USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=17 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 Set 1.1: A 51 THR OG1 : rot 10:sc= 1.42 USER MOD Set 1.2: A 89 THR OG1 : rot -73:sc= 2.13 USER MOD Single : A 14 THR OG1 : rot -20:sc= 0.195 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= -8.34! C(o=-8.3!,f=-10!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HE2:sc= 0.259 K(o=0.26,f=-0.92) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 165:sc=-0.000146 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= -2.43 K(o=-2.4,f=-3.3!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.264 USER MOD Single : A 73 ASN : amide:sc= -1.15! C(o=-1.1!,f=-5.6!) USER MOD Single : A 75 THR OG1 : rot 68:sc= 0.335 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 171:sc= 1.2 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -1.35 K(o=-1.4,f=-0.068) USER MOD Single : A 99 ASN : amide:sc= -0.837 K(o=-0.84,f=-5.2!) USER MOD Single : A 102 LYS NZ :NH3+ -145:sc= -0.194 (180deg=-1.51!) USER MOD Single : A 109 LYS NZ :NH3+ -137:sc= -0.654 (180deg=-3.18!) USER MOD Single : A 114 ASN : amide:sc=-0.00183 X(o=-0.0018,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 182 N THR A 14 -2.598 7.435 4.417 1.00 0.00 N ATOM 183 CA THR A 14 -2.752 6.114 3.822 1.00 0.00 C ATOM 184 C THR A 14 -3.485 5.168 4.766 1.00 0.00 C ATOM 185 O THR A 14 -3.773 5.518 5.910 1.00 0.00 O ATOM 186 CB THR A 14 -1.388 5.500 3.454 1.00 0.00 C ATOM 187 OG1 THR A 14 -0.483 5.623 4.557 1.00 0.00 O ATOM 188 CG2 THR A 14 -0.799 6.183 2.230 1.00 0.00 C ATOM 0 HA THR A 14 -3.340 6.244 2.913 1.00 0.00 H new ATOM 0 HB THR A 14 -1.539 4.445 3.224 1.00 0.00 H new ATOM 0 HG1 THR A 14 -0.797 6.328 5.161 1.00 0.00 H new ATOM 0 HG21 THR A 14 0.164 5.732 1.990 1.00 0.00 H new ATOM 0 HG22 THR A 14 -1.477 6.063 1.385 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.661 7.244 2.437 1.00 0.00 H new ATOM 196 N ALA A 15 -3.782 3.967 4.281 1.00 0.00 N ATOM 197 CA ALA A 15 -4.478 2.969 5.083 1.00 0.00 C ATOM 198 C ALA A 15 -3.681 1.671 5.159 1.00 0.00 C ATOM 199 O ALA A 15 -2.885 1.351 4.276 1.00 0.00 O ATOM 200 CB ALA A 15 -5.864 2.707 4.513 1.00 0.00 C ATOM 0 H ALA A 15 -3.551 3.662 3.336 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.581 3.360 6.095 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.373 1.960 5.122 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.440 3.632 4.518 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.774 2.341 3.490 1.00 0.00 H new ATOM 206 N PRO A 16 -3.897 0.905 6.239 1.00 0.00 N ATOM 207 CA PRO A 16 -3.208 -0.370 6.455 1.00 0.00 C ATOM 208 C PRO A 16 -3.663 -1.448 5.478 1.00 0.00 C ATOM 209 O PRO A 16 -4.831 -1.838 5.467 1.00 0.00 O ATOM 210 CB PRO A 16 -3.599 -0.746 7.886 1.00 0.00 C ATOM 211 CG PRO A 16 -4.898 -0.054 8.119 1.00 0.00 C ATOM 212 CD PRO A 16 -4.832 1.225 7.331 1.00 0.00 C ATOM 0 HA PRO A 16 -2.132 -0.283 6.301 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -3.700 -1.826 7.998 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.843 -0.421 8.601 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -5.734 -0.672 7.791 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.048 0.148 9.180 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -5.812 1.513 6.950 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.470 2.054 7.940 1.00 0.00 H new ATOM 220 N VAL A 17 -2.733 -1.928 4.657 1.00 0.00 N ATOM 221 CA VAL A 17 -3.039 -2.962 3.677 1.00 0.00 C ATOM 222 C VAL A 17 -3.081 -4.340 4.327 1.00 0.00 C ATOM 223 O VAL A 17 -2.058 -4.861 4.770 1.00 0.00 O ATOM 224 CB VAL A 17 -2.005 -2.977 2.536 1.00 0.00 C ATOM 225 CG1 VAL A 17 -2.286 -4.123 1.575 1.00 0.00 C ATOM 226 CG2 VAL A 17 -2.001 -1.644 1.803 1.00 0.00 C ATOM 0 H VAL A 17 -1.762 -1.617 4.652 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.021 -2.727 3.265 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.016 -3.131 2.968 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.545 -4.117 0.776 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.233 -5.070 2.112 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.282 -4.004 1.148 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.264 -1.673 1.000 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.989 -1.457 1.383 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.747 -0.846 2.501 1.00 0.00 H new ATOM 236 N ALA A 18 -4.273 -4.927 4.382 1.00 0.00 N ATOM 237 CA ALA A 18 -4.449 -6.246 4.976 1.00 0.00 C ATOM 238 C ALA A 18 -4.936 -7.254 3.940 1.00 0.00 C ATOM 239 O ALA A 18 -6.128 -7.551 3.861 1.00 0.00 O