR A 14 -1.840 4.179 6.191 1.00 0.00 O ATOM 186 CB THR A 14 -0.766 5.531 3.458 1.00 0.00 C ATOM 187 OG1 THR A 14 0.299 6.471 3.279 1.00 0.00 O ATOM 188 CG2 THR A 14 -1.557 5.402 2.165 1.00 0.00 C ATOM 0 HA THR A 14 -2.444 6.652 4.225 1.00 0.00 H new ATOM 0 HB THR A 14 -0.351 4.555 3.711 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.388 7.021 4.085 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.892 5.083 1.362 1.00 0.00 H new ATOM 0 HG22 THR A 14 -2.349 4.665 2.295 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.997 6.366 1.910 1.00 0.00 H new ATOM 196 N ALA A 15 -3.482 4.363 4.664 1.00 0.00 N ATOM 197 CA ALA A 15 -4.217 3.204 5.154 1.00 0.00 C ATOM 198 C ALA A 15 -3.407 1.924 4.975 1.00 0.00 C ATOM 199 O ALA A 15 -2.696 1.744 3.986 1.00 0.00 O ATOM 200 CB ALA A 15 -5.556 3.087 4.440 1.00 0.00 C ATOM 0 H ALA A 15 -3.914 4.830 3.867 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.397 3.343 6.220 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.094 2.217 4.816 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.146 3.985 4.623 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.389 2.975 3.369 1.00 0.00 H new ATOM 206 N PRO A 16 -3.513 1.014 5.955 1.00 0.00 N ATOM 207 CA PRO A 16 -2.797 -0.265 5.928 1.00 0.00 C ATOM 208 C PRO A 16 -3.335 -1.209 4.858 1.00 0.00 C ATOM 209 O PRO A 16 -4.541 -1.264 4.614 1.00 0.00 O ATOM 210 CB PRO A 16 -3.047 -0.841 7.324 1.00 0.00 C ATOM 211 CG PRO A 16 -4.323 -0.214 7.769 1.00 0.00 C ATOM 212 CD PRO A 16 -4.342 1.162 7.163 1.00 0.00 C ATOM 0 HA PRO A 16 -1.742 -0.136 5.688 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -3.129 -1.928 7.295 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.230 -0.601 8.004 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.181 -0.798 7.437 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -4.374 -0.162 8.857 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.356 1.479 6.918 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -3.930 1.907 7.844 1.00 0.00 H new ATOM 220 N VAL A 17 -2.434 -1.950 4.222 1.00 0.00 N ATOM 221 CA VAL A 17 -2.819 -2.893 3.178 1.00 0.00 C ATOM 222 C VAL A 17 -2.955 -4.305 3.737 1.00 0.00 C ATOM 223 O VAL A 17 -2.030 -4.832 4.354 1.00 0.00 O ATOM 224 CB VAL A 17 -1.795 -2.905 2.027 1.00 0.00 C ATOM 225 CG1 VAL A 17 -2.226 -3.878 0.940 1.00 0.00 C ATOM 226 CG2 VAL A 17 -1.615 -1.505 1.461 1.00 0.00 C ATOM 0 H VAL A 17 -1.432 -1.916 4.411 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.784 -2.563 2.793 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.835 -3.239 2.420 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.491 -3.873 0.135 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.299 -4.882 1.358 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.197 -3.577 0.546 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.888 -1.531 0.649 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.570 -1.140 1.082 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.258 -0.838 2.246 1.00 0.00 H new ATOM 236 N ALA A 18 -4.116 -4.913 3.516 1.00 0.00 N ATOM 237 CA ALA A 18 -4.374 -6.265 3.995 1.00 0.00 C ATOM 238 C ALA A 18 -4.737 -7.196 2.843 1.00 0.00 C ATOM 239 O ALA A 18 -5.478 -6.817 1.935 1.00 0.00 O ATOM 240 CB ALA A 18 -5.482 -6.254 5.038 1.00 0.00 C ATOM 0 H ALA A 18 -4.893 -4.490 3.008 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.461 -6.641 4.456 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.664 -7.271 5.387 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.183 -5.630 5.880 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.394 -5.854 4.596 1.00 0.00 H new ATOM 246 N LEU A 19 -4.212 -8.416 2.886 1.00 0.00 N ATOM 247 CA LEU A 19 -4.481 -9.401 1.845 1.00 0.00 C ATOM 248 C LEU A 19 -4.568 -10.806 2.434 1.00 0.00 C ATOM 249 O LEU A 19 -3.934 -11.106 3.445 1.00 0.00 O ATOM 250 CB LEU A 19 -3.390 -9.352 0.774 1.00 0.00 C ATOM 251 CG LEU A 19 -3.254 -8.031 0.014 1.00 0.00 C ATOM 252 CD1 LEU A 19 -2.075 -8.086 -0.945 1.00 0.00 C ATOM 253 CD2 LEU A 19 -4.540 -7.713 -0.735 1.00 0.00 C ATOM 0 H LEU A 19 -3.598 -8.746 3.630 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.441 -9.158 1.389 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.434 -9.576 1.247 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.582 -10.146 0.052 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.071 -7.235 0.736 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.994 -7.138 -1.477 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.158 -8.267 -0.384 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.227 -8.892 -1.662 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.426 -6.770 -1.270 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.753 -8.511 -1.447 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.363 -7.630 -0.025 1.00 0.00 H new ATOM 265 N ARG A 20 -5.356 -11.663 1.793 1.00 0.00 N ATOM 266 CA ARG A 20 -5.525 -13.036 2.252 1.00 0.00 C ATOM 267 C ARG A 20 -4.511 -13.961 1.587 1.00 0.00 C ATOM 268 O ARG A 20 -4.742 -14.462 0.487 1.00 0.00 O ATOM 269 CB ARG A 20 -6.945 -13.523 1.959 1.00 0.00 C ATOM 270 CG ARG A 20 -7.239 -14.910 2.507 1.00 0.00 C ATOM 271 CD ARG A 20 -8.732 -15.130 2.695 1.00 0.00 C ATOM 272 NE ARG A 20 -9.413 -15.371 1.426 1.00 0.00 N ATOM 273 CZ ARG A 20 -10.735 -15.396 1.295 1.00 0.00 C ATOM 274 NH1 ARG A 20 -11.513 -15.196 2.349 1.00 0.00 N ATOM 275 NH2 ARG A 20 -11.280 -15.621 0.107 1.00 0.00 N ATOM 0 H ARG A 20 -5.887 -11.430 0.954 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.356 -13.056 3.329 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.657 -12.816 2.383 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.103 -13.527 0.881 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.842 -15.663 1.826 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.728 -15.041 3.461 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.893 -15.979 3.360 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.169 -14.258 3.181 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.843 -15.529 0.595 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -11.097 -15.022 3.264 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -12.528 -15.216 2.245 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.684 -15.775 -0.706 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.295 -15.640 0.007 1.00 0.00 H new ATOM 289 N GLU A 21 -3.386 -14.181 2.262 1.00 0.00 N ATOM 290 CA GLU A 21 -2.336 -15.045 1.734 1.00 0.00 C ATOM 291 C GLU A 21 -2.900 -16.405 1.335 1.00 0.00 C ATOM 292 O GLU A 21 -3.648 -17.025 2.089 1.00 0.00 O ATOM 293 CB GLU A 21 -1.225 -15.225 2.770 1.00 0.00 C ATOM 294 CG GLU A 21 -1.620 -16.114 3.938 1.00 0.00 C ATOM 295 CD GLU A 21 -1.305 -17.577 3.690 1.00 0.00 C ATOM 296 OE1 GLU A 21 -1.229 -17.976 2.509 1.00 0.00 O ATOM 297 OE2 GLU A 21 -1.133 -18.322 4.677 1.00 0.00 O ATOM 0 H GLU A 21 -3.179 -13.774 3.174 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.921 -14.569 0.846 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.349 -15.650 2.281 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.933 -14.246 3.151 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.099 -15.781 4.836 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.687 -16.003 4.129 1.00 0.00 H new ATOM 304 N GLY A 22 -2.536 -16.863 0.141 1.00 0.00 N ATOM 305 CA GLY A 22 -3.015 -18.146 -0.339 1.00 0.00 C ATOM 306 C GLY A 22 -3.189 -18.173 -1.845 1.00 0.00 C ATOM 307 O GLY A 22 -2.849 -19.160 -2.497 1.00 0.00 O ATOM 0 H GLY A 22 -1.918 -16.368 -0.502 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.314 -18.926 -0.043 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -3.968 -18.376 0.138 1.00 0.00 H new ATOM 311 N GLU A 23 -3.720 -17.088 -2.398 1.00 0.00 N ATOM 312 CA GLU A 23 -3.941 -16.993 -3.836 1.00 0.00 C ATOM 313 C GLU A 23 -3.149 -15.834 -4.433 1.00 0.00 C ATOM 314 O GLU A 23 -2.575 -15.021 -3.707 1.00 0.00 O ATOM 315 CB GLU A 23 -5.431 -16.815 -4.135 1.00 0.00 C ATOM 316 CG GLU A 23 -6.185 -18.127 -4.276 1.00 0.00 C ATOM 317 CD GLU A 23 -6.102 -18.700 -5.678 1.00 0.00 C ATOM 318 OE1 GLU A 23 -6.125 -17.908 -6.643 1.00 0.00 O ATOM 319 OE2 GLU A 23 -6.016 -19.939 -5.809 1.00 0.00 O ATOM 0 H GLU A 23 -4.005 -16.262 -1.872 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.595 -17.920 -4.293 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.886 -16.229 -3.337 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.542 -16.241 -5.055 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.783 -18.851 -3.567 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.231 -17.971 -4.013 1.00 0.00 H new ATOM 326 N ASP A 24 -3.121 -15.765 -5.759 1.00 0.00 N ATOM 327 CA ASP A 24 -2.400 -14.705 -6.455 1.00 0.00 C ATOM 328 C ASP A 24 -2.922 -13.332 -6.044 1.00 0.00 C ATOM 329 O ASP A 24 -2.158 -12.371 -5.940 1.00 0.00 O ATOM 330 CB ASP A 24 -2.529 -14.881 -7.969 1.00 0.00 C ATOM 331 CG ASP A 24 -2.220 -16.296 -8.416 1.00 0.00 C ATOM 332 OD1 ASP A 24 -1.353 -16.940 -7.790 1.00 0.00 O ATOM 333 OD2 ASP A 24 -2.846 -16.760 -9.393 1.00 0.00 O ATOM 0 H ASP A 24 -3.589 -16.430 -6.374 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.348 -14.772 -6.177 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.541 -14.619 -8.277 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.853 -14.189 -8.471 1.00 0.00 H new ATOM 338 N LEU A 25 -4.227 -13.246 -5.811 1.00 0.00 N ATOM 339 CA LEU A 25 -4.851 -11.990 -5.411 1.00 0.00 C ATOM 340 C LEU A 25 -4.379 -10.841 -6.296 1.00 0.00 C ATOM 341 O LEU A 25 -4.132 -9.735 -5.815 1.00 0.00 O ATOM 342 CB LEU A 25 -4.535 -11.684 -3.946 1.00 0.00 C ATOM 343 CG LEU A 25 -5.482 -12.296 -2.913 1.00 0.00 C ATOM 344 CD1 LEU A 25 -5.616 -13.795 -3.134 1.00 0.00 C ATOM 345 CD2 LEU A 25 -4.991 -12.005 -1.502 1.00 0.00 C ATOM 0 H LEU A 25 -4.873 -14.031 -5.892 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.929 -12.095 -5.529 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.524 -12.031 -3.733 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.535 -10.602 -3.813 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.465 -11.842 -3.035 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.294 -14.213 -2.390 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.013 -13.982 -4.132 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.637 -14.266 -3.039 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.677 -12.448 -0.780 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.997 -12.432 -1.367 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.947 -10.927 -1.347 1.00 0.00 H new ATOM 357 N SER A 26 -4.258 -11.111 -7.592 1.00 0.00 N ATOM 358 CA SER A 26 -3.813 -10.100 -8.544 1.00 0.00 C ATOM 359 C SER A 26 -4.964 -9.177 -8.934 1.00 0.00 C ATOM 360 O SER A 26 -4.778 -7.974 -9.116 1.00 0.00 O ATOM 361 CB SER A 26 -3.233 -10.766 -9.794 1.00 0.00 C ATOM 362 OG SER A 26 -3.070 -9.827 -10.843 1.00 0.00 O ATOM 0 H SER A 26 -4.462 -12.020 -8.006 1.00 0.00 H new ATOM 0 HA SER A 26 -3.037 -9.503 -8.066 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.271 -11.220 -9.555 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.892 -11.570 -10.121 1.00 0.00 H new ATOM 0 HG SER A 26 -2.697 -10.277 -11.630 1.00 0.00 H new ATOM 368 N LYS A 27 -6.156 -9.751 -9.061 1.00 0.00 N ATOM 369 CA LYS A 27 -7.340 -8.982 -9.428 1.00 0.00 C ATOM 370 C LYS A 27 -7.528 -7.792 -8.492 1.00 0.00 C ATOM 371 O LYS A 27 -7.558 -6.642 -8.931 1.00 0.00 O ATOM 372 CB LYS A 27 -8.583 -9.874 -9.392 1.00 0.00 C ATOM 373 CG LYS A 27 -8.829 -10.627 -10.688 1.00 0.00 C ATOM 374 CD LYS A 27 -7.786 -11.710 -10.909 1.00 0.00 C ATOM 375 CE LYS A 27 -8.055 -12.929 -10.040 1.00 0.00 C ATOM 376 NZ LYS A 27 -7.028 -13.989 -10.239 1.00 0.00 N ATOM 0 H LYS A 27 -6.328 -10.746 -8.915 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.199 -8.606 -10.441 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.481 -10.592 -8.578 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.455 -9.259 -9.168 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.822 -11.076 -10.667 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.813 -9.929 -11.525 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.782 -12.004 -11.959 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.796 -11.314 -10.685 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.071 -12.631 -8.992 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.041 -13.331 -10.