ATOM 240 CB ALA A 18 -5.423 -6.174 6.143 1.00 0.00 C ATOM 0 H ALA A 18 -5.131 -4.509 4.022 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.480 -6.583 5.346 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.545 -7.166 6.577 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.035 -5.492 6.900 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.388 -5.812 5.789 1.00 0.00 H new ATOM 246 N LEU A 19 -4.006 -7.777 3.148 1.00 0.00 N ATOM 247 CA LEU A 19 -4.340 -8.752 2.116 1.00 0.00 C ATOM 248 C LEU A 19 -4.456 -10.153 2.708 1.00 0.00 C ATOM 249 O LEU A 19 -3.834 -10.461 3.724 1.00 0.00 O ATOM 250 CB LEU A 19 -3.282 -8.738 1.011 1.00 0.00 C ATOM 251 CG LEU A 19 -3.025 -7.385 0.346 1.00 0.00 C ATOM 252 CD1 LEU A 19 -1.739 -7.426 -0.465 1.00 0.00 C ATOM 253 CD2 LEU A 19 -4.201 -6.992 -0.536 1.00 0.00 C ATOM 0 H LEU A 19 -3.015 -7.542 3.201 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.305 -8.477 1.689 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.343 -9.099 1.430 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.581 -9.448 0.240 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.915 -6.633 1.127 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.572 -6.455 -0.931 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.902 -7.662 0.192 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.820 -8.190 -1.238 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.000 -6.027 -1.001 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.343 -7.746 -1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.104 -6.922 0.071 1.00 0.00 H new ATOM 265 N ARG A 20 -5.254 -10.998 2.063 1.00 0.00 N ATOM 266 CA ARG A 20 -5.450 -12.367 2.525 1.00 0.00 C ATOM 267 C ARG A 20 -4.473 -13.317 1.840 1.00 0.00 C ATOM 268 O ARG A 20 -4.319 -13.289 0.619 1.00 0.00 O ATOM 269 CB ARG A 20 -6.888 -12.817 2.258 1.00 0.00 C ATOM 270 CG ARG A 20 -7.150 -14.267 2.627 1.00 0.00 C ATOM 271 CD ARG A 20 -7.464 -14.418 4.108 1.00 0.00 C ATOM 272 NE ARG A 20 -8.870 -14.153 4.399 1.00 0.00 N ATOM 273 CZ ARG A 20 -9.333 -12.965 4.772 1.00 0.00 C ATOM 274 NH1 ARG A 20 -8.505 -11.938 4.898 1.00 0.00 N ATOM 275 NH2 ARG A 20 -10.627 -12.804 5.019 1.00 0.00 N ATOM 0 H ARG A 20 -5.775 -10.759 1.219 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.262 -12.392 3.598 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.570 -12.179 2.820 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.115 -12.673 1.202 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.983 -14.649 2.037 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.278 -14.871 2.376 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.211 -15.428 4.431 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.840 -13.734 4.683 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.534 -14.923 4.311 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.510 -12.059 4.708 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.863 -11.027 5.184 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.267 -13.593 4.922 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.982 -11.892 5.305 1.00 0.00 H new ATOM 289 N GLU A 21 -3.815 -14.156 2.634 1.00 0.00 N ATOM 290 CA GLU A 21 -2.852 -15.113 2.103 1.00 0.00 C ATOM 291 C GLU A 21 -3.561 -16.326 1.508 1.00 0.00 C ATOM 292 O GLU A 21 -4.421 -16.931 2.147 1.00 0.00 O ATOM 293 CB GLU A 21 -1.886 -15.561 3.202 1.00 0.00 C ATOM 294 CG GLU A 21 -2.469 -16.611 4.133 1.00 0.00 C ATOM 295 CD GLU A 21 -2.317 -18.020 3.592 1.00 0.00 C ATOM 296 OE1 GLU A 21 -1.166 -18.451 3.375 1.00 0.00 O ATOM 297 OE2 GLU A 21 -3.351 -18.690 3.387 1.00 0.00 O ATOM 0 H GLU A 21 -3.931 -14.192 3.647 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.287 -14.620 1.312 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.982 -15.959 2.740 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.588 -14.692 3.789 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.978 -16.544 5.104 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.526 -16.400 4.296 1.00 0.00 H new ATOM 304 N GLY A 22 -3.195 -16.674 0.278 1.00 0.00 N ATOM 305 CA GLY A 22 -3.807 -17.812 -0.383 1.00 0.00 C ATOM 306 C GLY A 22 -4.838 -17.398 -1.414 1.00 0.00 C ATOM 307 O GLY A 22 -5.866 -18.056 -1.571 1.00 0.00 O ATOM 0 H GLY A 22 -2.486 -16.189 -0.272 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.032 -18.407 -0.867 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.280 -18.451 0.363 1.00 0.00 H new ATOM 311 N GLU A 23 -4.565 -16.303 -2.116 1.00 0.00 N ATOM 312 CA GLU A 23 -5.479 -15.802 -3.135 1.00 0.00 C ATOM 313 C GLU A 23 -4.853 -14.643 -3.906 1.00 0.00 C ATOM 314 O GLU A 23 -4.470 -13.629 -3.322 1.00 0.00 O ATOM 315 CB GLU A 23 -6.794 -15.351 -2.495 1.00 0.00 C ATOM 316 CG GLU A 23 -7.803 -14.810 -3.493 1.00 0.00 C ATOM 317 CD GLU A 23 -8.740 -13.788 -2.880 1.00 0.00 C ATOM 318 OE1 GLU A 23 -8.285 -13.005 -2.020 1.00 0.00 O ATOM 319 OE2 GLU A 23 -9.930 -13.771 -3.260 1.00 0.00 O ATOM 0 H GLU A 23 -3.719 -15.746 -1.998 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.682 -16.613 -3.834 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.237 -16.193 -1.964 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.582 -14.582 -1.753 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.273 -14.355 -4.330 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -8.387 -15.637 -3.897 1.00 0.00 H new ATOM 326 N ASP A 24 -4.751 -14.802 -5.221 1.00 0.00 N ATOM 327 CA ASP A 24 -4.172 -13.770 -6.073 1.00 0.00 C ATOM 328 C ASP A 24 -4.789 -12.408 -5.774 1.00 0.00 C ATOM 329 O ASP A 24 -6.010 -12.245 -5.813 1.00 0.00 O ATOM 330 CB ASP A 24 -4.375 -14.123 -7.548 1.00 0.00 C ATOM 331 CG ASP A 24 -3.397 -15.176 -8.031 1.00 0.00 C ATOM 332 OD1 ASP A 24 -3.432 -16.307 -7.501 1.00 0.00 O ATOM 333 OD2 ASP A 24 -2.597 -14.869 -8.939 1.00 0.00 O ATOM 0 H ASP A 24 -5.062 -15.636 -5.720 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.104 -13.718 -5.863 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.393 -14.482 -7.696 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.263 -13.223 -8.153 1.00 0.00 H new ATOM 338 N LEU A 25 -3.940 -11.432 -5.473 1.00 0.00 N ATOM 339 CA LEU A 25 -4.402 -10.083 -5.165 1.00 0.00 C ATOM 340 C LEU A 25 -4.540 -9.251 -6.437 1.00 0.00 C ATOM 341 O LEU A 25 -4.110 -8.099 -6.486 1.00 0.00 O ATOM 342 CB LEU A 25 -3.434 -9.399 -4.198 1.00 0.00 C ATOM 343 CG LEU A 25 -3.561 -9.799 -2.727 1.00 0.00 C ATOM 344 CD1 LEU A 25 -4.965 -9.515 -2.216 1.00 0.00 C ATOM 345 CD2 LEU A 25 -3.211 -11.268 -2.541 1.00 0.00 C ATOM 0 H LEU A 25 -2.927 -11.549 -5.436 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.382 -10.160 -4.694 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.416 -9.610 -4.525 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.576 -8.321 -4.274 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.857 -9.202 -2.146 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.037 -9.806 -1.168 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.179 -8.451 -2.313 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.687 -10.085 -2.801 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.307 -11.534 -1.488 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.889 -11.882 -3.134 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.186 -11.442 -2.867 1.00 0.00 H new ATOM 357 N SER A 26 -5.144 -9.843 -7.462 1.00 0.00 N ATOM 358 CA SER A 26 -5.338 -9.158 -8.734 1.00 0.00 C ATOM 359 C SER A 26 -6.451 -8.120 -8.628 1.00 0.00 C ATOM 360 O SER A 26 -6.256 -6.947 -8.950 1.00 0.00 O ATOM 361 CB SER A 26 -5.669 -10.166 -9.836 1.00 0.00 C ATOM 362 OG SER A 26 -4.583 -11.047 -10.064 1.00 0.00 O ATOM 0 H SER A 26 -5.507 -10.796 -7.436 1.00 0.00 H new ATOM 0 HA SER A 26 -4.410 -8.646 -8.987 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.553 -10.739 -9.556 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.911 -9.636 -10.757 1.00 0.00 H new ATOM 0 HG SER A 26 -4.820 -11.682 -10.771 1.00 0.00 H new ATOM 368 N LYS A 27 -7.620 -8.559 -8.175 1.00 0.00 N ATOM 369 CA LYS A 27 -8.766 -7.671 -8.024 1.00 0.00 C ATOM 370 C LYS A 27 -8.493 -6.605 -6.967 1.00 0.00 C ATOM 371 O LYS A 27 -8.674 -5.412 -7.212 1.00 0.00 O ATOM 372 CB LYS A 27 -10.013 -8.473 -7.645 1.00 0.00 C ATOM 373 CG LYS A 27 -11.289 -7.649 -7.645 1.00 0.00 C ATOM 374 CD LYS A 27 -11.551 -7.025 -6.285 1.00 0.00 C ATOM 375 CE LYS A 27 -12.755 -6.096 -6.320 1.00 0.00 C ATOM 376 NZ LYS A 27 -14.024 -6.822 -6.034 1.00 0.00 N ATOM 0 H LYS A 27 -7.799 -9.526 -7.906 1.00 0.00 H new ATOM 0 HA LYS A 27 -8.938 -7.175 -8.979 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.127 -9.303 -8.342 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.870 -8.905 -6.655 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -11.216 -6.864 -8.398 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.132 -8.282 -7.924 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.718 -7.811 -5.549 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.670 -6.469 -5.963 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.620 -5.299 -5.589 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.820 -5.623 -7.