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.246 -14.803 -9.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.030 -14.291 -11.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.090 -13.614 -9.993 1.00 0.00 H new ATOM 390 N LYS A 28 -7.654 -8.076 -7.200 1.00 0.00 N ATOM 391 CA LYS A 28 -7.836 -7.029 -6.201 1.00 0.00 C ATOM 392 C LYS A 28 -7.040 -5.781 -6.569 1.00 0.00 C ATOM 393 O LYS A 28 -7.531 -4.661 -6.441 1.00 0.00 O ATOM 394 CB LYS A 28 -7.406 -7.533 -4.821 1.00 0.00 C ATOM 395 CG LYS A 28 -8.207 -8.728 -4.333 1.00 0.00 C ATOM 396 CD LYS A 28 -8.309 -8.750 -2.817 1.00 0.00 C ATOM 397 CE LYS A 28 -8.704 -10.126 -2.305 1.00 0.00 C ATOM 398 NZ LYS A 28 -8.315 -10.320 -0.881 1.00 0.00 N ATOM 0 H LYS A 28 -7.633 -9.022 -6.820 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.894 -6.768 -6.173 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.351 -7.803 -4.855 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.504 -6.721 -4.100 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.207 -8.698 -4.765 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.737 -9.648 -4.680 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.352 -8.460 -2.383 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.044 -8.014 -2.490 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.781 -10.257 -2.408 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.230 -10.892 -2.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.601 -11.270 -0.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.284 -10.221 -0.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.787 -9.605 -0.292 1.00 0.00 H new ATOM 412 N ASN A 29 -5.809 -5.984 -7.028 1.00 0.00 N ATOM 413 CA ASN A 29 -4.945 -4.874 -7.415 1.00 0.00 C ATOM 414 C ASN A 29 -5.738 -3.801 -8.155 1.00 0.00 C ATOM 415 O ASN A 29 -6.726 -4.081 -8.834 1.00 0.00 O ATOM 416 CB ASN A 29 -3.799 -5.376 -8.296 1.00 0.00 C ATOM 417 CG ASN A 29 -2.974 -6.450 -7.614 1.00 0.00 C ATOM 418 OD1 ASN A 29 -2.870 -6.484 -6.388 1.00 0.00 O ATOM 419 ND2 ASN A 29 -2.381 -7.334 -8.408 1.00 0.00 N ATOM 0 H ASN A 29 -5.388 -6.906 -7.141 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.531 -4.434 -6.508 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.206 -5.771 -9.227 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.153 -4.538 -8.560 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.812 -8.079 -8.006 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.495 -7.268 -9.419 1.00 0.00 H new ATOM 426 N PRO A 30 -5.296 -2.542 -8.022 1.00 0.00 N ATOM 427 CA PRO A 30 -4.121 -2.196 -7.216 1.00 0.00 C ATOM 428 C PRO A 30 -4.372 -2.369 -5.722 1.00 0.00 C ATOM 429 O PRO A 30 -5.439 -2.019 -5.218 1.00 0.00 O ATOM 430 CB PRO A 30 -3.882 -0.722 -7.551 1.00 0.00 C ATOM 431 CG PRO A 30 -5.216 -0.208 -7.971 1.00 0.00 C ATOM 432 CD PRO A 30 -5.908 -1.358 -8.649 1.00 0.00 C ATOM 0 HA PRO A 30 -3.270 -2.841 -7.438 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.501 -0.176 -6.688 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.146 -0.611 -8.348 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -5.789 0.140 -7.111 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -5.112 0.639 -8.649 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.986 -1.330 -8.488 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -5.746 -1.345 -9.727 1.00 0.00 H new ATOM 440 N ILE A 31 -3.383 -2.911 -5.020 1.00 0.00 N ATOM 441 CA ILE A 31 -3.497 -3.129 -3.583 1.00 0.00 C ATOM 442 C ILE A 31 -3.034 -1.903 -2.803 1.00 0.00 C ATOM 443 O ILE A 31 -3.577 -1.588 -1.744 1.00 0.00 O ATOM 444 CB ILE A 31 -2.675 -4.351 -3.132 1.00 0.00 C ATOM 445 CG1 ILE A 31 -1.185 -4.113 -3.388 1.00 0.00 C ATOM 446 CG2 ILE A 31 -3.149 -5.604 -3.853 1.00 0.00 C ATOM 447 CD1 ILE A 31 -0.289 -5.149 -2.746 1.00 0.00 C ATOM 0 H ILE A 31 -2.494 -3.207 -5.423 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.551 -3.313 -3.374 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.822 -4.495 -2.062 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.006 -4.106 -4.463 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.913 -3.126 -3.013 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.558 -6.459 -3.524 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.200 -5.780 -3.625 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.028 -5.473 -4.928 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.753 -4.918 -2.969 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.439 -5.141 -1.666 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.534 -6.136 -3.139 1.00 0.00 H new ATOM 459 N ALA A 32 -2.030 -1.214 -3.335 1.00 0.00 N ATOM 460 CA ALA A 32 -1.497 -0.021 -2.690 1.00 0.00 C ATOM 461 C ALA A 32 -1.328 1.115 -3.693 1.00 0.00 C ATOM 462 O ALA A 32 -1.005 0.886 -4.859 1.00 0.00 O ATOM 463 CB ALA A 32 -0.170 -0.333 -2.015 1.00 0.00 C ATOM 0 H ALA A 32 -1.570 -1.462 -4.211 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.210 0.301 -1.931 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.216 0.568 -1.538 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -0.318 -1.108 -1.263 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.544 -0.683 -2.761 1.00 0.00 H new ATOM 469 N LYS A 33 -1.548 2.342 -3.233 1.00 0.00 N ATOM 470 CA LYS A 33 -1.419 3.516 -4.090 1.00 0.00 C ATOM 471 C LYS A 33 -1.238 4.780 -3.256 1.00 0.00 C ATOM 472 O LYS A 33 -2.090 5.120 -2.435 1.00 0.00 O ATOM 473 CB LYS A 33 -2.652 3.655 -4.987 1.00 0.00 C ATOM 474 CG LYS A 33 -3.957 3.753 -4.216 1.00 0.00 C ATOM 475 CD LYS A 33 -5.155 3.791 -5.150 1.00 0.00 C ATOM 476 CE LYS A 33 -5.488 5.213 -5.573 1.00 0.00 C ATOM 477 NZ LYS A 33 -4.692 5.641 -6.756 1.00 0.00 N ATOM 0 H LYS A 33 -1.817 2.550 -2.271 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.536 3.385 -4.715 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.540 4.543 -5.609 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.700 2.798 -5.659 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.047 2.901 -3.542 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.948 4.650 -3.597 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.948 3.187 -6.033 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.018 3.346 -4.655 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.551 5.283 -5.806 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.298 5.893 -4.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.034 6.396 -6.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.153 4.831 -7.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.332 5.995 -7.495 1.00 0.00 H new ATOM 491 N ILE A 34 -0.126 5.473 -3.475 1.00 0.00 N ATOM 492 CA ILE A 34 0.165 6.701 -2.745 1.00 0.00 C ATOM 493 C ILE A 34 -0.344 7.923 -3.502 1.00 0.00 C ATOM 494 O ILE A 34 -0.182 8.026 -4.718 1.00 0.00 O ATOM 495 CB ILE A 34 1.675 6.861 -2.491 1.00 0.00 C ATOM 496 CG1 ILE A 34 2.169 5.782 -1.526 1.00 0.00 C ATOM 497 CG2 ILE A 34 1.976 8.248 -1.943 1.00 0.00 C ATOM 498 CD1 ILE A 34 3.666 5.805 -1.308 1.00 0.00 C ATOM 0 H ILE A 34 0.588 5.205 -4.152 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.350 6.628 -1.787 1.00 0.00 H new ATOM 0 HB ILE A 34 2.202 6.744 -3.438 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.668 5.908 -0.566 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.881 4.803 -1.910 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.048 8.346 -1.769 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.655 9.001 -2.663 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.441 8.392 -1.004 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.945 5.013 -0.613 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.175 5.649 -2.259 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.959 6.770 -0.895 1.00 0.00 H new ATOM 510 N HIS A 35 -0.960 8.849 -2.774 1.00 0.00 N ATOM 511 CA HIS A 35 -1.492 10.067 -3.376 1.00 0.00 C ATOM 512 C HIS A 35 -1.004 11.302 -2.624 1.00 0.00 C ATOM 513 O HIS A 35 -1.650 11.761 -1.682 1.00 0.00 O ATOM 514 CB HIS A 35 -3.020 10.031 -3.385 1.00 0.00 C ATOM 515 CG HIS A 35 -3.621 9.736 -2.046 1.00 0.00 C ATOM 516 ND1 HIS A 35 -4.127 10.714 -1.216 1.00 0.00 N ATOM 517 CD2 HIS A 35 -3.797 8.563 -1.393 1.00 0.00 C ATOM 518 CE1 HIS A 35 -4.586 10.156 -0.110 1.00 0.00 C ATOM 519 NE2 HIS A 35 -4.398 8.851 -0.193 1.00 0.00 N ATOM 0 H HIS A 35 -1.103 8.779 -1.767 1.00 0.00 H new ATOM 0 HA HIS A 35 -1.132 10.123 -4.403 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -3.396 10.991 -3.739 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -3.353 9.276 -4.098 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -3.517 7.583 -1.750 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -5.038 10.678 0.721 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -4.657 8.168 0.519 1.00 0.00 H new ATOM 528 N SER A 36 0.138 11.833 -3.046 1.00 0.00 N ATOM 529 CA SER A 36 0.714 13.012 -2.410 1.00 0.00 C ATOM 530 C SER A 36 -0.198 14.223 -2.582 1.00 0.00 C ATOM 531 O SER A 36 -0.993 14.286 -3.520 1.00 0.00 O ATOM 532 CB SER A 36 2.095 13.312 -2.998 1.00 0.00 C ATOM 533 OG SER A 36 2.524 14.617 -2.651 1.00 0.00 O ATOM 0 H SER A 36 0.683 11.466 -3.826 1.00 0.00 H new ATOM 0 HA SER A 36 0.817 12.805 -1.345 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.816 12.580 -2.634 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.061 13.213 -4.083 1.00 0.00 H new ATOM 0 HG SER A 36 3.226 14.906 -3.270 1.00 0.00 H new ATOM 539 N ASP A 37 -0.077 15.180 -1.670 1.00 0.00 N ATOM 540 CA ASP A 37 -0.890 16.391 -1.719 1.00 0.00 C ATOM 541 C ASP A 37 -0.389 17.337 -2.805 1.00 0.00 C ATOM 542 O ASP A 37 -1.104 17.634 -3.764 1.00 0.00 O ATOM 543 CB ASP A 37 -0.874 17.097 -0.363 1.00 0.00 C ATOM 544 CG ASP A 37 -1.855 16.486 0.619 1.00 0.00 C ATOM 545 OD1 ASP A 37 -2.956 16.087 0.187 1.00 0.00 O ATOM 546 OD2 ASP A 37 -1.521 16.408 1.820 1.00 0.00 O ATOM 0 H ASP A 37 0.576 15.142 -0.887 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.914 16.103 -1.957 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.131 17.051 0.056 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -1.113 18.151 -0.503 1.00 0.00 H new ATOM 551 N LEU A 38 0.843 17.810 -2.649 1.00 0.00 N ATOM 552 CA LEU A 38 1.440 18.724 -3.616 1.00 0.00 C ATOM 553 C LEU A 38 1.307 18.180 -5.035 1.00 0.00 C ATOM 554 O LEU A 38 0.838 18.875 -5.935 1.00 0.00 O ATOM 555 CB LEU A 38 2.915 18.958 -3.283 1.00 0.00 C ATOM 556 CG LEU A 38 3.199 19.689 -1.971 1.00 0.00 C ATOM 557 CD1 LEU A 38 4.687 19.662 -1.657 1.00 0.00 C ATOM 558 CD2 LEU A 38 2.692 21.122 -2.038 1.00 0.00 C ATOM 0 H LEU A 38 1.448 17.575 -1.862 1.00 0.00 H new ATOM 0 HA LEU A 38 0.906 19.673 -3.559 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.418 17.991 -3.253 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.365 19.526 -4.097 1.00 0.00 H new ATOM 0 HG LEU A 38 2.670 19.175 -1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.871 20.187 -0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.021 18.628 -1.565 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.237 20.151 -2.461 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.903 21.627 -1.095 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.193 21.647 -2.851 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.617 21.120 -2.216 1.00 0.00 H new ATOM 570 N ALA A 39 1.721 16.932 -5.225 1.00 0.00 N ATOM 571 CA ALA A 39 1.644 16.292 -6.533 1.00 0.00 C ATOM 572 C ALA A 39 0.393 16.732 -7.286 1.00 0.00 C ATOM 573 O ALA A 39 0.453 17.053 -8.472 1.00 0.00 O ATOM 574 CB ALA A 39 1.667 14.779 -6.383 1.00 0.00 C ATOM 0 H ALA A 39 2.113 16.344 -4.490 1.00 0.00 H new ATOM 0 HA ALA A 39 2.514 16.601 -7.113 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.609 14.315 -7.368 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.592 14.476 -5.893 1.00 0.00 H new ATOM 0 HB3 ALA A 39 0.816 14.460 -5.781 1.00 0.00 H new ATOM 580 N GLU A 40 -0.739 16.743 -6.589 1.00 0.00 N ATOM 581 CA GLU A 40 -2.004 17.142 -7.194 1.00 0.00 C ATOM 582 C GLU A 40 -2.301 18.612 -6.914 1.00 0.00 C ATOM 583 O GLU A 40 -2.424 19.417 -7.836 1.00 0.00 O ATOM 584 CB GLU A 40 -3.145 16.270 -6.665 1.00 0.00 C ATOM 585 CG GLU A 40 -3.301 14.955 -7.410 1.00 0.00 C ATOM 586 CD GLU A 40 -2.214 13.956 -7.065 1.00 0.00 C ATOM 587 OE1 GLU A 40 -2.078 13.617 -5.871 1.00 0.00 O ATOM 588 OE2 GLU A 40 -1.499 13.514 -7.988 1.00 0.00 O ATOM 0 H GLU A 40 -0.806 16.480 -5.606 1.00 0.00 H new ATOM 0 HA GLU A 40 -1.921 17.005 -8.272 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.972 16.062 -5.609 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.079 16.828 -6.731 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.274 14.523 -7.176 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.286 15.146 -8.483 1.00 0.00 H new ATOM 595 N GLU A 41 -2.417 18.953 -5.634 1.00 0.00 N ATOM 596 CA GLU A 41 -2.701 20.326 -5.233 1.00 0.00 C ATOM 597 C GLU A 41 -2.039 21.319 -6.183 1.00 0.00 C ATOM 598 O GLU A 41 -2.655 22.300 -6.601 1.00 0.00 O ATOM 599 CB GLU A 41 -2.219 20.573 -3.802 1.00 0.00 C ATOM 600 CG GLU A 41 -3.238 20.194 -2.741 1.00 0.00 C ATOM 601 CD GLU A 41 -4.413 21.151 -2.693 1.00 0.00 C ATOM 602 OE1 GLU A 41 -4.208 22.356 -2.946 1.00 0.00 O ATOM 603 OE2 GLU A 41 -5.538 20.694 -2.401 1.00 0.00 O ATOM 0 H GLU A 41 -2.319 18.298 -4.858 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.780 20.474 -5.276 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.304 20.006 -3.633 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.966 21.627 -3.690 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.603 19.186 -2.937 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.751 20.173 -1.766 1.00 0.00 H new ATOM 610 N ARG A 42 -0.780 21.057 -6.520 1.00 0.00 N ATOM 611 CA ARG A 42 -0.033 21.928 -7.419 1.00 0.00 C ATOM 612 C ARG A 42 0.054 21.321 -8.816 1.00 0.00 C ATOM 613 O ARG A 42 -0.430 21.900 -9.788 1.00 0.00 O ATOM 614 CB ARG A 42 1.373 22.177 -6.871 1.00 0.00 C ATOM 615 CG ARG A 42 1.437 23.297 -5.845 1.00 0.00 C ATOM 616 CD ARG A 42 2.795 23.981 -5.851 1.00 0.00 C ATOM 617 NE ARG A 42 3.090 24.601 -7.139 1.00 0.00 N ATOM 618 CZ ARG A 42 3.998 25.558 -7.304 1.00 0.00 C ATOM 619 NH1 ARG A 42 4.695 26.000 -6.266 1.00 0.00 N ATOM 620 NH2 ARG A 42 4.209 26.073 -8.508 1.00 0.00 N ATOM 0 H ARG A 42 -0.256 20.249 -6.184 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.562 22.878 -7.487 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.745 21.258 -6.417 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.040 22.416 -7.700 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.658 24.030 -6.056 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.236 22.894 -4.852 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.822 24.740 -5.069 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.569 23.251 -5.614 1.00 0.00 H new ATOM 0 HE ARG A 42 2.571 24.283 -7.957 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.535 25.606 -5.339 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.391 26.734 -6.395 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.674 25.735 -9.308 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.906 26.807 -8.634 1.00 0.00 H new ATOM 634 N GLY A 43 0.676 20.149 -8.909 1.00 0.00 N ATOM 635 CA GLY A 43 0.816 19.483 -10.191 1.00 0.00 C ATOM 636 C GLY A 43 2.266 19.277 -10.582 1.00 0.00 C ATOM 637 O GLY A 43 2.654 19.542 -11.721 1.00 0.00 O ATOM 0 H GLY A 43 1.085 19.649 -8.120 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.313 18.517 -10.152 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.316 20.072 -10.960 1.00 0.00 H new ATOM 641 N LEU A 44 3.071 18.806 -9.636 1.00 0.00 N ATOM 642 CA LEU A 44 4.488 18.566 -9.887 1.00 0.00 C ATOM 643 C LEU A 44 4.722 17.137 -10.367 1.00 0.00 C ATOM 644 O LEU A 44 5.846 16.756 -10.694 1.00 0.00 O ATOM 645 CB LEU A 44 5.302 18.830 -8.619 1.00 0.00 C ATOM 646 CG LEU A 44 4.677 19.791 -7.608 1.00 0.00 C ATOM 647 CD1 LEU A 44 5.520 19.859 -6.344 1.00 0.00 C ATOM 648 CD2 LEU A 44 4.515 21.176 -8.218 1.00 0.00 C ATOM 0 H LEU A 44 2.767 18.583 -8.688 1.00 0.00 H new ATOM 0 HA LEU A 44 4.814 19.250 -10.670 1.00 0.00 H new ATOM 0 HB2 LEU A 44 5.481 17.877 -8.121 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.275 19.225 -8.912 1.00 0.00 H new ATOM 0 HG LEU A 44 3.689 19.415 -7.342 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.059 20.548 -5.636 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.584 18.867 -5.896 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.521 20.210 -6.593 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.069 21.847 -7.484 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.491 21.560 -8.514 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.869 21.115 -9.094 1.00 0.00 H new ATOM 660 N LYS A 45 3.652 16.350 -10.409 1.00 0.00 N ATOM 661 CA LYS A 45 3.739 14.964 -10.852 1.00 0.00 C ATOM 662 C LYS A 45 4.824 14.214 -10.086 1.00 0.00 C ATOM 663 O LYS A 45 5.714 13.609 -10.685 1.00 0.00 O ATOM 664 CB LYS A 45 4.026 14.904 -12.354 1.00 0.00 C ATOM 665 CG LYS A 45 4.141 13.490 -12.896 1.00 0.00 C ATOM 666 CD LYS A 45 3.793 13.428 -14.374 1.00 0.00 C ATOM 667 CE LYS A 45 2.288 13.464 -14.593 1.00 0.00 C ATOM 668 NZ LYS A 45 1.651 12.155 -14.280 1.00 0.00 N ATOM 0 H LYS A 45 2.714 16.649 -10.141 1.00 0.00 H new ATOM 0 HA LYS A 45 2.781 14.485 -10.652 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.232 15.425 -12.888 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.953 15.439 -12.560 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.156 13.123 -12.745 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.477 12.830 -12.337 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.258 14.266 -14.894 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.203 12.516 -14.808 1.00 0.00 H new ATOM 0 HE2 LYS A 45 1.848 14.241 -13.967 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.078 13.732 -15.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.644 12.189 -14.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.122 11.402 -14.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.742 11.959 -13.263 1.00 0.00 H new ATOM 682 N ILE A 46 4.744 14.257 -8.761 1.00 0.00 N ATOM 683 CA ILE A 46 5.718 13.580 -7.914 1.00 0.00 C ATOM 684 C ILE A 46 5.708 12.075 -8.160 1.00 0.00 C ATOM 685 O ILE A 46 4.647 11.456 -8.253 1.00 0.00 O ATOM 686 CB ILE A 46 5.448 13.846 -6.421 1.00 0.00 C ATOM 687 CG1 ILE A 46 6.034 15.198 -6.008 1.00 0.00 C ATOM 688 CG2 ILE A 46 6.031 12.728 -5.570 1.00 0.00 C ATOM 689 CD1 ILE A 46 5.243 15.894 -4.923 1.00 0.00 C ATOM 0 H ILE A 46 4.014 14.754 -8.250 1.00 0.00 H new ATOM 0 HA ILE A 46 6.697 13.983 -8.175 1.00 0.00 H new ATOM 0 HB ILE A 46 4.370 13.874 -6.261 1.00 0.00 H new ATOM 0 HG12 ILE A 46 7.057 15.051 -5.663 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.083 15.846 -6.883 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.832 12.930 -4.518 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.572 11.780 -5.850 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.107 12.671 -5.731 1.00 0.00 H new ATOM 0 HD11 ILE A 46 5.716 16.846 -4.681 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.226 16.073 -5.272 1.00 0.00 H new ATOM 0 HD13 ILE A 46 5.216 15.266 -4.033 1.00 0.00 H new ATOM 701 N THR A 47 6.897 11.489 -8.264 1.00 0.00 N ATOM 702 CA THR A 47 7.025 10.057 -8.498 1.00 0.00 C ATOM 703 C THR A 47 7.072 9.286 -7.184 1.00 0.00 C ATOM 704 O THR A 47 7.739 9.699 -6.235 1.00 0.00 O ATOM 705 CB THR A 47 8.291 9.733 -9.315 1.00 0.00 C ATOM 706 OG1 THR A 47 8.303 10.500 -10.524 1.00 0.00 O ATOM 707 CG2 THR A 47 8.354 8.250 -9.649 1.00 0.00 C ATOM 0 H THR A 47 7.785 11.985 -8.190 1.00 0.00 H new ATOM 0 HA THR A 47 6.146 9.750 -9.065 1.00 0.00 H new ATOM 0 HB THR A 47 9.162 9.991 -8.713 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.111 10.290 -11.037 1.00 0.00 H new ATOM 0 HG21 THR A 47 9.256 8.045 -10.226 1.00 0.00 H new ATOM 0 HG22 THR A 47 8.374 7.670 -8.726 1.00 0.00 H new ATOM 0 HG23 THR A 47 7.478 7.971 -10.234 1.00 0.00 H new ATOM 715 N TYR A 48 6.360 8.166 -7.135 1.00 0.00 N ATOM 716 CA TYR A 48 6.318 7.339 -5.935 1.00 0.00 C ATOM 717 C TYR A 48 7.248 6.136 -6.070 1.00 0.00 C ATOM 718 O TYR A 48 7.147 5.362 -7.022 1.00 0.00 O ATOM 719 CB TYR A 48 4.889 6.865 -5.666 1.00 0.00 C ATOM 720 CG TYR A 48 3.843 7.930 -5.904 1.00 0.00 C ATOM 721 CD1 TYR A 48 3.254 8.087 -7.153 1.00 0.00 C ATOM 722 CD2 TYR A 48 3.443 8.780 -4.880 1.00 0.00 C ATOM 723 CE1 TYR A 48 2.299 9.059 -7.375 1.00 0.00 C ATOM 724 CE2 TYR A 48 2.487 9.754 -5.093 1.00 0.00 C ATOM 725 CZ TYR A 48 1.918 9.890 -6.342 1.00 0.00 C ATOM 726 OH TYR A 48 0.966 10.859 -6.560 1.00 0.00 O ATOM 0 H TYR A 48 5.804 7.810 -7.912 1.00 0.00 H new ATOM 0 HA TYR A 48 6.656 7.945 -5.095 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.674 6.007 -6.303 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.817 6.521 -4.634 1.00 0.00 H new ATOM 0 HD1 TYR A 48 3.548 7.437 -7.964 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.887 8.677 -3.901 1.00 0.00 H new ATOM 0 HE1 TYR A 48 1.853 9.168 -8.352 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.187 10.406 -4.286 1.00 0.00 H new ATOM 0 HH TYR A 48 0.346 10.558 -7.257 1.00 0.00 H new ATOM 736 N LYS A 49 8.154 5.986 -5.110 1.00 0.00 N ATOM 737 CA LYS A 49 9.101 4.878 -5.118 1.00 0.00 C ATOM 738 C LYS A 49 8.976 4.046 -3.846 1.00 0.00 C ATOM 739 O LYS A 49 8.918 4.587 -2.741 1.00 0.00 O ATOM 740 CB LYS A 49 10.532 5.405 -5.256 1.00 0.00 C ATOM 741 CG LYS A 49 11.537 4.337 -5.654 1.00 0.00 C ATOM 742 CD LYS A 49 12.893 4.941 -5.976 1.00 0.00 C ATOM 743 CE LYS A 49 13.645 5.329 -4.711 1.00 0.00 C ATOM 744 NZ LYS A 49 15.102 5.505 -4.963 1.00 0.00 N ATOM 0 H LYS A 49 8.252 6.619 -4.316 1.00 0.00 H new ATOM 0 HA LYS A 49 8.870 4.241 -5.972 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.547 6.202 -6.000 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.840 5.848 -4.309 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.642 3.615 -4.844 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.165 3.791 -6.521 1.00 0.00 H new ATOM 0 HD2 LYS A 49 13.485 4.226 -6.547 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.760 5.821 -6.606 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.231 6.255 -4.312 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.498 4.561 -3.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 15.578 5.769 -4.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 15.503 4.614 -5.