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.821 -6.155 -6.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.166 -7.566 -6.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.972 -7.253 -5.089 1.00 0.00 H new ATOM 390 N LYS A 28 -8.055 -7.043 -5.792 1.00 0.00 N ATOM 391 CA LYS A 28 -7.754 -6.127 -4.698 1.00 0.00 C ATOM 392 C LYS A 28 -6.905 -4.958 -5.185 1.00 0.00 C ATOM 393 O LYS A 28 -7.298 -3.799 -5.060 1.00 0.00 O ATOM 394 CB LYS A 28 -7.026 -6.866 -3.573 1.00 0.00 C ATOM 395 CG LYS A 28 -7.860 -7.954 -2.920 1.00 0.00 C ATOM 396 CD LYS A 28 -8.692 -7.406 -1.773 1.00 0.00 C ATOM 397 CE LYS A 28 -9.773 -8.390 -1.349 1.00 0.00 C ATOM 398 NZ LYS A 28 -9.294 -9.314 -0.284 1.00 0.00 N ATOM 0 H LYS A 28 -7.900 -8.027 -5.573 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.696 -5.734 -4.316 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.114 -7.310 -3.972 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.724 -6.146 -2.813 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.517 -8.406 -3.663 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.205 -8.743 -2.551 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.044 -7.187 -0.924 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.153 -6.465 -2.073 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.643 -7.841 -0.989 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.097 -8.969 -2.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.059 -9.968 -0.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.479 -9.856 -0.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.009 -8.763 0.551 1.00 0.00 H new ATOM 412 N ASN A 29 -5.740 -5.270 -5.743 1.00 0.00 N ATOM 413 CA ASN A 29 -4.836 -4.244 -6.251 1.00 0.00 C ATOM 414 C ASN A 29 -5.590 -3.226 -7.099 1.00 0.00 C ATOM 415 O ASN A 29 -6.610 -3.530 -7.719 1.00 0.00 O ATOM 416 CB ASN A 29 -3.717 -4.884 -7.076 1.00 0.00 C ATOM 417 CG ASN A 29 -4.200 -5.360 -8.433 1.00 0.00 C ATOM 418 OD1 ASN A 29 -4.997 -4.690 -9.090 1.00 0.00 O ATOM 419 ND2 ASN A 29 -3.718 -6.522 -8.858 1.00 0.00 N ATOM 0 H ASN A 29 -5.400 -6.225 -5.855 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.398 -3.726 -5.398 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.911 -4.162 -7.212 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.300 -5.727 -6.525 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -4.007 -6.893 -9.763 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.059 -7.043 -8.279 1.00 0.00 H new ATOM 426 N PRO A 30 -5.079 -1.986 -7.129 1.00 0.00 N ATOM 427 CA PRO A 30 -3.867 -1.612 -6.395 1.00 0.00 C ATOM 428 C PRO A 30 -4.086 -1.590 -4.886 1.00 0.00 C ATOM 429 O PRO A 30 -5.181 -1.282 -4.413 1.00 0.00 O ATOM 430 CB PRO A 30 -3.560 -0.203 -6.911 1.00 0.00 C ATOM 431 CG PRO A 30 -4.876 0.329 -7.363 1.00 0.00 C ATOM 432 CD PRO A 30 -5.645 -0.854 -7.882 1.00 0.00 C ATOM 0 HA PRO A 30 -3.058 -2.325 -6.554 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.129 0.420 -6.128 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -2.841 -0.229 -7.730 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -5.406 0.809 -6.540 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.746 1.082 -8.141 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -6.715 -0.747 -7.703 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -5.512 -0.980 -8.957 1.00 0.00 H new ATOM 440 N ILE A 31 -3.040 -1.919 -4.136 1.00 0.00 N ATOM 441 CA ILE A 31 -3.119 -1.936 -2.680 1.00 0.00 C ATOM 442 C ILE A 31 -2.584 -0.638 -2.086 1.00 0.00 C ATOM 443 O ILE A 31 -3.082 -0.157 -1.069 1.00 0.00 O ATOM 444 CB ILE A 31 -2.334 -3.121 -2.087 1.00 0.00 C ATOM 445 CG1 ILE A 31 -0.887 -3.102 -2.584 1.00 0.00 C ATOM 446 CG2 ILE A 31 -3.008 -4.436 -2.449 1.00 0.00 C ATOM 447 CD1 ILE A 31 -0.018 -4.167 -1.954 1.00 0.00 C ATOM 0 H ILE A 31 -2.128 -2.177 -4.512 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.173 -2.044 -2.422 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.326 -3.026 -1.001 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.881 -3.233 -3.666 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.454 -2.123 -2.379 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.442 -5.264 -2.023 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.022 -4.447 -2.050 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.043 -4.540 -3.533 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.994 -4.094 -2.353 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.007 -4.024 -0.874 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.427 -5.152 -2.181 1.00 0.00 H new ATOM 459 N ALA A 32 -1.567 -0.074 -2.729 