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 15.244 6.255 -5.669 1.00 0.00 H new ATOM 758 N TYR A 50 8.936 2.728 -4.008 1.00 0.00 N ATOM 759 CA TYR A 50 8.817 1.821 -2.872 1.00 0.00 C ATOM 760 C TYR A 50 10.034 0.906 -2.776 1.00 0.00 C ATOM 761 O TYR A 50 10.450 0.300 -3.764 1.00 0.00 O ATOM 762 CB TYR A 50 7.543 0.984 -2.994 1.00 0.00 C ATOM 763 CG TYR A 50 6.369 1.746 -3.565 1.00 0.00 C ATOM 764 CD1 TYR A 50 5.545 2.509 -2.746 1.00 0.00 C ATOM 765 CD2 TYR A 50 6.084 1.705 -4.924 1.00 0.00 C ATOM 766 CE1 TYR A 50 4.471 3.207 -3.264 1.00 0.00 C ATOM 767 CE2 TYR A 50 5.013 2.401 -5.451 1.00 0.00 C ATOM 768 CZ TYR A 50 4.209 3.150 -4.617 1.00 0.00 C ATOM 769 OH TYR A 50 3.141 3.844 -5.137 1.00 0.00 O ATOM 0 H TYR A 50 8.984 2.264 -4.915 1.00 0.00 H new ATOM 0 HA TYR A 50 8.764 2.421 -1.963 1.00 0.00 H new ATOM 0 HB2 TYR A 50 7.746 0.119 -3.626 1.00 0.00 H new ATOM 0 HB3 TYR A 50 7.273 0.603 -2.009 1.00 0.00 H new ATOM 0 HD1 TYR A 50 5.748 2.557 -1.686 1.00 0.00 H new ATOM 0 HD2 TYR A 50 6.710 1.119 -5.580 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.840 3.794 -2.613 1.00 0.00 H new ATOM 0 HE2 TYR A 50 4.806 2.359 -6.510 1.00 0.00 H new ATOM 0 HH TYR A 50 2.979 3.553 -6.059 1.00 0.00 H new ATOM 779 N THR A 51 10.600 0.810 -1.577 1.00 0.00 N ATOM 780 CA THR A 51 11.769 -0.030 -1.350 1.00 0.00 C ATOM 781 C THR A 51 11.592 -0.893 -0.105 1.00 0.00 C ATOM 782 O THR A 51 11.046 -0.443 0.901 1.00 0.00 O ATOM 783 CB THR A 51 13.048 0.815 -1.197 1.00 0.00 C ATOM 784 OG1 THR A 51 12.867 1.795 -0.168 1.00 0.00 O ATOM 785 CG2 THR A 51 13.399 1.506 -2.505 1.00 0.00 C ATOM 0 H THR A 51 10.268 1.304 -0.749 1.00 0.00 H new ATOM 0 HA THR A 51 11.870 -0.673 -2.224 1.00 0.00 H new ATOM 0 HB THR A 51 13.867 0.149 -0.925 1.00 0.00 H new ATOM 0 HG1 THR A 51 13.685 2.327 -0.076 1.00 0.00 H new ATOM 0 HG21 THR A 51 14.305 2.097 -2.373 1.00 0.00 H new ATOM 0 HG22 THR A 51 13.564 0.757 -3.279 1.00 0.00 H new ATOM 0 HG23 THR A 51 12.580 2.161 -2.802 1.00 0.00 H new ATOM 793 N GLY A 52 12.059 -2.136 -0.181 1.00 0.00 N ATOM 794 CA GLY A 52 11.942 -3.042 0.946 1.00 0.00 C ATOM 795 C GLY A 52 11.754 -4.483 0.515 1.00 0.00 C ATOM 796 O GLY A 52 11.854 -4.803 -0.669 1.00 0.00 O ATOM 0 H GLY A 52 12.516 -2.531 -1.003 1.00 0.00 H new ATOM 0 HA2 GLY A 52 12.836 -2.965 1.564 1.00 0.00 H new ATOM 0 HA3 GLY A 52 11.098 -2.739 1.566 1.00 0.00 H new ATOM 800 N LYS A 53 11.482 -5.356 1.479 1.00 0.00 N ATOM 801 CA LYS A 53 11.279 -6.772 1.195 1.00 0.00 C ATOM 802 C LYS A 53 10.357 -6.959 -0.005 1.00 0.00 C ATOM 803 O LYS A 53 9.205 -6.528 0.012 1.00 0.00 O ATOM 804 CB LYS A 53 10.693 -7.480 2.418 1.00 0.00 C ATOM 805 CG LYS A 53 10.814 -8.993 2.361 1.00 0.00 C ATOM 806 CD LYS A 53 9.992 -9.660 3.451 1.00 0.00 C ATOM 807 CE LYS A 53 10.667 -9.543 4.809 1.00 0.00 C ATOM 808 NZ LYS A 53 10.177 -10.575 5.763 1.00 0.00 N ATOM 0 H LYS A 53 11.397 -5.108 2.465 1.00 0.00 H new ATOM 0 HA LYS A 53 12.248 -7.212 0.958 1.00 0.00 H new ATOM 0 HB2 LYS A 53 11.197 -7.117 3.314 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.641 -7.211 2.513 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.483 -9.349 1.385 1.00 0.00 H new ATOM 0 HG3 LYS A 53 11.860 -9.279 2.467 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.004 -9.202 3.494 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.846 -10.712 3.206 1.00 0.00 H new ATOM 0 HE2 LYS A 53 11.746 -9.643 4.688 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.483 -8.551 5.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.661 -10.461 6.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.152 -10.464 5.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.375 -11.522 5.382 1.00 0.00 H new ATOM 822 N GLY A 54 10.871 -7.607 -1.046 1.00 0.00 N ATOM 823 CA GLY A 54 10.079 -7.841 -2.240 1.00 0.00 C ATOM 824 C GLY A 54 10.549 -7.014 -3.420 1.00 0.00 C ATOM 825 O GLY A 54 10.318 -7.378 -4.573 1.00 0.00 O ATOM 0 H GLY A 54 11.822 -7.974 -1.084 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.124 -8.898 -2.501 1.00 0.00 H new ATOM 0 HA3 GLY A 54 9.035 -7.609 -2.031 1.00 0.00 H new ATOM 829 N ILE A 55 11.210 -5.898 -3.132 1.00 0.00 N ATOM 830 CA ILE A 55 11.714 -5.017 -4.178 1.00 0.00 C ATOM 831 C ILE A 55 13.236 -4.930 -4.138 1.00 0.00 C ATOM 832 O ILE A 55 13.903 -5.039 -5.168 1.00 0.00 O ATOM 833 CB ILE A 55 11.126 -3.599 -4.052 1.00 0.00 C ATOM 834 CG1 ILE A 55 9.598 -3.649 -4.126 1.00 0.00 C ATOM 835 CG2 ILE A 55 11.685 -2.695 -5.140 1.00 0.00 C ATOM 836 CD1 ILE A 55 8.920 -2.546 -3.344 1.00 0.00 C ATOM 0 H ILE A 55 11.409 -5.582 -2.183 1.00 0.00 H new ATOM 0 HA ILE A 55 11.402 -5.447 -5.130 1.00 0.00 H new ATOM 0 HB ILE A 55 11.411 -3.188 -3.084 1.00 0.00 H new ATOM 0 HG12 ILE A 55 9.290 -3.586 -5.170 1.00 0.00 H new ATOM 0 HG13 ILE A 55 9.255 -4.613 -3.751 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.260 -1.697 -5.037 1.00 0.00 H new ATOM 0 HG22 ILE A 55 12.769 -2.639 -5.045 1.00 0.00 H new ATOM 0 HG23 ILE A 55 11.427 -3.101 -6.118 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.839 -2.643 -3.441 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.198 -2.621 -2.293 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.234 -1.578 -3.734 1.00 0.00 H new ATOM 848 N THR A 56 13.781 -4.734 -2.941 1.00 0.00 N ATOM 849 CA THR A 56 15.224 -4.632 -2.766 1.00 0.00 C ATOM 850 C THR A 56 15.814 -5.956 -2.294 1.00 0.00 C ATOM 851 O THR A 56 16.835 -6.409 -2.810 1.00 0.00 O ATOM 852 CB THR A 56 15.591 -3.530 -1.755 1.00 0.00 C ATOM 853 OG1 THR A 56 14.896 -3.745 -0.521 1.00 0.00 O ATOM 854 CG2 THR A 56 15.243 -2.154 -2.305 1.00 0.00 C ATOM 0 H THR A 56 13.244 -4.643 -2.079 1.00 0.00 H new ATOM 0 HA THR A 56 15.644 -4.376 -3.739 1.00 0.00 H new ATOM 0 HB THR A 56 16.666 -3.573 -1.578 1.00 0.00 H new ATOM 0 HG1 THR A 56 15.136 -3.041 0.117 1.00 0.00 H new ATOM 0 HG21 THR A 56 15.511 -1.391 -1.574 1.00 0.00 H new ATOM 0 HG22 THR A 56 15.795 -1.981 -3.229 1.00 0.00 H new ATOM 0 HG23 THR A 56 14.173 -2.103 -2.507 1.00 0.00 H new ATOM 862 N GLU A 57 15.165 -6.571 -1.310 1.00 0.00 N ATOM 863 CA GLU A 57 15.628 -7.843 -0.769 1.00 0.00 C ATOM 864 C GLU A 57 14.697 -8.980 -1.180 1.00 0.00 C ATOM 865 O GLU A 57 13.485 -8.808 -1.308 1.00 0.00 O ATOM 866 CB GLU A 57 15.720 -7.771 0.757 1.00 0.00 C ATOM 867 CG GLU A 57 17.050 -7.238 1.262 1.00 0.00 C ATOM 868 CD GLU A 57 18.233 -8.022 0.729 1.00 0.00 C ATOM 869 OE1 GLU A 57 18.588 -9.050 1.342 1.00 0.00 O ATOM 870 OE2 GLU A 57 18.805 -7.607 -0.301 1.00 0.00 O ATOM 0 H GLU A 57 14.318 -6.209 -0.872 1.00 0.00 H new ATOM 0 HA GLU A 57 16.619 -8.042 -1.176 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.918 -7.135 1.131 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.557 -8.767 1.170 1.00 0.00 H new ATOM 0 HG2 GLU A 57 17.152 -6.192 0.972 1.00 0.00 H new ATOM 0 HG3 GLU A 57 17.059 -7.269 2.352 1.00 0.00 H new ATOM 877 N PRO A 58 15.277 -10.171 -1.392 1.00 0.00 N ATOM 878 CA PRO A 58 14.518 -11.360 -1.792 1.00 0.00 C ATOM 879 C PRO A 58 13.627 -11.884 -0.671 1.00 0.00 C ATOM 880 O PRO A 58 13.803 -11.550 0.501 1.00 0.00 O ATOM 881 CB PRO A 58 15.609 -12.380 -2.129 1.00 0.00 C ATOM 882 CG PRO A 58 16.790 -11.949 -1.330 1.00 0.00 C ATOM 883 CD PRO A 58 16.717 -10.449 -1.259 1.00 0.00 C ATOM 0 HA PRO A 58 13.840 -11.151 -2.619 1.00 0.00 H new ATOM 0 HB2 PRO A 58 15.300 -13.392 -1.865 1.00 0.00 H new ATOM 0 HB3 PRO A 58 15.832 -12.383 -3.196 1.00 0.00 H new ATOM 0 HG2 PRO A 58 16.768 -12.388 -0.333 1.00 0.00 H new ATOM 0 HG3 PRO A 58 17.719 -12.273 -1.800 1.00 0.00 H new ATOM 0 HD2 PRO A 58 17.114 -10.072 -0.317 1.00 0.00 H new ATOM 0 HD3 PRO A 58 17.292 -9.980 -2.058 1.00 0.00 H new ATOM 891 N PRO A 59 12.648 -12.725 -1.035 1.00 0.00 N ATOM 892 CA PRO A 59 12.430 -13.130 -2.427 1.00 0.00 C ATOM 893 C PRO A 59 11.901 -11.987 -3.287 1.00 0.00 C ATOM 894 O PRO A 59 11.314 -11.033 -2.776 1.00 0.00 O ATOM 895 CB PRO A 59 11.384 -14.241 -2.314 1.00 0.00 C ATOM 896 CG PRO A 59 10.662 -13.953 -1.043 1.00 0.00 C ATOM 897 CD PRO A 59 11.679 -13.346 -0.117 1.00 0.00 C ATOM 0 HA PRO A 59 13.356 -13.444 -2.909 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.704 -14.233 -3.166 1.00 0.00 H new ATOM 0 HB3 PRO A 59 11.852 -15.225 -2.289 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.831 -13.268 -1.213 1.00 0.00 H new ATOM 0 HG3 PRO A 59 10.242 -14.864 -0.618 1.00 0.00 H new ATOM 0 HD2 PRO A 59 11.228 -12.610 0.549 1.00 0.00 H new ATOM 0 HD3 PRO A 59 12.149 -14.101 0.514 1.00 0.00 H new ATOM 905 N PHE A 60 12.113 -12.089 -4.595 1.00 0.00 N ATOM 906 CA PHE A 60 11.659 -11.063 -5.526 1.00 0.00 C ATOM 907 C PHE A 60 10.471 -11.559 -6.345 1.00 0.00 C ATOM 908 O PHE A 60 10.008 -12.686 -6.168 1.00 0.00 O ATOM 909 CB PHE A 60 12.798 -10.649 -6.459 1.00 0.00 C ATOM 910 CG PHE A 60 13.964 -10.029 -5.743 1.00 0.00 C ATOM 911 CD1 PHE A 60 14.985 -10.820 -5.239 1.00 0.00 C ATOM 912 CD2 PHE A 60 14.040 -8.656 -5.573 1.00 0.00 C ATOM 913 CE1 PHE A 60 16.059 -10.253 -4.580 1.00 0.00 C ATOM 914 CE2 PHE A 60 15.112 -8.084 -4.916 1.00 0.00 C ATOM 915 CZ PHE A 60 16.122 -8.883 -4.417 1.00 0.00 C ATOM 0 H PHE A 60 12.597 -12.872 -5.034 1.00 0.00 H new ATOM 0 HA PHE A 60 11.342 -10.197 -4.945 1.00 0.00 H new ATOM 0 HB2 PHE A 60 13.143 -11.525 -7.009 1.00 0.00 H new ATOM 0 HB3 PHE A 60 12.416 -9.941 -7.195 1.00 0.00 H new ATOM 0 HD1 PHE A 60 14.940 -11.892 -5.363 1.00 0.00 H new ATOM 0 HD2 PHE A 60 13.252 -8.026 -5.959 1.00 0.00 H new ATOM 0 HE1 PHE A 60 16.848 -10.880 -4.193 1.00 0.00 H new ATOM 0 HE2 PHE A 60 15.160 -7.012 -4.793 1.00 0.00 H new ATOM 0 HZ PHE A 60 16.959 -8.437 -3.900 1.00 0.00 H new ATOM 925 N GLY A 61 9.981 -10.709 -7.242 1.00 0.00 N ATOM 926 CA GLY A 61 8.851 -11.078 -8.074 1.00 0.00 C ATOM 927 C GLY A 61 7.554 -11.150 -7.293 1.00 0.00 C ATOM 928 O GLY A 61 6.718 -12.019 -7.543 1.00 0.00 O ATOM 0 H GLY A 61 10.347 -9.771 -7.407 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.746 -10.353 -8.881 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.046 -12.045 -8.538 1.00 0.00 H new ATOM 932 N ILE A 62 7.386 -10.236 -6.343 1.00 0.00 N ATOM 933 CA ILE A 62 6.182 -10.201 -5.522 1.00 0.00 C ATOM 934 C ILE A 62 5.430 -8.887 -5.706 1.00 0.00 C ATOM 935 O ILE A 62 4.220 -8.879 -5.938 1.00 0.00 O ATOM 936 CB ILE A 62 6.513 -10.385 -4.029 1.00 0.00 C ATOM 937 CG1 ILE A 62 7.252 -11.706 -3.807 1.00 0.00 C ATOM 938 CG2 ILE A 62 5.241 -10.337 -3.195 1.00 0.00 C ATOM 939 CD1 ILE A 62 7.691 -11.919 -2.375 1.00 0.00 C ATOM 0 H ILE A 62 8.068 -9.510 -6.123 1.00 0.00 H new ATOM 0 HA ILE A 62 5.552 -11.027 -5.850 1.00 0.00 H new ATOM 0 HB ILE A 62 7.163 -9.569 -3.713 1.00 0.00 H new ATOM 0 HG12 ILE A 62 6.604 -12.530 -4.106 1.00 0.00 H new ATOM 0 HG13 ILE A 62 8.128 -11.737 -4.455 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.491 -10.468 -2.142 1.00 0.00 H new ATOM 0 HG22 ILE A 62 4.751 -9.373 -3.334 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.569 -11.135 -3.511 1.00 0.00 H new ATOM 0 HD11 ILE A 62 8.208 -12.875 -2.291 1.00 0.00 H new ATOM 0 HD12 ILE A 62 8.364 -11.115 -2.077 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.817 -11.921 -1.723 1.00 0.00 H new ATOM 951 N PHE A 63 6.154 -7.778 -5.604 1.00 0.00 N ATOM 952 CA PHE A 63 5.555 -6.457 -5.761 1.00 0.00 C ATOM 953 C PHE A 63 6.208 -5.697 -6.911 1.00 0.00 C ATOM 954 O PHE A 63 7.433 -5.600 -6.990 1.00 0.00 O ATOM 955 CB PHE A 63 5.689 -5.656 -4.464 1.00 0.00 C ATOM 956 CG PHE A 63 5.402 -6.462 -3.229 1.00 0.00 C ATOM 957 CD1 PHE A 63 4.106 -6.846 -2.923 1.00 0.00 C ATOM 958 CD2 PHE A 63 6.427 -6.835 -2.376 1.00 0.00 C ATOM 959 CE1 PHE A 63 3.839 -7.586 -1.787 1.00 0.00 C ATOM 960 CE2 PHE A 63 6.166 -7.576 -1.238 1.00 0.00 C ATOM 961 CZ PHE A 63 4.870 -7.953 -0.944 1.00 0.00 C ATOM 0 H PHE A 63 7.156 -7.767 -5.413 1.00 0.00 H new ATOM 0 HA PHE A 63 4.498 -6.590 -5.991 1.00 0.00 H new ATOM 0 HB2 PHE A 63 6.700 -5.253 -4.398 1.00 0.00 H new ATOM 0 HB3 PHE A 63 5.008 -4.806 -4.500 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.296 -6.564 -3.579 1.00 0.00 H new ATOM 0 HD2 PHE A 63 7.442 -6.544 -2.602 1.00 0.00 H new ATOM 0 HE1 PHE A 63 2.825 -7.877 -1.558 1.00 0.00 H new ATOM 0 HE2 PHE A 63 6.974 -7.860 -0.580 1.00 0.00 H new ATOM 0 HZ PHE A 63 4.663 -8.533 -0.057 1.00 0.00 H new ATOM 971 N VAL A 64 5.381 -5.159 -7.802 1.00 0.00 N ATOM 972 CA VAL A 64 5.877 -4.407 -8.949 1.00 0.00 C ATOM 973 C VAL A 64 5.249 -3.019 -9.009 1.00 0.00 C ATOM 974 O VAL A 64 4.033 -2.870 -8.884 1.00 0.00 O ATOM 975 CB VAL A 64 5.591 -5.145 -10.270 1.00 0.00 C ATOM 976 CG1 VAL A 64 6.437 -6.405 -10.371 1.00 0.00 C ATOM 977 CG2 VAL A 64 4.111 -5.474 -10.387 1.00 0.00 C ATOM 0 H VAL A 64 4.365 -5.230 -7.752 1.00 0.00 H new ATOM 0 HA VAL A 64 6.955 -4.310 -8.822 1.00 0.00 H new ATOM 0 HB VAL A 64 5.859 -4.489 -11.098 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.222 -6.914 -11.311 1.00 0.00 H new ATOM 0 HG12 VAL A 64 7.493 -6.138 -10.337 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.203 -7.068 -9.538 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.927 -5.995 -11.326 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.813 -6.111 -9.554 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.530 -4.552 -10.364 1.00 0.00 H new ATOM 987 N PHE A 65 6.086 -2.005 -9.201 1.00 0.00 N ATOM 988 CA PHE A 65 5.613 -0.627 -9.277 1.00 0.00 C ATOM 989 C PHE A 65 6.229 0.094 -10.472 1.00 0.00 C ATOM 990 O PHE A 65 7.232 -0.350 -11.028 1.00 0.00 O ATOM 991 CB PHE A 65 5.949 0.122 -7.986 1.00 0.00 C ATOM 992 CG PHE A 65 7.404 0.473 -7.858 1.00 0.00 C ATOM 993 CD1 PHE A 65 7.920 1.587 -8.500 1.00 0.00 C ATOM 994 CD2 PHE A 65 8.256 -0.311 -7.097 1.00 0.00 C ATOM 995 CE1 PHE A 65 9.259 1.914 -8.385 1.00 0.00 C ATOM 996 CE2 PHE A 65 9.595 0.010 -6.978 1.00 0.00 C ATOM 997 CZ PHE A 65 10.097 1.123 -7.623 1.00 0.00 C ATOM 0 H PHE A 65 7.095 -2.111 -9.307 1.00 0.00 H new ATOM 0 HA PHE A 65 4.531 -0.647 -9.406 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.358 1.037 -7.941 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.655 -0.490 -7.133 1.00 0.00 H new ATOM 0 HD1 PHE A 65 7.269 2.208 -9.098 1.00 0.00 H new ATOM 0 HD2 PHE A 65 7.869 -1.183 -6.591 1.00 0.00 H new ATOM 0 HE1 PHE A 65 9.649 2.786 -8.890 1.00 0.00 H new ATOM 0 HE2 PHE A 65 10.248 -0.609 -6.381 1.00 0.00 H new ATOM 0 HZ PHE A 65 11.143 1.375 -7.532 1.00 0.00 H new ATOM 1007 N ASN A 66 5.619 1.209 -10.861 1.00 0.00 N ATOM 1008 CA ASN A 66 6.106 1.992 -11.991 1.00 0.00 C ATOM 1009 C ASN A 66 6.414 3.425 -11.568 1.00 0.00 C ATOM 1010 O ASN A 66 6.253 3.788 -10.402 1.00 0.00 O ATOM 1011 CB ASN A 66 5.074 1.993 -13.121 1.00 0.00 C ATOM 1012 CG ASN A 66 5.223 0.798 -14.042 1.00 0.00 C ATOM 1013 OD1 ASN A 66 6.326 0.475 -14.484 1.00 0.00 O ATOM 1014 ND2 ASN A 66 4.111 0.135 -14.336 1.00 0.00 N ATOM 0 H ASN A 66 4.787 1.590 -10.411 1.00 0.00 H new ATOM 0 HA ASN A 66 7.027 1.532 -12.349 1.00 0.00 H new ATOM 0 HB2 ASN A 66 4.071 1.996 -12.693 1.00 0.00 H new ATOM 0 HB3 ASN A 66 5.176 2.910 -13.701 1.00 0.00 H new ATOM 0 HD21 ASN A 66 4.149 -0.678 -14.951 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.218 0.438 -13.947 1.00 0.00 H new ATOM 1021 N LYS A 67 6.857 4.236 -12.522 1.00 0.00 N ATOM 1022 CA LYS A 67 7.187 5.630 -12.250 1.00 0.00 C ATOM 1023 C LYS A 67 6.096 6.559 -12.774 1.00 0.00 C ATOM 1024 O LYS A 67 5.726 7.531 -12.115 1.00 0.00 O ATOM 1025 CB LYS A 67 8.529 5.992 -12.889 1.00 0.00 C ATOM 1026 CG LYS A 67 8.632 7.450 -13.305 1.00 0.00 C ATOM 1027 CD LYS A 67 10.063 7.954 -13.221 1.00 0.00 C ATOM 1028 CE LYS A 67 10.821 7.694 -14.514 1.00 0.00 C ATOM 1029 NZ LYS A 67 12.295 7.682 -14.299 1.00 0.00 N ATOM 0 H LYS A 67 6.996 3.952 -13.492 1.00 0.00 H new ATOM 0 HA LYS A 67 7.260 5.756 -11.170 1.00 0.00 H new ATOM 0 HB2 LYS A 67 9.330 5.767 -12.185 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.687 5.361 -13.764 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.264 7.565 -14.324 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.993 8.058 -12.665 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.062 9.023 -13.007 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.575 7.464 -12.393 1.00 0.00 H new ATOM 0 HE2 LYS A 67 10.507 6.738 -14.933 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.567 8.462 -15.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.776 7.502 -15.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.598 8.603 -13.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 12.541 6.933 -13.621 1.00 0.00 H new ATOM 1043 N ASP A 68 5.583 6.252 -13.960 1.00 0.00 N ATOM 1044 CA ASP A 68 4.532 7.058 -14.571 1.00 0.00 C ATOM 1045 C ASP A 68 3.256 7.008 -13.737 1.00 0.00 C ATOM 1046 O ASP A 68 2.856 8.004 -13.133 1.00 0.00 O ATOM 1047 CB ASP A 68 4.247 6.571 -15.992 1.00 0.00 C ATOM 1048 CG ASP A 68 5.505 6.469 -16.832 1.00 0.00 C ATOM 1049 OD1 ASP A 68 6.169 5.412 -16.782 1.00 0.00 O ATOM 1050 OD2 ASP A 68 5.826 7.446 -17.541 1.00 0.00 O ATOM 0 H ASP A 68 5.878 5.451 -14.518 1.00 0.00 H new ATOM 0 HA ASP A 68 4.878 8.091 -14.612 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.763 5.596 -15.948 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.547 7.253 -16.473 1.00 0.00 H new ATOM 1055 N THR A 69 2.618 5.842 -13.710 1.00 0.00 N ATOM 1056 CA THR A 69 1.386 5.662 -12.953 1.00 0.00 C ATOM 1057 C THR A 69 1.666 5.581 -11.456 1.00 0.00 C ATOM 1058 O THR A 69 0.976 6.204 -10.651 1.00 0.00 O ATOM 1059 CB THR A 69 0.637 4.390 -13.392 1.00 0.00 C ATOM 1060 OG1 THR A 69 -0.585 4.262 -12.657 1.00 0.00 O ATOM 1061 CG2 THR A 69 1.496 3.154 -13.177 1.00 0.00 C ATOM 0 H THR A 69 2.935 5.008 -14.204 1.00 0.00 H new ATOM 0 HA THR A 69 0.761 6.532 -13.157 1.00 0.00 H new ATOM 0 HB THR A 69 0.413 4.476 -14.455 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.056 3.452 -12.943 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.945 2.268 -13.494 1.00 0.00 H new ATOM 0 HG22 THR A 69 2.412 3.241 -13.762 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.748 3.065 -12.120 1.00 0.00 H new ATOM 1069 N GLY A 70 2.686 4.810 -11.091 1.00 0.00 N ATOM 1070 CA GLY A 70 3.040 4.662 -9.691 1.00 0.00 C ATOM 1071 C GLY A 70 2.244 3.570 -9.004 1.00 0.00 C ATOM 1072 O GLY A 70 2.687 3.009 -8.002 1.00 0.00 O ATOM 0 H GLY A 70 3.273 4.285 -11.739 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.104 4.438 -9.610 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.874 5.608 -9.175 1.00 0.00 H new ATOM 1076 N GLU A 71 1.067 3.270 -9.543 1.00 0.00 N ATOM 1077 CA GLU A 71 0.207 2.239 -8.972 1.00 0.00 C ATOM 1078 C GLU A 71 1.015 0.997 -8.608 1.00 0.00 C ATOM 1079 O GLU A 71 2.043 0.708 -9.223 1.00 0.00 O ATOM 1080 CB GLU A 71 -0.904 1.868 -9.956 1.00 0.00 C ATOM 1081 CG GLU A 71 -2.196 1.439 -9.281 1.00 0.00 C ATOM 1082 CD GLU A 71 -3.139 2.601 -9.033 1.00 0.00 C ATOM 1083 OE1 GLU A 71 -3.882 2.971 -9.966 1.00 0.00 O ATOM 1084 OE2 GLU A 71 -3.132 3.141 -7.907 1.00 0.00 O ATOM 0 H GLU A 71 0.687 3.725 -10.373 1.00 0.00 H new ATOM 0 HA GLU A 71 -0.242 2.639 -8.063 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.107 2.723 -10.601 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.554 1.060 -10.599 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -2.697 0.696 -9.902 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -1.963 0.956 -8.332 1.00 0.00 H new ATOM 1091 N LEU A 72 0.544 0.265 -7.605 1.00 0.00 N ATOM 1092 CA LEU A 72 1.222 -0.947 -7.157 1.00 0.00 C ATOM 1093 C LEU A 72 0.314 -2.164 -7.303 1.00 0.00 C ATOM 1094 O LEU A 72 -0.908 -2.037 -7.346 1.00 0.00 O ATOM 1095 CB LEU A 72 1.666 -0.799 -5.701 1.00 0.00 C ATOM 1096 CG LEU A 72 2.523 -1.935 -5.141 1.00 0.00 C ATOM 1097 CD1 LEU A 72 3.911 -1.914 -5.762 1.00 0.00 C ATOM 1098 CD2 LEU A 72 2.613 -1.838 -3.625 1.00 0.00 C ATOM 0 H LEU A 72 -0.305 0.489 -7.086 1.00 0.00 H new ATOM 0 HA LEU A 72 2.101 -1.095 -7.784 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.225 0.132 -5.606 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.776 -0.702 -5.079 1.00 0.00 H new ATOM 0 HG LEU A 72 2.048 -2.882 -5.397 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.506 -2.730 -5.351 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.828 -2.034 -6.842 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.395 -0.963 -5.539 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.227 -2.654 -3.244 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.064 -0.885 -3.347 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.613 -1.905 -3.196 1.00 0.00 H new ATOM 1110 N ASN A 73 0.922 -3.344 -7.375 1.00 0.00 N ATOM 1111 CA ASN A 73 0.168 -4.585 -7.513 1.00 0.00 C ATOM 1112 C ASN A 73 0.972 -5.771 -6.991 1.00 0.00 C ATOM 1113 O ASN A 73 2.176 -5.663 -6.755 1.00 0.00 O ATOM 1114 CB ASN A 73 -0.210 -4.816 -8.978 1.00 0.00 C ATOM 1115 CG ASN A 73 -0.587 -3.529 -9.687 1.00 0.00 C ATOM 1116 OD1 ASN A 73 -1.758 -3.155 -9.736 1.00 0.00 O ATOM 1117 ND2 ASN A 73 0.408 -2.847 -10.242 1.00 0.00 N ATOM 0 H ASN A 73 1.934 -3.467 -7.340 1.00 0.00 H new ATOM 0 HA ASN A 73 -0.742 -4.496 -6.919 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.627 -5.282 -9.497 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.045 -5.514 -9.029 1.00 0.00 H new ATOM 0 HD21 ASN A 73 0.216 -1.974 -10.734 1.00 0.00 H new ATOM 0 HD22 ASN A 73 1.364 -3.196 -10.176 1.00 0.00 H new ATOM 1124 N VAL A 74 0.299 -6.903 -6.813 1.00 0.00 N ATOM 1125 CA VAL A 74 0.951 -8.111 -6.320 1.00 0.00 C ATOM 1126 C VAL A 74 0.947 -9.208 -7.378 1.00 0.00 C ATOM 1127 O VAL A 74 -0.095 -9.533 -7.949 1.00 0.00 O ATOM 1128 CB VAL A 74 0.264 -8.639 -5.046 1.00 0.00 C ATOM 1129 CG1 VAL A 74 -1.103 -9.217 -5.376 1.00 0.00 C ATOM 1130 CG2 VAL A 74 1.140 -9.677 -4.361 1.00 0.00 C ATOM 0 H VAL A 74 -0.698 -7.009 -7.003 1.00 0.00 H new ATOM 0 HA VAL A 74 1.980 -7.842 -6.084 1.00 0.00 H new ATOM 0 HB VAL A 74 0.122 -7.805 -4.358 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.572 -9.585 -4.464 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.728 -8.442 -5.819 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.989 -10.039 -6.082 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.640 -10.040 -3.463 1.00 0.00 H new ATOM 0 HG22 VAL A 74 1.315 -10.511 -5.041 1.00 0.00 H new ATOM 0 HG23 VAL A 74 2.094 -9.225 -4.088 1.00 0.00 H new ATOM 1140 N THR A 75 2.120 -9.778 -7.636 1.00 0.00 N ATOM 1141 CA THR A 75 2.253 -10.839 -8.626 1.00 0.00 C ATOM 1142 C THR A 75 2.816 -12.109 -7.999 1.00 0.00 C ATOM 1143 O THR A 75 3.645 -12.794 -8.599 1.00 0.00 O ATOM 1144 CB THR A 75 3.163 -10.409 -9.792 1.00 0.00 C ATOM 1145 OG1 THR A 75 4.495 -10.186 -9.318 1.00 0.00 O ATOM 1146 CG2 THR A 75 2.636 -9.143 -10.451 1.00 0.00 C ATOM 0 H THR A 75 2.992 -9.522 -7.173 1.00 0.00 H new ATOM 0 HA THR A 75 1.253 -11.039 -9.010 1.00 0.00 H new ATOM 0 HB THR A 75 3.170 -11.209 -10.532 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.067 -9.915 -10.066 1.00 0.00 H new ATOM 0 HG21 THR A 75 3.295 -8.859 -11.271 1.00 0.00 H new ATOM 0 HG22 THR A 75 1.633 -9.324 -10.837 1.00 0.00 H new ATOM 0 HG23 THR A 75 2.602 -8.338 -9.717 1.00 0.00 H new ATOM 1154 N SER A 76 2.360 -12.419 -6.789 1.00 0.00 N ATOM 1155 CA SER A 76 2.822 -13.606 -6.080 1.00 0.00 C ATOM 1156 C SER A 76 1.799 -14.048 -5.038 1.00 0.00 C ATOM 1157 O SER A 76 0.811 -13.356 -4.790 1.00 0.00 O ATOM 1158 CB SER A 76 4.167 -13.332 -5.405 1.00 0.00 C ATOM 1159 OG SER A 76 5.243 -13.568 -6.297 1.00 0.00 O ATOM 0 H SER A 76 1.672 -11.865 -6.280 1.00 0.00 H new ATOM 0 HA SER A 76 2.945 -14.408 -6.807 1.00 0.00 H new ATOM 0 HB2 SER A 76 4.199 -12.300 -5.057 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.273 -13.968 -4.526 1.00 0.00 H new ATOM 0 HG SER A 76 5.292 -12.839 -6.950 1.00 0.00 H new ATOM 1165 N ILE A 77 2.042 -15.205 -4.432 1.00 0.00 N ATOM 1166 CA ILE A 77 1.144 -15.740 -3.417 1.00 0.00 C ATOM 1167 C ILE A 77 1.736 -15.583 -2.021 1.00 0.00 C ATOM 1168 O ILE A 77 2.556 -16.393 -1.588 1.00 0.00 O ATOM 1169 CB ILE A 77 0.833 -17.227 -3.667 1.00 0.00 C ATOM 1170 CG1 ILE A 77 0.201 -17.414 -5.047 1.00 0.00 C ATOM 1171 CG2 ILE A 77 -0.085 -17.767 -2.580 1.00 0.00 C ATOM 1172 CD1 ILE A 77 1.214 -17.586 -6.158 1.00 0.00 C ATOM 0 H ILE A 77 2.854 -15.790 -4.627 1.00 0.00 H new ATOM 0 HA ILE A 77 0.218 -15.168 -3.482 1.00 0.00 H new ATOM 0 HB ILE A 77 1.767 -17.788 -3.638 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -0.452 -18.287 -5.023 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.427 -16.552 -5.270 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -0.295 -18.819 -2.771 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.401 -17.664 -1.610 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.019 -17.205 -2.580 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.694 -17.714 -7.108 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.852 -16.703 -6.209 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.827 -18.465 -5.959 1.00 0.00 H new ATOM 1184 N LEU A 78 1.314 -14.537 -1.319 