1.00 0.00 N ATOM 460 CA ALA A 32 -0.966 1.171 -2.267 1.00 0.00 C ATOM 461 C ALA A 32 -1.305 2.326 -3.203 1.00 0.00 C ATOM 462 O ALA A 32 -1.542 2.123 -4.395 1.00 0.00 O ATOM 463 CB ALA A 32 0.543 1.015 -2.143 1.00 0.00 C ATOM 0 H ALA A 32 -1.142 -0.460 -3.572 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.379 1.401 -1.285 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.978 1.952 -1.797 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.769 0.224 -1.428 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.963 0.757 -3.115 1.00 0.00 H new ATOM 469 N LYS A 33 -1.327 3.537 -2.658 1.00 0.00 N ATOM 470 CA LYS A 33 -1.637 4.725 -3.444 1.00 0.00 C ATOM 471 C LYS A 33 -0.517 5.756 -3.337 1.00 0.00 C ATOM 472 O LYS A 33 0.109 6.113 -4.335 1.00 0.00 O ATOM 473 CB LYS A 33 -2.958 5.341 -2.978 1.00 0.00 C ATOM 474 CG LYS A 33 -4.180 4.535 -3.382 1.00 0.00 C ATOM 475 CD LYS A 33 -5.371 4.845 -2.491 1.00 0.00 C ATOM 476 CE LYS A 33 -6.657 4.259 -3.055 1.00 0.00 C ATOM 477 NZ LYS A 33 -7.864 4.882 -2.446 1.00 0.00 N ATOM 0 H LYS A 33 -1.134 3.722 -1.674 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.732 4.424 -4.487 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.941 5.439 -1.893 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.045 6.347 -3.388 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.434 4.753 -4.419 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.950 3.471 -3.327 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.194 4.444 -1.493 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.477 5.925 -2.386 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.679 4.404 -4.135 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.675 3.184 -2.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -8.719 4.456 -2.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.856 4.722 -1.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.861 5.904 -2.637 1.00 0.00 H new ATOM 491 N ILE A 34 -0.270 6.229 -2.120 1.00 0.00 N ATOM 492 CA ILE A 34 0.776 7.216 -1.883 1.00 0.00 C ATOM 493 C ILE A 34 0.540 8.476 -2.709 1.00 0.00 C ATOM 494 O ILE A 34 1.415 8.914 -3.457 1.00 0.00 O ATOM 495 CB ILE A 34 2.170 6.651 -2.215 1.00 0.00 C ATOM 496 CG1 ILE A 34 2.370 5.296 -1.533 1.00 0.00 C ATOM 497 CG2 ILE A 34 3.253 7.630 -1.789 1.00 0.00 C ATOM 498 CD1 ILE A 34 3.808 4.825 -1.537 1.00 0.00 C ATOM 0 H ILE A 34 -0.780 5.945 -1.283 1.00 0.00 H new ATOM 0 HA ILE A 34 0.738 7.467 -0.823 1.00 0.00 H new ATOM 0 HB ILE A 34 2.241 6.508 -3.293 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.020 5.362 -0.503 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.751 4.551 -2.033 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.232 7.217 -2.030 1.00 0.00 H new ATOM 0 HG22 ILE A 34 3.118 8.574 -2.316 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.186 7.802 -0.715 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.876 3.859 -1.037 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.156 4.727 -2.565 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.430 5.550 -1.011 1.00 0.00 H new ATOM 510 N HIS A 35 -0.647 9.056 -2.568 1.00 0.00 N ATOM 511 CA HIS A 35 -0.998 10.268 -3.300 1.00 0.00 C ATOM 512 C HIS A 35 -0.587 11.512 -2.518 1.00 0.00 C ATOM 513 O HIS A 35 -1.410 12.138 -1.851 1.00 0.00 O ATOM 514 CB HIS A 35 -2.500 10.302 -3.582 1.00 0.00 C ATOM 515 CG HIS A 35 -2.901 9.508 -4.787 1.00 0.00 C ATOM 516 ND1 HIS A 35 -3.983 9.834 -5.577 1.00 0.00 N ATOM 517 CD2 HIS A 35 -2.357 8.397 -5.337 1.00 0.00 C ATOM 518 CE1 HIS A 35 -4.088 8.957 -6.560 1.00 0.00 C ATOM 519 NE2 HIS A 35 -3.113 8.075 -6.437 1.00 0.00 N ATOM 0 H HIS A 35 -1.382 8.707 -1.954 1.00 0.00 H new ATOM 0 HA HIS A 35 -0.459 10.260 -4.247 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -3.034 9.920 -2.712 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -2.812 11.337 -3.719 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -4.605 10.628 -5.426 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -1.490 7.863 -4.977 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -4.843 8.961 -7.332 1.00 0.00 H new ATOM 528 N SER A 36 0.692 11.865 -2.606 1.00 0.00 N ATOM 529 CA SER A 36 1.213 13.031 -1.903 1.00 0.00 C ATOM 530 C SER A 36 0.278 14.226 -2.065 1.00 0.00 C ATOM 531 O SER A 36 0.287 14.900 -3.095 1.00 0.00 O ATOM 532 CB SER A 36 2.607 13.386 -2.424 1.00 0.00 C ATOM 533 OG SER A 36 3.550 12.386 -2.080 1.00 0.00 O ATOM 0 H SER A 36 1.386 11.360 -3.157 1.00 0.00 H new ATOM 0 HA SER A 36 1.280 12.785 -0.843 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.575 13.503 -3.507 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.921 14.344 -2.009 1.00 0.00 H new ATOM 0 HG SER A 36 4.432 12.636 -2.426 1.00 0.00 H new ATOM 539 N ASP A 37 -0.529 14.481 -1.041 1.00 0.00 N ATOM 540 CA ASP A 37 -1.471 15.594 -1.068 1.00 0.00 C ATOM 541 C ASP A 37 -0.883 16.785 -1.818 1.00 0.00 C ATOM 542 O ASP A 37 -1.511 17.333 -2.725 1.00 0.00 O ATOM 543 CB ASP A 37 -1.846 16.007 0.356 1.00 0.00 C ATOM 544 CG ASP A 37 -2.436 17.402 0.418 1.00 0.00 C ATOM 545 OD1 ASP A 37 -1.673 18.376 0.254 1.00 0.00 O ATOM 546 OD2 ASP A 37 -3.661 17.519 0.631 1.00 0.00 O ATOM 0 H ASP A 37 -0.550 13.932 -0.182 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.369 15.265 -1.591 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -2.564 15.294 0.761 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.960 15.962 0.989 1.00 0.00 H new ATOM 551 N LEU A 38 0.326 17.181 -1.434 1.00 0.00 N ATOM 552 CA LEU A 38 0.999 18.309 -2.069 1.00 0.00 C ATOM 553 C LEU A 38 0.950 18.186 -3.589 1.00 0.00 C ATOM 554 O LEU A 38 0.552 19.121 -4.284 1.00 0.00 O ATOM 555 CB LEU A 38 2.453 18.391 -1.600 1.00 0.00 C ATOM 556 CG LEU A 38 2.696 19.163 -0.303 1.00 0.00 C ATOM 557 CD1 LEU A 38 4.042 18.787 0.297 1.00 0.00 C ATOM 558 CD2 LEU A 38 2.622 20.662 -0.553 1.00 0.00 C ATOM 0 H LEU A 38 0.860 16.738 -0.686 1.00 0.00 H new ATOM 0 HA LEU A 38 0.478 19.221 -1.779 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.830 17.376 -1.472 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.044 18.853 -2.391 1.00 0.00 H new ATOM 0 HG LEU A 38 1.916 18.895 0.409 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.198 19.346 1.220 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.058 17.719 0.513 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.836 19.026 -0.411 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.797 21.196 0.381 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.381 20.947 -1.282 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.635 20.918 -0.938 1.00 0.00 H new ATOM 570 N ALA A 39 1.354 17.027 -4.098 1.00 0.00 N ATOM 571 CA ALA A 39 1.352 16.781 -5.534 1.00 0.00 C ATOM 572 C ALA A 39 0.052 17.259 -6.171 1.00 0.00 C ATOM 573 O ALA A 39 0.066 18.048 -7.115 1.00 0.00 O ATOM 574 CB ALA A 39 1.568 15.301 -5.817 1.00 0.00 C ATOM 0 H ALA A 39 1.687 16.243 -3.536 1.00 0.00 H new ATOM 0 HA ALA A 39 2.172 17.347 -5.975 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.564 15.132 -6.894 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.527 14.988 -5.404 1.00 0.00 H new ATOM 0 HB3 ALA A 39 0.768 14.722 -5.356 1.00 0.00 H new ATOM 580 N GLU A 40 -1.071 16.775 -5.649 1.00 0.00 N ATOM 581 CA GLU A 40 -2.380 17.152 -6.169 1.00 0.00 C ATOM 582 C GLU A 40 -2.704 18.604 -5.826 1.00 0.00 C ATOM 583 O GLU A 40 -2.876 19.438 -6.713 1.00 0.00 O ATOM 584 CB GLU A 40 -3.463 16.230 -5.606 1.00 0.00 C ATOM 585 CG GLU A 40 -3.251 14.764 -5.946 1.00 0.00 C ATOM 586 CD GLU A 40 -4.496 13.928 -5.724 1.00 0.00 C ATOM 587 OE1 GLU A 40 -5.610 14.466 -5.897 1.00 0.00 O ATOM 588 OE2 GLU A 40 -4.357 12.737 -5.376 1.00 0.00 O ATOM 0 H GLU A 40 -1.100 16.121 -4.867 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.354 17.049 -7.254 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.496 16.342 -4.522 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.433 16.547 -5.989 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -2.941 14.678 -6.987 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.438 14.368 -5.337 1.00 0.00 H new ATOM 595 N GLU A 41 -2.785 18.895 -4.531 1.00 0.00 N ATOM 596 CA GLU A 41 -3.090 20.245 -4.071 1.00 0.00 C ATOM 597 C GLU A 41 -2.471 21.288 -4.997 1.00 0.00 C ATOM 598 O GLU A 41 -3.136 22.237 -5.413 1.00 0.00 O ATOM 599 CB GLU A 41 -2.579 20.448 -2.643 1.00 0.00 C ATOM 600 CG GLU A 41 -3.523 19.917 -1.577 1.00 0.00 C ATOM 601 CD GLU A 41 -4.923 20.486 -1.703 1.00 0.00 C ATOM 602 OE1 GLU A 41 -5.698 19.974 -2.538 1.00 0.00 O ATOM 603 OE2 GLU A 41 -5.244 21.442 -0.967 1.00 0.00 O ATOM 0 H GLU A 41 -2.644 18.216 -3.783 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.173 20.370 -4.084 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.612 19.955 -2.539 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.414 21.512 -2.473 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.569 18.830 -1.646 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.124 20.157 -0.591 1.00 0.00 H new ATOM 610 N ARG A 42 -1.194 21.105 -5.315 1.00 0.00 N ATOM 611 CA ARG A 42 -0.484 22.031 -6.190 1.00 0.00 C ATOM 612 C ARG A 42 -0.656 21.636 -7.654 1.00 0.00 C