1.00 0.00 N ATOM 1185 CA LEU A 78 1.802 -14.274 0.030 1.00 0.00 C ATOM 1186 C LEU A 78 1.942 -15.570 0.821 1.00 0.00 C ATOM 1187 O LEU A 78 1.069 -16.437 0.772 1.00 0.00 O ATOM 1188 CB LEU A 78 0.854 -13.319 0.759 1.00 0.00 C ATOM 1189 CG LEU A 78 0.427 -12.073 -0.018 1.00 0.00 C ATOM 1190 CD1 LEU A 78 -0.507 -11.215 0.820 1.00 0.00 C ATOM 1191 CD2 LEU A 78 1.646 -11.272 -0.452 1.00 0.00 C ATOM 0 H LEU A 78 0.635 -13.857 -1.662 1.00 0.00 H new ATOM 0 HA LEU A 78 2.785 -13.811 -0.050 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.042 -13.873 1.039 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.334 -12.999 1.684 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.110 -12.391 -0.911 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.800 -10.333 0.250 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.395 -11.791 1.080 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.004 -10.905 1.732 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.324 -10.389 -1.004 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.211 -10.964 0.428 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.278 -11.889 -1.091 1.00 0.00 H new ATOM 1203 N ASP A 79 3.045 -15.696 1.550 1.00 0.00 N ATOM 1204 CA ASP A 79 3.299 -16.886 2.354 1.00 0.00 C ATOM 1205 C ASP A 79 3.600 -16.509 3.802 1.00 0.00 C ATOM 1206 O ASP A 79 4.759 -16.347 4.184 1.00 0.00 O ATOM 1207 CB ASP A 79 4.466 -17.684 1.769 1.00 0.00 C ATOM 1208 CG ASP A 79 4.042 -18.561 0.608 1.00 0.00 C ATOM 1209 OD1 ASP A 79 3.428 -19.620 0.857 1.00 0.00 O ATOM 1210 OD2 ASP A 79 4.323 -18.189 -0.550 1.00 0.00 O ATOM 0 H ASP A 79 3.778 -14.989 1.601 1.00 0.00 H new ATOM 0 HA ASP A 79 2.402 -17.504 2.337 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.243 -16.995 1.436 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.905 -18.306 2.549 1.00 0.00 H new ATOM 1215 N ARG A 80 2.548 -16.371 4.602 1.00 0.00 N ATOM 1216 CA ARG A 80 2.699 -16.011 6.007 1.00 0.00 C ATOM 1217 C ARG A 80 3.772 -16.866 6.675 1.00 0.00 C ATOM 1218 O ARG A 80 4.627 -16.354 7.397 1.00 0.00 O ATOM 1219 CB ARG A 80 1.369 -16.177 6.744 1.00 0.00 C ATOM 1220 CG ARG A 80 1.338 -15.499 8.104 1.00 0.00 C ATOM 1221 CD ARG A 80 0.327 -16.157 9.031 1.00 0.00 C ATOM 1222 NE ARG A 80 0.550 -15.795 10.428 1.00 0.00 N ATOM 1223 CZ ARG A 80 -0.125 -16.327 11.442 1.00 0.00 C ATOM 1224 NH1 ARG A 80 -1.059 -17.240 11.214 1.00 0.00 N ATOM 1225 NH2 ARG A 80 0.135 -15.946 12.686 1.00 0.00 N ATOM 0 H ARG A 80 1.582 -16.503 4.302 1.00 0.00 H new ATOM 0 HA ARG A 80 3.007 -14.967 6.057 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.568 -15.771 6.127 1.00 0.00 H new ATOM 0 HB3 ARG A 80 1.165 -17.240 6.873 1.00 0.00 H new ATOM 0 HG2 ARG A 80 2.329 -15.541 8.556 1.00 0.00 H new ATOM 0 HG3 ARG A 80 1.089 -14.445 7.981 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -0.680 -15.863 8.736 1.00 0.00 H new ATOM 0 HD3 ARG A 80 0.387 -17.240 8.923 1.00 0.00 H new ATOM 0 HE ARG A 80 1.263 -15.096 10.637 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -1.261 -17.536 10.259 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -1.576 -17.647 11.994 1.00 0.00 H new ATOM 0 HH21 ARG A 80 0.853 -15.244 12.865 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -0.383 -16.355 13.463 1.00 0.00 H new ATOM 1239 N GLU A 81 3.720 -18.172 6.429 1.00 0.00 N ATOM 1240 CA GLU A 81 4.686 -19.097 7.007 1.00 0.00 C ATOM 1241 C GLU A 81 6.103 -18.541 6.900 1.00 0.00 C ATOM 1242 O GLU A 81 6.925 -18.731 7.797 1.00 0.00 O ATOM 1243 CB GLU A 81 4.606 -20.456 6.310 1.00 0.00 C ATOM 1244 CG GLU A 81 4.819 -20.383 4.807 1.00 0.00 C ATOM 1245 CD GLU A 81 4.709 -21.738 4.135 1.00 0.00 C ATOM 1246 OE1 GLU A 81 3.894 -22.563 4.596 1.00 0.00 O ATOM 1247 OE2 GLU A 81 5.438 -21.972 3.149 1.00 0.00 O ATOM 0 H GLU A 81 3.019 -18.612 5.833 1.00 0.00 H new ATOM 0 HA GLU A 81 4.442 -19.224 8.062 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.353 -21.121 6.742 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.631 -20.900 6.509 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.084 -19.705 4.372 1.00 0.00 H new ATOM 0 HG3 GLU A 81 5.803 -19.960 4.603 1.00 0.00 H new ATOM 1254 N GLU A 82 6.382 -17.855 5.796 1.00 0.00 N ATOM 1255 CA GLU A 82 7.699 -17.273 5.571 1.00 0.00 C ATOM 1256 C GLU A 82 7.677 -15.766 5.812 1.00 0.00 C ATOM 1257 O GLU A 82 8.356 -15.258 6.705 1.00 0.00 O ATOM 1258 CB GLU A 82 8.174 -17.565 4.146 1.00 0.00 C ATOM 1259 CG GLU A 82 9.661 -17.330 3.939 1.00 0.00 C ATOM 1260 CD GLU A 82 10.520 -18.305 4.721 1.00 0.00 C ATOM 1261 OE1 GLU A 82 10.095 -19.467 4.892 1.00 0.00 O ATOM 1262 OE2 GLU A 82 11.618 -17.906 5.162 1.00 0.00 O ATOM 0 H GLU A 82 5.713 -17.689 5.044 1.00 0.00 H new ATOM 0 HA GLU A 82 8.393 -17.727 6.278 1.00 0.00 H new ATOM 0 HB2 GLU A 82 7.941 -18.601 3.900 1.00 0.00 H new ATOM 0 HB3 GLU A 82 7.616 -16.938 3.450 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.894 -17.416 2.878 1.00 0.00 H new ATOM 0 HG3 GLU A 82 9.909 -16.312 4.238 1.00 0.00 H new ATOM 1269 N THR A 83 6.892 -15.056 5.008 1.00 0.00 N ATOM 1270 CA THR A 83 6.781 -13.608 5.132 1.00 0.00 C ATOM 1271 C THR A 83 5.446 -13.209 5.749 1.00 0.00 C ATOM 1272 O THR A 83 4.467 -12.942 5.052 1.00 0.00 O ATOM 1273 CB THR A 83 6.929 -12.914 3.764 1.00 0.00 C ATOM 1274 OG1 THR A 83 5.930 -13.397 2.859 1.00 0.00 O ATOM 1275 CG2 THR A 83 8.312 -13.161 3.179 1.00 0.00 C ATOM 0 H THR A 83 6.324 -15.460 4.264 1.00 0.00 H new ATOM 0 HA THR A 83 7.591 -13.284 5.786 1.00 0.00 H new ATOM 0 HB THR A 83 6.799 -11.842 3.909 1.00 0.00 H new ATOM 0 HG1 THR A 83 5.474 -12.638 2.440 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.393 -12.662 2.214 1.00 0.00 H new ATOM 0 HG22 THR A 83 9.069 -12.766 3.856 1.00 0.00 H new ATOM 0 HG23 THR A 83 8.465 -14.232 3.047 1.00 0.00 H new ATOM 1283 N PRO A 84 5.402 -13.165 7.089 1.00 0.00 N ATOM 1284 CA PRO A 84 4.192 -12.798 7.830 1.00 0.00 C ATOM 1285 C PRO A 84 3.841 -11.322 7.673 1.00 0.00 C ATOM 1286 O PRO A 84 2.714 -10.909 7.945 1.00 0.00 O ATOM 1287 CB PRO A 84 4.558 -13.109 9.283 1.00 0.00 C ATOM 1288 CG PRO A 84 6.043 -13.009 9.329 1.00 0.00 C ATOM 1289 CD PRO A 84 6.531 -13.470 7.984 1.00 0.00 C ATOM 0 HA PRO A 84 3.315 -13.338 7.472 1.00 0.00 H new ATOM 0 HB2 PRO A 84 4.092 -12.401 9.969 1.00 0.00 H new ATOM 0 HB3 PRO A 84 4.219 -14.104 9.572 1.00 0.00 H new ATOM 0 HG2 PRO A 84 6.359 -11.985 9.529 1.00 0.00 H new ATOM 0 HG3 PRO A 84 6.451 -13.630 10.126 1.00 0.00 H new ATOM 0 HD2 PRO A 84 7.436 -12.943 7.683 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.767 -14.534 7.985 1.00 0.00 H new ATOM 1297 N PHE A 85 4.814 -10.532 7.231 1.00 0.00 N ATOM 1298 CA PHE A 85 4.607 -9.101 7.038 1.00 0.00 C ATOM 1299 C PHE A 85 5.623 -8.533 6.050 1.00 0.00 C ATOM 1300 O PHE A 85 6.742 -9.034 5.937 1.00 0.00 O ATOM 1301 CB PHE A 85 4.713 -8.364 8.374 1.00 0.00 C ATOM 1302 CG PHE A 85 5.936 -8.729 9.166 1.00 0.00 C ATOM 1303 CD1 PHE A 85 7.171 -8.187 8.847 1.00 0.00 C ATOM 1304 CD2 PHE A 85 5.851 -9.615 10.228 1.00 0.00 C ATOM 1305 CE1 PHE A 85 8.298 -8.521 9.573 1.00 0.00 C ATOM 1306 CE2 PHE A 85 6.975 -9.952 10.958 1.00 0.00 C ATOM 1307 CZ PHE A 85 8.201 -9.405 10.629 1.00 0.00 C ATOM 0 H PHE A 85 5.753 -10.858 7.000 1.00 0.00 H new ATOM 0 HA PHE A 85 3.607 -8.956 6.629 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.718 -7.290 8.188 1.00 0.00 H new ATOM 0 HB3 PHE A 85 3.826 -8.580 8.970 1.00 0.00 H new ATOM 0 HD1 PHE A 85 7.253 -7.496 8.021 1.00 0.00 H new ATOM 0 HD2 PHE A 85 4.896 -10.047 10.488 1.00 0.00 H new ATOM 0 HE1 PHE A 85 9.254 -8.091 9.315 1.00 0.00 H new ATOM 0 HE2 PHE A 85 6.896 -10.642 11.785 1.00 0.00 H new ATOM 0 HZ PHE A 85 9.081 -9.669 11.197 1.00 0.00 H new ATOM 1317 N PHE A 86 5.223 -7.486 5.337 1.00 0.00 N ATOM 1318 CA PHE A 86 6.097 -6.850 4.357 1.00 0.00 C ATOM 1319 C PHE A 86 6.296 -5.373 4.683 1.00 0.00 C ATOM 1320 O PHE A 86 5.512 -4.521 4.264 1.00 0.00 O ATOM 1321 CB PHE A 86 5.513 -6.999 2.950 1.00 0.00 C ATOM 1322 CG PHE A 86 5.679 -8.376 2.375 1.00 0.00 C ATOM 1323 CD1 PHE A 86 6.915 -8.807 1.920 1.00 0.00 C ATOM 1324 CD2 PHE A 86 4.600 -9.240 2.288 1.00 0.00 C ATOM 1325 CE1 PHE A 86 7.072 -10.074 1.390 1.00 0.00 C ATOM 1326 CE2 PHE A 86 4.750 -10.508 1.760 1.00 0.00 C ATOM 1327 CZ PHE A 86 5.987 -10.925 1.309 1.00 0.00 C ATOM 0 H PHE A 86 4.300 -7.060 5.419 1.00 0.00 H new ATOM 0 HA PHE A 86 7.067 -7.346 4.396 1.00 0.00 H new ATOM 0 HB2 PHE A 86 4.452 -6.751 2.978 1.00 0.00 H new ATOM 0 HB3 PHE A 86 5.992 -6.277 2.288 1.00 0.00 H new ATOM 0 HD1 PHE A 86 7.766 -8.145 1.980 1.00 0.00 H new ATOM 0 HD2 PHE A 86 3.630 -8.919 2.637 1.00 0.00 H new ATOM 0 HE1 PHE A 86 8.041 -10.398 1.040 1.00 0.00 H new ATOM 0 HE2 PHE A 86 3.901 -11.172 1.700 1.00 0.00 H new ATOM 0 HZ PHE A 86 6.106 -11.915 0.894 1.00 0.00 H new ATOM 1337 N LEU A 87 7.351 -5.077 5.435 1.00 0.00 N ATOM 1338 CA LEU A 87 7.655 -3.703 5.819 1.00 0.00 C ATOM 1339 C LEU A 87 8.314 -2.949 4.668 1.00 0.00 C ATOM 1340 O LEU A 87 9.493 -3.150 4.374 1.00 0.00 O ATOM 1341 CB LEU A 87 8.570 -3.686 7.045 1.00 0.00 C ATOM 1342 CG LEU A 87 7.910 -4.032 8.380 1.00 0.00 C ATOM 1343 CD1 LEU A 87 8.947 -4.082 9.491 1.00 0.00 C ATOM 1344 CD2 LEU A 87 6.819 -3.024 8.712 1.00 0.00 C ATOM 0 H LEU A 87 8.010 -5.770 5.791 1.00 0.00 H new ATOM 0 HA LEU A 87 6.717 -3.205 6.066 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.387 -4.387 6.874 1.00 0.00 H new ATOM 0 HB3 LEU A 87 9.014 -2.694 7.128 1.00 0.00 H new ATOM 0 HG LEU A 87 7.453 -5.018 8.293 1.00 0.00 H new ATOM 0 HD11 LEU A 87 8.459 -4.330 10.434 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.693 -4.842 9.258 1.00 0.00 H new ATOM 0 HD13 LEU A 87 9.433 -3.111 9.579 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.360 -3.286 9.665 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.254 -2.027 8.780 1.00 0.00 H new ATOM 0 HD23 LEU A 87 6.061 -3.037 7.929 1.00 0.00 H new ATOM 1356 N LEU A 88 7.545 -2.079 4.022 1.00 0.00 N ATOM 1357 CA LEU A 88 8.054 -1.292 2.904 1.00 0.00 C ATOM 1358 C LEU A 88 8.066 0.195 3.246 1.00 0.00 C ATOM 1359 O LEU A 88 7.550 0.609 4.284 1.00 0.00 O ATOM 1360 CB LEU A 88 7.204 -1.534 1.656 1.00 0.00 C ATOM 1361 CG LEU A 88 6.911 -2.995 1.316 1.00 0.00 C ATOM 1362 CD1 LEU A 88 5.961 -3.088 0.132 1.00 0.00 C ATOM 1363 CD2 LEU A 88 8.203 -3.745 1.026 1.00 0.00 C ATOM 0 H LEU A 88 6.568 -1.901 4.253 1.00 0.00 H new ATOM 0 HA LEU A 88 9.078 -1.608 2.705 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.254 -1.014 1.781 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.708 -1.078 0.804 1.00 0.00 H new ATOM 0 HG LEU A 88 6.431 -3.459 2.178 1.00 0.00 H new ATOM 0 HD11 LEU A 88 5.764 -4.136 -0.095 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.024 -2.588 0.377 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.413 -2.607 -0.736 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.975 -4.783 0.786 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.712 -3.281 0.181 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.849 -3.709 1.903 1.00 0.00 H new ATOM 1375 N THR A 89 8.656 0.995 2.363 1.00 0.00 N ATOM 1376 CA THR A 89 8.733 2.435 2.570 1.00 0.00 C ATOM 1377 C THR A 89 8.448 3.193 1.278 1.00 0.00 C ATOM 1378 O THR A 89 9.105 2.975 0.261 1.00 0.00 O ATOM 1379 CB THR A 89 10.118 2.853 3.101 1.00 0.00 C ATOM 1380 OG1 THR A 89 10.479 2.037 4.221 1.00 0.00 O ATOM 1381 CG2 THR A 89 10.120 4.317 3.513 1.00 0.00 C ATOM 0 H THR A 89 9.087 0.669 1.498 1.00 0.00 H new ATOM 0 HA THR A 89 7.975 2.688 3.312 1.00 0.00 H new ATOM 0 HB THR A 89 10.846 2.716 2.302 1.00 0.00 H new ATOM 0 HG1 THR A 89 11.361 2.307 4.552 1.00 0.00 H new ATOM 0 HG21 THR A 89 11.108 4.589 3.884 1.00 0.00 H new ATOM 0 HG22 THR A 89 9.873 4.938 2.652 1.00 0.00 H new ATOM 0 HG23 THR A 89 9.381 4.475 4.298 1.00 0.00 H new ATOM 1389 N GLY A 90 7.463 4.085 1.325 1.00 0.00 N ATOM 1390 CA GLY A 90 7.109 4.861 0.151 1.00 0.00 C ATOM 1391 C GLY A 90 7.756 6.232 0.146 1.00 0.00 C ATOM 1392 O GLY A 90 7.783 6.917 1.169 1.00 0.00 O ATOM 0 H GLY A 90 6.904 4.284 2.155 1.00 0.00 H new ATOM 0 HA2 GLY A 90 7.410 4.317 -0.745 1.00 0.00 H new ATOM 0 HA3 GLY A 90 6.026 4.974 0.107 1.00 0.00 H new ATOM 1396 N TYR A 91 8.279 6.633 -1.007 1.00 0.00 N ATOM 1397 CA TYR A 91 8.933 7.929 -1.140 1.00 0.00 C ATOM 1398 C TYR A 91 8.238 8.784 -2.196 1.00 0.00 C ATOM 1399 O TYR A 91 7.664 8.264 -3.152 1.00 0.00 O ATOM 1400 CB TYR A 91 10.407 7.746 -1.505 1.00 0.00 C ATOM 1401 CG TYR A 91 11.189 6.953 -0.482 1.00 0.00 C ATOM 1402 CD1 TYR A 91 11.087 5.569 -0.420 1.00 0.00 C ATOM 1403 CD2 TYR A 91 12.033 7.589 0.421 1.00 0.00 C ATOM 1404 CE1 TYR A 91 11.799 4.841 0.513 1.00 0.00 C ATOM 1405 CE2 TYR A 91 12.750 6.869 1.356 1.00 0.00 C ATOM 1406 CZ TYR A 91 12.630 5.496 1.399 1.00 0.00 C ATOM 1407 OH TYR A 91 13.343 4.774 2.329 1.00 0.00 O ATOM 0 H TYR A 91 8.263 6.079 -1.863 1.00 0.00 H new ATOM 0 HA TYR A 91 8.865 8.442 -0.181 1.00 0.00 H new ATOM 0 HB2 TYR A 91 10.474 7.244 -2.470 1.00 0.00 H new ATOM 0 HB3 TYR A 91 10.868 8.727 -1.623 1.00 0.00 H new ATOM 0 HD1 TYR A 91 10.440 5.053 -1.114 1.00 0.00 H new ATOM 0 HD2 TYR A 91 12.130 8.664 0.391 1.00 0.00 H new ATOM 0 HE1 TYR A 91 11.706 3.766 0.549 1.00 0.00 H new ATOM 0 HE2 TYR A 91 13.402 7.379 2.050 1.00 0.00 H new ATOM 0 HH TYR A 91 13.880 5.385 2.875 1.00 0.00 H new ATOM 1417 N ALA A 92 8.296 10.099 -2.015 1.00 0.00 N ATOM 1418 CA ALA A 92 7.676 11.028 -2.952 1.00 0.00 C ATOM 1419 C ALA A 92 8.704 11.997 -3.526 1.00 0.00 C ATOM 1420 O ALA A 92 8.902 13.092 -2.998 1.00 0.00 O ATOM 1421 CB ALA A 92 6.550 11.791 -2.272 1.00 0.00 C ATOM 0 H ALA A 92 8.766 10.545 -1.228 1.00 0.00 H new ATOM 0 HA ALA A 92 7.261 10.450 -3.777 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.096 12.481 -2.984 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.796 11.088 -1.917 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.949 12.352 -1.427 1.00 0.00 H new ATOM 1427 N LEU A 93 9.356 11.588 -4.609 1.00 0.00 N ATOM 1428 CA LEU A 93 10.365 12.421 -5.254 1.00 0.00 C ATOM 1429 C LEU A 93 9.721 13.394 -6.236 1.00 0.00 C ATOM 1430 O LEU A 93 8.787 13.039 -6.955 1.00 0.00 O ATOM 1431 CB LEU A 93 11.387 11.546 -5.982 1.00 0.00 C ATOM 1432 CG LEU A 93 12.031 10.434 -5.153 1.00 0.00 C ATOM 1433 CD1 LEU A 93 12.866 9.523 -6.039 1.00 0.00 C ATOM 1434 CD2 LEU A 93 12.883 11.025 -4.039 1.00 0.00 C ATOM 0 H LEU A 93 9.204 10.685 -5.059 1.00 0.00 H new ATOM 0 HA LEU A 93 10.874 12.997 -4.481 1.00 0.00 H new ATOM 0 HB2 LEU A 93 10.898 11.092 -6.844 1.00 0.00 H new ATOM 0 HB3 LEU A 93 12.178 12.190 -6.366 1.00 0.00 H new ATOM 0 HG LEU A 93 11.238 9.839 -4.700 1.00 0.00 H new ATOM 0 HD11 LEU A 93 13.316 8.738 -5.432 1.00 0.00 H new ATOM 0 HD12 LEU A 93 12.229 9.073 -6.800 1.00 0.00 H new ATOM 0 HD13 LEU A 93 13.652 10.105 -6.521 1.00 0.00 H new ATOM 0 HD21 LEU A 93 13.334 10.219 -3.459 1.00 0.00 H new ATOM 0 HD22 LEU A 93 13.669 11.644 -4.471 1.00 0.00 H new ATOM 0 HD23 LEU A 93 12.258 11.635 -3.387 1.00 0.00 H new ATOM 1446 N ASP A 94 10.227 14.622 -6.262 1.00 0.00 N ATOM 1447 CA ASP A 94 9.703 15.647 -7.158 1.00 0.00 C ATOM 1448 C ASP A 94 10.386 15.577 -8.520 1.00 0.00 C ATOM 1449 O ASP A 94 11.298 14.778 -8.729 1.00 0.00 O ATOM 1450 CB ASP A 94 9.897 17.036 -6.547 1.00 0.00 C ATOM 1451 CG ASP A 94 9.061 18.094 -7.240 1.00 0.00 C ATOM 1452 OD1 ASP A 94 7.819 17.968 -7.234 1.00 0.00 O ATOM 1453 OD2 ASP A 94 9.650 19.049 -7.788 1.00 0.00 O ATOM 0 H ASP A 94 11.000 14.932 -5.673 1.00 0.00 H new ATOM 0 HA ASP A 94 8.637 15.465 -7.296 1.00 0.00 H new ATOM 0 HB2 ASP A 94 9.635 17.005 -5.489 1.00 0.00 H new ATOM 0 HB3 ASP A 94 10.950 17.312 -6.606 1.00 0.00 H new ATOM 1458 N ALA A 95 9.936 16.419 -9.445 1.00 0.00 N ATOM 1459 CA ALA A 95 10.503 16.454 -10.787 1.00 0.00 C ATOM 1460 C ALA A 95 12.025 16.533 -10.738 1.00 0.00 C ATOM 1461 O ALA A 95 12.711 16.052 -11.640 1.00 0.00 O ATOM 1462 CB ALA A 95 9.937 17.629 -11.570 1.00 0.00 C ATOM 0 H ALA A 95 9.180 17.086 -9.289 1.00 0.00 H new ATOM 0 HA ALA A 95 10.229 15.529 -11.294 1.00 0.00 H new ATOM 0 HB1 ALA A 95 10.370 17.642 -12.570 1.00 0.00 H new ATOM 0 HB2 ALA A 95 8.854 17.529 -11.644 1.00 0.00 H new ATOM 0 HB3 ALA A 95 10.181 18.559 -11.057 1.00 0.00 H new ATOM 1468 N ARG A 96 12.547 17.144 -9.679 1.00 0.00 N ATOM 1469 CA ARG A 96 13.989 17.288 -9.514 1.00 0.00 C ATOM 1470 C ARG A 96 14.568 16.108 -8.738 1.00 0.00 C ATOM 1471 O ARG A 96 15.729 15.743 -8.918 1.00 0.00 O ATOM 1472 CB ARG A 96 14.312 18.596 -8.790 1.00 0.00 C ATOM 1473 CG ARG A 96 14.516 19.776 -9.726 1.00 0.00 C ATOM 1474 CD ARG A 96 15.813 19.648 -10.510 1.00 0.00 C ATOM 1475 NE ARG A 96 16.207 20.913 -11.125 1.00 0.00 N ATOM 1476 CZ ARG A 96 15.620 21.419 -12.205 1.00 0.00 C ATOM 1477 NH1 ARG A 96 14.619 20.772 -12.784 1.00 0.00 N ATOM 1478 NH2 ARG A 96 16.035 22.575 -12.706 1.00 0.00 N ATOM 0 H ARG A 96 11.993 17.547 -8.923 1.00 0.00 H new ATOM 0 HA ARG A 96 14.443 17.307 -10.505 1.00 0.00 H new ATOM 0 HB2 ARG A 96 13.502 18.828 -8.098 1.00 0.00 H new ATOM 0 HB3 ARG A 96 15.213 18.458 -8.192 1.00 0.00 H new ATOM 0 HG2 ARG A 96 13.676 19.842 -10.418 1.00 0.00 H new ATOM 0 HG3 ARG A 96 14.528 20.701 -9.150 1.00 0.00 H new ATOM 0 HD2 ARG A 96 16.606 19.305 -9.845 1.00 0.00 H new ATOM 0 HD3 ARG A 96 15.696 18.890 -11.284 1.00 0.00 H new ATOM 0 HE ARG A 96 16.974 21.436 -10.703 1.00 0.00 H new ATOM 0 HH11 ARG A 96 14.297 19.883 -12.401 1.00 0.00 H new ATOM 0 HH12 ARG A 96 14.171 21.163 -13.613 1.00 0.00 H new ATOM 0 HH21 ARG A 96 16.805 23.076 -12.263 1.00 0.00 H new ATOM 0 HH22 ARG A 96 15.584 22.963 -13.535 1.00 0.00 H new ATOM 1492 N GLY A 97 13.749 15.516 -7.874 1.00 0.00 N ATOM 1493 CA GLY A 97 14.198 14.385 -7.083 1.00 0.00 C ATOM 1494 C GLY A 97 14.813 14.807 -5.764 1.00 0.00 C ATOM 1495 O GLY A 97 15.913 14.376 -5.418 1.00 0.00 O ATOM 0 H GLY A 97 12.783 15.799 -7.708 1.00 0.00 H new ATOM 0 HA2 GLY A 97 13.354 13.722 -6.891 1.00 0.00 H new ATOM 0 HA3 GLY A 97 14.929 13.813 -7.655 1.00 0.00 H new ATOM 1499 N ASN A 98 14.103 15.654 -5.025 1.00 0.00 N ATOM 1500 CA ASN A 98 14.588 16.137 -3.737 1.00 0.00 C ATOM 1501 C ASN A 98 13.697 15.644 -2.601 1.00 0.00 C ATOM 1502 O ASN A 98 13.779 16.136 -1.477 1.00 0.00 O ATOM 1503 CB ASN A 98 14.643 17.666 -3.730 1.00 0.00 C ATOM 1504 CG ASN A 98 15.976 18.198 -4.220 1.00 0.00 C ATOM 1505 OD1 ASN A 98 16.971 18.176 -3.495 1.00 0.00 O ATOM 1506 ND2 ASN A 98 16.002 18.681 -5.457 1.00 0.00 N ATOM 0 H ASN A 98 13.190 16.020 -5.296 1.00 0.00 H new ATOM 0 HA ASN A 98 15.593 15.743 -3.584 1.00 0.00 H new ATOM 0 HB2 ASN A 98 13.844 18.059 -4.360 1.00 0.00 H new ATOM 0 HB3 ASN A 98 14.459 18.029 -2.719 1.00 0.00 H new ATOM 0 HD21 ASN A 98 16.871 19.053 -5.841 1.00 0.00 H new ATOM 0 HD22 ASN A 98 15.153 18.680 -6.023 1.00 0.00 H new ATOM 1513 N ASN A 99 12.847 14.668 -2.904 1.00 0.00 N ATOM 1514 CA ASN A 99 11.940 14.108 -1.908 1.00 0.00 C ATOM 1515 C ASN A 99 11.262 15.215 -1.107 1.00 0.00 C ATOM 1516 O ASN A 99 11.169 15.141 0.118 1.00 0.00 O ATOM 1517 CB ASN A 99 12.699 13.172 -0.966 1.00 0.00 C ATOM 1518 CG ASN A 99 13.932 13.826 -0.371 1.00 0.00 C ATOM 1519 OD1 ASN A 99 13.840 14.593 0.588 1.00 0.00 O ATOM 1520 ND2 ASN A 99 15.094 13.526 -0.940 1.00 0.00 N ATOM 0 H ASN A 99 12.767 14.249 -3.830 1.00 0.00 H new ATOM 0 HA ASN A 99 11.171 13.540 -2.431 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.036 12.854 -0.162 1.00 0.00 H new ATOM 0 HB3 ASN A 99 12.994 12.274 -1.510 1.00 0.00 H new ATOM 0 HD21 ASN A 99 15.957 13.936 -0.584 1.00 0.00 H new ATOM 0 HD22 ASN A 99 15.123 12.885 -1.733 1.00 0.00 H new ATOM 1527 N VAL A 100 10.788 16.240 -1.808 1.00 0.00 N ATOM 1528 CA VAL A 100 10.116 17.362 -1.162 1.00 0.00 C ATOM 1529 C VAL A 100 9.207 16.884 -0.036 1.00 0.00 C ATOM 1530 O VAL A 100 9.154 17.492 1.032 1.00 0.00 O ATOM 1531 CB VAL A 100 9.282 18.173 -2.172 1.00 0.00 C ATOM 1532 CG1 VAL A 100 10.175 18.753 -3.258 1.00 0.00 C ATOM 1533 CG2 VAL A 100 8.188 17.306 -2.776 1.00 0.00 C ATOM 0 H VAL A 100 10.857 16.317 -2.823 1.00 0.00 H new ATOM 0 HA VAL A 100 10.895 18.002 -0.748 1.00 0.00 H new ATOM 0 HB VAL A 100 8.808 19.001 -1.645 1.00 0.00 H new ATOM 0 HG11 VAL A 100 9.568 19.322 -3.962 1.00 0.00 H new ATOM 0 HG12 VAL A 100 10.918 19.409 -2.806 1.00 0.00 H new ATOM 0 HG13 VAL A 100 10.679 17.943 -3.786 1.00 0.00 H new ATOM 0 HG21 VAL A 100 7.608 17.895 -3.487 1.00 0.00 H new ATOM 0 HG22 VAL A 100 8.639 16.457 -3.290 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.532 16.944 -1.984 1.00 0.00 H new ATOM 1543 N GLU A 101 8.493 15.790 -0.283 1.00 0.00 N ATOM 1544 CA GLU A 101 7.586 15.230 0.711 1.00 0.00 C ATOM 1545 C GLU A 101 8.218 14.031 1.412 1.00 0.00 C ATOM 1546 O GLU A 101 8.639 13.071 0.767 1.00 0.00 O ATOM 1547 CB GLU A 101 6.268 14.814 0.054 1.00 0.00 C ATOM 1548 CG GLU A 101 5.098 14.751 1.022 1.00 0.00 C ATOM 1549 CD GLU A 101 4.859 16.068 1.735 1.00 0.00 C ATOM 1550 OE1 GLU A 101 5.495 16.299 2.784 1.00 0.00 O ATOM 1551 OE2 GLU A 101 4.035 16.867 1.242 1.00 0.00 O ATOM 0 H GLU A 101 8.525 15.275 -1.163 1.00 0.00 H new ATOM 0 HA GLU A 101 7.386 16.000 1.456 1.00 0.00 H new ATOM 0 HB2 GLU A 101 6.031 15.518 -0.743 1.00 0.00 H new ATOM 0 HB3 GLU A 101 6.396 13.837 -0.412 1.00 0.00 H new ATOM 0 HG2 GLU A 101 4.197 14.468 0.479 1.00 0.00 H new ATOM 0 HG3 GLU A 101 5.284 13.971 1.760 1.00 0.00 H new ATOM 1558 N LYS A 102 8.283 14.095 2.738 1.00 0.00 N ATOM 1559 CA LYS A 102 8.863 13.016 3.529 1.00 0.00 C ATOM 1560 C LYS A 102 8.224 11.677 3.174 1.00 0.00 C ATOM 1561 O LYS A 102 7.022 11.582 2.925 1.00 0.00 O ATOM 1562 CB LYS A 102 8.686 13.298 5.022 1.00 0.00 C ATOM 1563 CG LYS A 102 9.141 12.157 5.915 1.00 0.00 C ATOM 1564 CD LYS A 102 8.456 12.203 7.271 1.00 0.00 C ATOM 1565 CE LYS A 102 9.323 11.580 8.354 1.00 0.00 C ATOM 1566 NZ LYS A 102 8.521 11.169 9.539 1.00 0.00 N ATOM 0 H LYS A 102 7.941 14.883 3.287 1.00 0.00 H new ATOM 0 HA LYS A 102 9.927 12.963 3.300 1.00 0.00 H new ATOM 0 HB2 LYS A 102 9.245 14.197 5.282 1.00 0.00 H new ATOM 0 HB3 LYS A 102 7.635 13.507 5.221 1.00 0.00 H new ATOM 0 HG2 LYS A 102 8.925 11.205 5.429 1.00 0.00 H new ATOM 0 HG3 LYS A 102 10.221 12.208 6.050 1.00 0.00 H new ATOM 0 HD2 LYS A 102 8.233 13.237 7.532 1.00 0.00 H new ATOM 0 HD3 LYS A 102 7.504 11.675 7.217 1.00 0.00 H new ATOM 0 HE2 LYS A 102 9.843 10.712 7.948 1.00 0.00 H new ATOM 0 HE3 LYS A 102 10.087 12.293 8.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 9.149 10.749 10.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 8.045 12.001 9.