ATOM 613 O ARG A 42 -1.153 22.417 -8.464 1.00 0.00 O ATOM 614 CB ARG A 42 1.003 22.067 -5.832 1.00 0.00 C ATOM 615 CG ARG A 42 1.305 22.851 -4.565 1.00 0.00 C ATOM 616 CD ARG A 42 2.692 23.473 -4.613 1.00 0.00 C ATOM 617 NE ARG A 42 2.803 24.484 -5.661 1.00 0.00 N ATOM 618 CZ ARG A 42 3.957 25.011 -6.054 1.00 0.00 C ATOM 619 NH1 ARG A 42 5.093 24.624 -5.491 1.00 0.00 N ATOM 620 NH2 ARG A 42 3.976 25.927 -7.015 1.00 0.00 N ATOM 0 H ARG A 42 -0.630 20.324 -4.980 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.909 23.024 -6.047 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.364 21.046 -5.712 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.557 22.506 -6.662 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.558 23.634 -4.433 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.231 22.191 -3.701 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.920 23.925 -3.648 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.434 22.692 -4.783 1.00 0.00 H new ATOM 0 HE ARG A 42 1.948 24.803 -6.116 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.083 23.919 -4.754 1.00 0.00 H new ATOM 0 HH12 ARG A 42 5.977 25.031 -5.795 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.104 26.226 -7.452 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.862 26.332 -7.317 1.00 0.00 H new ATOM 634 N GLY A 43 -0.241 20.416 -7.985 1.00 0.00 N ATOM 635 CA GLY A 43 -0.357 19.939 -9.350 1.00 0.00 C ATOM 636 C GLY A 43 0.970 19.475 -9.917 1.00 0.00 C ATOM 637 O GLY A 43 1.305 19.779 -11.063 1.00 0.00 O ATOM 0 H GLY A 43 0.173 19.751 -7.332 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -1.071 19.116 -9.385 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.758 20.735 -9.977 1.00 0.00 H new ATOM 641 N LEU A 44 1.729 18.738 -9.114 1.00 0.00 N ATOM 642 CA LEU A 44 3.029 18.232 -9.541 1.00 0.00 C ATOM 643 C LEU A 44 2.929 16.774 -9.977 1.00 0.00 C ATOM 644 O LEU A 44 1.986 16.070 -9.617 1.00 0.00 O ATOM 645 CB LEU A 44 4.048 18.369 -8.409 1.00 0.00 C ATOM 646 CG LEU A 44 4.203 19.767 -7.810 1.00 0.00 C ATOM 647 CD1 LEU A 44 4.834 19.689 -6.428 1.00 0.00 C ATOM 648 CD2 LEU A 44 5.032 20.652 -8.728 1.00 0.00 C ATOM 0 H LEU A 44 1.467 18.477 -8.163 1.00 0.00 H new ATOM 0 HA LEU A 44 3.360 18.825 -10.394 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.768 17.682 -7.610 1.00 0.00 H new ATOM 0 HB3 LEU A 44 5.020 18.045 -8.781 1.00 0.00 H new ATOM 0 HG LEU A 44 3.212 20.210 -7.710 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.936 20.694 -6.018 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.201 19.092 -5.772 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.818 19.226 -6.503 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.132 21.643 -8.285 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.021 20.213 -8.861 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.538 20.735 -9.696 1.00 0.00 H new ATOM 660 N LYS A 45 3.909 16.326 -10.754 1.00 0.00 N ATOM 661 CA LYS A 45 3.935 14.950 -11.237 1.00 0.00 C ATOM 662 C LYS A 45 4.837 14.084 -10.365 1.00 0.00 C ATOM 663 O LYS A 45 5.361 13.065 -10.817 1.00 0.00 O ATOM 664 CB LYS A 45 4.418 14.907 -12.689 1.00 0.00 C ATOM 665 CG LYS A 45 4.103 16.170 -13.473 1.00 0.00 C ATOM 666 CD LYS A 45 4.838 16.199 -14.802 1.00 0.00 C ATOM 667 CE LYS A 45 5.045 17.623 -15.293 1.00 0.00 C ATOM 668 NZ LYS A 45 6.198 17.725 -16.230 1.00 0.00 N ATOM 0 H LYS A 45 4.696 16.896 -11.063 1.00 0.00 H new ATOM 0 HA LYS A 45 2.921 14.554 -11.185 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.495 14.742 -12.700 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.960 14.054 -13.190 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.029 16.232 -13.649 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.380 17.044 -12.884 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.804 15.706 -14.696 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.272 15.636 -15.544 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.140 17.970 -15.792 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.211 18.281 -14.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.306 18.711 -16.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.066 17.418 -15.