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 7.808 10.469 9.250 1.00 0.00 H new ATOM 1580 N PRO A 103 9.044 10.616 3.151 1.00 0.00 N ATOM 1581 CA PRO A 103 8.580 9.263 2.831 1.00 0.00 C ATOM 1582 C PRO A 103 7.695 8.679 3.927 1.00 0.00 C ATOM 1583 O PRO A 103 7.773 9.089 5.086 1.00 0.00 O ATOM 1584 CB PRO A 103 9.879 8.462 2.708 1.00 0.00 C ATOM 1585 CG PRO A 103 10.861 9.203 3.548 1.00 0.00 C ATOM 1586 CD PRO A 103 10.488 10.656 3.438 1.00 0.00 C ATOM 0 HA PRO A 103 7.966 9.245 1.931 1.00 0.00 H new ATOM 0 HB2 PRO A 103 9.748 7.439 3.061 1.00 0.00 H new ATOM 0 HB3 PRO A 103 10.210 8.402 1.671 1.00 0.00 H new ATOM 0 HG2 PRO A 103 10.820 8.867 4.584 1.00 0.00 H new ATOM 0 HG3 PRO A 103 11.879 9.034 3.198 1.00 0.00 H new ATOM 0 HD2 PRO A 103 10.700 11.196 4.361 1.00 0.00 H new ATOM 0 HD3 PRO A 103 11.042 11.154 2.643 1.00 0.00 H new ATOM 1594 N LEU A 104 6.855 7.720 3.554 1.00 0.00 N ATOM 1595 CA LEU A 104 5.955 7.078 4.506 1.00 0.00 C ATOM 1596 C LEU A 104 6.347 5.621 4.729 1.00 0.00 C ATOM 1597 O LEU A 104 6.940 4.988 3.856 1.00 0.00 O ATOM 1598 CB LEU A 104 4.511 7.159 4.007 1.00 0.00 C ATOM 1599 CG LEU A 104 4.221 6.466 2.676 1.00 0.00 C ATOM 1600 CD1 LEU A 104 3.911 4.993 2.897 1.00 0.00 C ATOM 1601 CD2 LEU A 104 3.069 7.152 1.956 1.00 0.00 C ATOM 0 H LEU A 104 6.778 7.370 2.599 1.00 0.00 H new ATOM 0 HA LEU A 104 6.035 7.606 5.456 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.860 6.728 4.768 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.239 8.210 3.913 1.00 0.00 H new ATOM 0 HG LEU A 104 5.110 6.540 2.050 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.707 4.516 1.938 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.766 4.508 3.369 1.00 0.00 H new ATOM 0 HD13 LEU A 104 3.038 4.898 3.542 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.877 6.645 1.011 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.175 7.111 2.578 1.00 0.00 H new ATOM 0 HD23 LEU A 104 3.329 8.193 1.763 1.00 0.00 H new ATOM 1613 N GLU A 105 6.009 5.096 5.902 1.00 0.00 N ATOM 1614 CA GLU A 105 6.325 3.712 6.238 1.00 0.00 C ATOM 1615 C GLU A 105 5.159 2.789 5.896 1.00 0.00 C ATOM 1616 O GLU A 105 4.348 2.449 6.758 1.00 0.00 O ATOM 1617 CB GLU A 105 6.667 3.591 7.725 1.00 0.00 C ATOM 1618 CG GLU A 105 6.946 2.165 8.170 1.00 0.00 C ATOM 1619 CD GLU A 105 7.375 2.081 9.623 1.00 0.00 C ATOM 1620 OE1 GLU A 105 7.903 3.086 10.144 1.00 0.00 O ATOM 1621 OE2 GLU A 105 7.182 1.012 10.238 1.00 0.00 O ATOM 0 H GLU A 105 5.517 5.607 6.635 1.00 0.00 H new ATOM 0 HA GLU A 105 7.190 3.410 5.648 1.00 0.00 H new ATOM 0 HB2 GLU A 105 7.540 4.207 7.940 1.00 0.00 H new ATOM 0 HB3 GLU A 105 5.841 3.992 8.313 1.00 0.00 H new ATOM 0 HG2 GLU A 105 6.051 1.561 8.024 1.00 0.00 H new ATOM 0 HG3 GLU A 105 7.726 1.737 7.539 1.00 0.00 H new ATOM 1628 N LEU A 106 5.082 2.388 4.632 1.00 0.00 N ATOM 1629 CA LEU A 106 4.015 1.504 4.174 1.00 0.00 C ATOM 1630 C LEU A 106 4.147 0.120 4.801 1.00 0.00 C ATOM 1631 O LEU A 106 5.255 -0.374 5.010 1.00 0.00 O ATOM 1632 CB LEU A 106 4.040 1.390 2.649 1.00 0.00 C ATOM 1633 CG LEU A 106 3.094 0.356 2.037 1.00 0.00 C ATOM 1634 CD1 LEU A 106 1.685 0.917 1.933 1.00 0.00 C ATOM 1635 CD2 LEU A 106 3.597 -0.084 0.670 1.00 0.00 C ATOM 0 H LEU A 106 5.745 2.660 3.906 1.00 0.00 H new ATOM 0 HA LEU A 106 3.063 1.934 4.485 1.00 0.00 H new ATOM 0 HB2 LEU A 106 3.800 2.366 2.228 1.00 0.00 H new ATOM 0 HB3 LEU A 106 5.057 1.150 2.339 1.00 0.00 H new ATOM 0 HG LEU A 106 3.068 -0.516 2.691 1.00 0.00 H new ATOM 0 HD11 LEU A 106 1.026 0.167 1.495 1.00 0.00 H new ATOM 0 HD12 LEU A 106 1.324 1.181 2.927 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.693 1.806 1.302 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.911 -0.820 0.250 1.00 0.00 H new ATOM 0 HD22 LEU A 106 3.653 0.780 0.008 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.587 -0.528 0.772 1.00 0.00 H new ATOM 1647 N ARG A 107 3.010 -0.500 5.098 1.00 0.00 N ATOM 1648 CA ARG A 107 2.999 -1.828 5.700 1.00 0.00 C ATOM 1649 C ARG A 107 1.901 -2.694 5.088 1.00 0.00 C ATOM 1650 O ARG A 107 0.799 -2.216 4.819 1.00 0.00 O ATOM 1651 CB ARG A 107 2.796 -1.723 7.213 1.00 0.00 C ATOM 1652 CG ARG A 107 3.988 -1.131 7.947 1.00 0.00 C ATOM 1653 CD ARG A 107 3.687 -0.929 9.424 1.00 0.00 C ATOM 1654 NE ARG A 107 2.679 0.105 9.641 1.00 0.00 N ATOM 1655 CZ ARG A 107 2.085 0.319 10.810 1.00 0.00 C ATOM 1656 NH1 ARG A 107 2.398 -0.424 11.862 1.00 0.00 N ATOM 1657 NH2 ARG A 107 1.177 1.280 10.928 1.00 0.00 N ATOM 0 H ARG A 107 2.085 -0.104 4.932 1.00 0.00 H new ATOM 0 HA ARG A 107 3.962 -2.298 5.500 1.00 0.00 H new ATOM 0 HB2 ARG A 107 1.917 -1.110 7.412 1.00 0.00 H new ATOM 0 HB3 ARG A 107 2.590 -2.716 7.613 1.00 0.00 H new ATOM 0 HG2 ARG A 107 4.849 -1.790 7.837 1.00 0.00 H new ATOM 0 HG3 ARG A 107 4.258 -0.176 7.495 1.00 0.00 H new ATOM 0 HD2 ARG A 107 3.341 -1.868 9.855 1.00 0.00 H new ATOM 0 HD3 ARG A 107 4.604 -0.657 9.947 1.00 0.00 H new ATOM 0 HE ARG A 107 2.417 0.695 8.852 1.00 0.00 H new ATOM 0 HH11 ARG A 107 3.096 -1.162 11.775 1.00 0.00 H new ATOM 0 HH12 ARG A 107 1.940 -0.258 12.758 1.00 0.00 H new ATOM 0 HH21 ARG A 107 0.935 1.855 10.121 1.00 0.00 H new ATOM 0 HH22 ARG A 107 0.721 1.444 11.826 1.00 0.00 H new ATOM 1671 N ILE A 108 2.212 -3.967 4.870 1.00 0.00 N ATOM 1672 CA ILE A 108 1.252 -4.898 4.290 1.00 0.00 C ATOM 1673 C ILE A 108 1.060 -6.118 5.186 1.00 0.00 C ATOM 1674 O ILE A 108 1.814 -7.087 5.105 1.00 0.00 O ATOM 1675 CB ILE A 108 1.697 -5.367 2.892 1.00 0.00 C ATOM 1676 CG1 ILE A 108 1.863 -4.168 1.957 1.00 0.00 C ATOM 1677 CG2 ILE A 108 0.692 -6.356 2.321 1.00 0.00 C ATOM 1678 CD1 ILE A 108 2.718 -4.462 0.744 1.00 0.00 C ATOM 0 H ILE A 108 3.121 -4.377 5.086 1.00 0.00 H new ATOM 0 HA ILE A 108 0.307 -4.363 4.201 1.00 0.00 H new ATOM 0 HB ILE A 108 2.660 -5.869 2.983 1.00 0.00 H new ATOM 0 HG12 ILE A 108 0.879 -3.836 1.626 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.307 -3.342 2.513 1.00 0.00 H new ATOM 0 HG21 ILE A 108 1.020 -6.678 1.333 1.00 0.00 H new ATOM 0 HG22 ILE A 108 0.619 -7.222 2.979 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -0.284 -5.878 2.241 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.792 -3.567 0.126 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.714 -4.765 1.066 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.264 -5.266 0.165 1.00 0.00 H new ATOM 1690 N LYS A 109 0.043 -6.063 6.039 1.00 0.00 N ATOM 1691 CA LYS A 109 -0.253 -7.163 6.949 1.00 0.00 C ATOM 1692 C LYS A 109 -0.724 -8.394 6.180 1.00 0.00 C ATOM 1693 O LYS A 109 -1.668 -8.322 5.392 1.00 0.00 O ATOM 1694 CB LYS A 109 -1.321 -6.742 7.961 1.00 0.00 C ATOM 1695 CG LYS A 109 -1.832 -7.887 8.818 1.00 0.00 C ATOM 1696 CD LYS A 109 -2.828 -7.404 9.858 1.00 0.00 C ATOM 1697 CE LYS A 109 -3.161 -8.498 10.862 1.00 0.00 C ATOM 1698 NZ LYS A 109 -3.746 -7.942 12.114 1.00 0.00 N ATOM 0 H LYS A 109 -0.591 -5.268 6.119 1.00 0.00 H new ATOM 0 HA LYS A 109 0.664 -7.417 7.481 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -0.910 -5.969 8.610 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -2.160 -6.297 7.427 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -2.303 -8.636 8.182 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -0.993 -8.373 9.315 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -2.418 -6.540 10.382 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -3.741 -7.073 9.363 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -3.863 -9.201 10.414 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -2.257 -9.059 11.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -3.959 -8.718 12.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -3.066 -7.291 12.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -4.622 -7.428 11.890 1.00 0.00 H new ATOM 1712 N VAL A 110 -0.062 -9.522 6.414 1.00 0.00 N ATOM 1713 CA VAL A 110 -0.415 -10.769 5.746 1.00 0.00 C ATOM 1714 C VAL A 110 -1.480 -11.529 6.527 1.00 0.00 C ATOM 1715 O VAL A 110 -1.184 -12.180 7.530 1.00 0.00 O ATOM 1716 CB VAL A 110 0.817 -11.675 5.562 1.00 0.00 C ATOM 1717 CG1 VAL A 110 0.408 -13.020 4.981 1.00 0.00 C ATOM 1718 CG2 VAL A 110 1.852 -10.995 4.679 1.00 0.00 C ATOM 0 H VAL A 110 0.722 -9.598 7.062 1.00 0.00 H new ATOM 0 HA VAL A 110 -0.810 -10.502 4.766 1.00 0.00 H new ATOM 0 HB VAL A 110 1.267 -11.850 6.539 1.00 0.00 H new ATOM 0 HG11 VAL A 110 1.291 -13.647 4.858 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -0.293 -13.510 5.656 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -0.067 -12.868 4.012 1.00 0.00 H new ATOM 0 HG21 VAL A 110 2.715 -11.650 4.560 1.00 0.00 H new ATOM 0 HG22 VAL A 110 1.416 -10.788 3.702 1.00 0.00 H new ATOM 0 HG23 VAL A 110 2.167 -10.060 5.142 1.00 0.00 H new ATOM 1728 N LEU A 111 -2.722 -11.443 6.062 1.00 0.00 N ATOM 1729 CA LEU A 111 -3.833 -12.124 6.717 1.00 0.00 C ATOM 1730 C LEU A 111 -3.668 -13.638 6.636 1.00 0.00 C ATOM 1731 O LEU A 111 -2.984 -14.151 5.750 1.00 0.00 O ATOM 1732 CB LEU A 111 -5.159 -11.709 6.076 1.00 0.00 C ATOM 1733 CG LEU A 111 -5.429 -10.206 6.004 1.00 0.00 C ATOM 1734 CD1 LEU A 111 -6.553 -9.912 5.023 1.00 0.00 C ATOM 1735 CD2 LEU A 111 -5.764 -9.657 7.383 1.00 0.00 C ATOM 0 H LEU A 111 -2.984 -10.908 5.234 1.00 0.00 H new ATOM 0 HA LEU A 111 -3.837 -11.834 7.768 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -5.192 -12.113 5.064 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -5.971 -12.177 6.633 1.00 0.00 H new ATOM 0 HG LEU A 111 -4.526 -9.711 5.648 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -6.731 -8.837 4.985 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.273 -10.269 4.032 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -7.462 -10.419 5.348 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -5.953 -8.586 7.312 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -6.652 -10.158 7.768 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -4.927 -9.834 8.058 1.00 0.00 H new ATOM 1747 N ASP A 112 -4.299 -14.347 7.566 1.00 0.00 N ATOM 1748 CA ASP A 112 -4.224 -15.803 7.598 1.00 0.00 C ATOM 1749 C ASP A 112 -5.332 -16.423 6.752 1.00 0.00 C ATOM 1750 O ASP A 112 -6.438 -15.888 6.672 1.00 0.00 O ATOM 1751 CB ASP A 112 -4.324 -16.307 9.039 1.00 0.00 C ATOM 1752 CG ASP A 112 -3.741 -17.697 9.207 1.00 0.00 C ATOM 1753 OD1 ASP A 112 -2.570 -17.900 8.823 1.00 0.00 O ATOM 1754 OD2 ASP A 112 -4.456 -18.581 9.723 1.00 0.00 O ATOM 0 H ASP A 112 -4.868 -13.937 8.307 1.00 0.00 H new ATOM 0 HA ASP A 112 -3.262 -16.103 7.181 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -3.802 -15.615 9.700 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -5.370 -16.315 9.347 1.00 0.00 H new ATOM 1759 N ILE A 113 -5.025 -17.551 6.121 1.00 0.00 N ATOM 1760 CA ILE A 113 -5.995 -18.243 5.280 1.00 0.00 C ATOM 1761 C ILE A 113 -7.385 -18.212 5.905 1.00 0.00 C ATOM 1762 O ILE A 113 -8.390 -18.114 5.203 1.00 0.00 O ATOM 1763 CB ILE A 113 -5.585 -19.708 5.037 1.00 0.00 C ATOM 1764 CG1 ILE A 113 -6.632 -20.416 4.175 1.00 0.00 C ATOM 1765 CG2 ILE A 113 -5.403 -20.433 6.362 1.00 0.00 C ATOM 1766 CD1 ILE A 113 -6.466 -20.163 2.693 1.00 0.00 C ATOM 0 H ILE A 113 -4.113 -18.005 6.176 1.00 0.00 H new ATOM 0 HA ILE A 113 -6.017 -17.718 4.325 1.00 0.00 H new ATOM 0 HB ILE A 113 -4.634 -19.721 4.504 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -6.578 -21.489 4.360 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -7.625 -20.089 4.482 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -5.113 -21.467 6.174 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -4.625 -19.938 6.944 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -6.340 -20.414 6.919 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -7.242 -20.696 2.144 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -6.550 -19.094 2.495 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -5.486 -20.516 2.371 1.00 0.00 H new ATOM 1778 N ASN A 114 -7.434 -18.296 7.231 1.00 0.00 N ATOM 1779 CA ASN A 114 -8.702 -18.277 7.951 1.00 0.00 C ATOM 1780 C ASN A 114 -8.866 -16.974 8.728 1.00 0.00 C ATOM 1781 O ASN A 114 -9.241 -16.982 9.901 1.00 0.00 O ATOM 1782 CB ASN A 114 -8.787 -19.468 8.908 1.00 0.00 C ATOM 1783 CG ASN A 114 -8.242 -20.743 8.293 1.00 0.00 C ATOM 1784 OD1 ASN A 114 -7.348 -21.381 8.850 1.00 0.00 O ATOM 1785 ND2 ASN A 114 -8.779 -21.120 7.139 1.00 0.00 N ATOM 0 H ASN A 114 -6.611 -18.378 7.828 1.00 0.00 H new ATOM 0 HA ASN A 114 -9.508 -18.348 7.220 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -8.231 -19.240 9.818 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -9.826 -19.623 9.199 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -8.453 -21.969 6.678 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -9.518 -20.560 6.713 1.00 0.00 H new ATOM 1792 N ASP A 115 -8.584 -15.857 8.067 1.00 0.00 N ATOM 1793 CA ASP A 115 -8.701 -14.546 8.694 1.00 0.00 C ATOM 1794 C ASP A 115 -9.563 -13.614 7.847 1.00 0.00 C ATOM 1795 O ASP A 115 -9.396 -13.533 6.631 1.00 0.00 O ATOM 1796 CB ASP A 115 -7.317 -13.931 8.903 1.00 0.00 C ATOM 1797 CG ASP A 115 -7.291 -12.941 10.051 1.00 0.00 C ATOM 1798 OD1 ASP A 115 -8.059 -13.132 11.016 1.00 0.00 O ATOM 1799 OD2 ASP A 115 -6.502 -11.975 9.984 1.00 0.00 O ATOM 0 H ASP A 115 -8.272 -15.833 7.096 1.00 0.00 H new ATOM 0 HA ASP A 115 -9.182 -14.676 9.664 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -6.595 -14.725 9.095 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -7.003 -13.430 7.987 1.00 0.00 H new