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.028 17.117 -17.057 1.00 0.00 H new ATOM 682 N ILE A 46 5.013 14.493 -9.113 1.00 0.00 N ATOM 683 CA ILE A 46 5.849 13.752 -8.177 1.00 0.00 C ATOM 684 C ILE A 46 5.779 12.253 -8.446 1.00 0.00 C ATOM 685 O ILE A 46 4.695 11.683 -8.572 1.00 0.00 O ATOM 686 CB ILE A 46 5.435 14.021 -6.718 1.00 0.00 C ATOM 687 CG1 ILE A 46 5.554 15.512 -6.397 1.00 0.00 C ATOM 688 CG2 ILE A 46 6.291 13.199 -5.766 1.00 0.00 C ATOM 689 CD1 ILE A 46 5.534 15.815 -4.916 1.00 0.00 C ATOM 0 H ILE A 46 4.587 15.334 -8.723 1.00 0.00 H new ATOM 0 HA ILE A 46 6.872 14.098 -8.325 1.00 0.00 H new ATOM 0 HB ILE A 46 4.394 13.724 -6.590 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.480 15.895 -6.825 1.00 0.00 H new ATOM 0 HG13 ILE A 46 4.735 16.046 -6.880 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.987 13.399 -4.739 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.161 12.139 -5.983 1.00 0.00 H new ATOM 0 HG23 ILE A 46 7.339 13.469 -5.894 1.00 0.00 H new ATOM 0 HD11 ILE A 46 5.622 16.891 -4.763 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.597 15.463 -4.485 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.369 15.310 -4.430 1.00 0.00 H new ATOM 701 N THR A 47 6.944 11.618 -8.532 1.00 0.00 N ATOM 702 CA THR A 47 7.016 10.184 -8.785 1.00 0.00 C ATOM 703 C THR A 47 7.123 9.401 -7.482 1.00 0.00 C ATOM 704 O THR A 47 7.954 9.708 -6.627 1.00 0.00 O ATOM 705 CB THR A 47 8.218 9.832 -9.683 1.00 0.00 C ATOM 706 OG1 THR A 47 8.311 10.765 -10.765 1.00 0.00 O ATOM 707 CG2 THR A 47 8.086 8.420 -10.233 1.00 0.00 C ATOM 0 H THR A 47 7.851 12.074 -8.430 1.00 0.00 H new ATOM 0 HA THR A 47 6.095 9.906 -9.298 1.00 0.00 H new ATOM 0 HB THR A 47 9.124 9.886 -9.079 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.078 10.535 -11.330 1.00 0.00 H new ATOM 0 HG21 THR A 47 8.945 8.193 -10.864 1.00 0.00 H new ATOM 0 HG22 THR A 47 8.045 7.710 -9.407 1.00 0.00 H new ATOM 0 HG23 THR A 47 7.173 8.343 -10.823 1.00 0.00 H new ATOM 715 N TYR A 48 6.278 8.386 -7.336 1.00 0.00 N ATOM 716 CA TYR A 48 6.276 7.559 -6.136 1.00 0.00 C ATOM 717 C TYR A 48 7.143 6.319 -6.328 1.00 0.00 C ATOM 718 O TYR A 48 7.056 5.637 -7.349 1.00 0.00 O ATOM 719 CB TYR A 48 4.847 7.146 -5.778 1.00 0.00 C ATOM 720 CG TYR A 48 3.837 8.260 -5.937 1.00 0.00 C ATOM 721 CD1 TYR A 48 3.798 9.322 -5.042 1.00 0.00 C ATOM 722 CD2 TYR A 48 2.921 8.250 -6.981 1.00 0.00 C ATOM 723 CE1 TYR A 48 2.876 10.341 -5.182 1.00 0.00 C ATOM 724 CE2 TYR A 48 1.997 9.265 -7.131 1.00 0.00 C ATOM 725 CZ TYR A 48 1.978 10.309 -6.229 1.00 0.00 C ATOM 726 OH TYR A 48 1.058 11.322 -6.374 1.00 0.00 O ATOM 0 H TYR A 48 5.585 8.117 -8.035 1.00 0.00 H new ATOM 0 HA TYR A 48 6.692 8.148 -5.319 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.552 6.307 -6.408 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.827 6.793 -4.747 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.501 9.351 -4.223 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.932 7.434 -7.688 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.858 11.158 -4.476 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.293 9.242 -7.950 1.00 0.00 H new ATOM 0 HH TYR A 48 0.501 11.148 -7.162 1.00 0.00 H new ATOM 736 N LYS A 49 7.980 6.031 -5.337 1.00 0.00 N ATOM 737 CA LYS A 49 8.864 4.872 -5.393 1.00 0.00 C ATOM 738 C LYS A 49 8.587 3.921 -4.233 1.00 0.00 C ATOM 739 O LYS A 49 8.116 4.338 -3.174 1.00 0.00 O ATOM 740 CB LYS A 49 10.327 5.319 -5.362 1.00 0.00 C ATOM 741 CG LYS A 49 11.314 4.182 -5.566 1.00 0.00 C ATOM 742 CD LYS A 49 12.654 4.691 -6.071 1.00 0.00 C ATOM 743 CE LYS A 49 13.801 3.818 -5.585 1.00 0.00 C ATOM 744 NZ LYS A 49 13.927 2.570 -6.387 1.00 0.00 N ATOM 0 H LYS A 49 8.065 6.585 -4.485 1.00 0.00 H new ATOM 0 HA LYS A 49 8.672 4.344 -6.327 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.485 6.070 -6.136 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.531 5.799 -4.405 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.457 3.650 -4.626 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.904 3.466 -6.278 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.649 4.713 -7.161 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.806 5.716 -5.732 1.00 0.00 H new ATOM 0 HE2 LYS A 49 14.733 4.380 -5.639 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.644 3.562 -4.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.720 2.003 -6.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.047 2.021 -6.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 14.103 2.813 -7.383 1.00 0.00 H new ATOM 758 N TYR A 50 8.883 2.643 -4.439 1.00 0.00 N ATOM 759 CA TYR A 50 8.665 1.632 -3.411 1.00 0.00 C ATOM 760 C TYR A 50 9.903 0.759 -3.234 1.00 0.00 C ATOM 761 O TYR A 50 10.265 -0.015 -4.122 1.00 0.00 O ATOM 762 CB TYR A 50 7.460 0.761 -3.769 1.00 0.00 C ATOM 763 CG TYR A 50 6.170 1.539 -3.904 1.00 0.00 C ATOM 764 CD1 TYR A 50 6.047 2.561 -4.837 1.00 0.00 C ATOM 765 CD2 TYR A 50 5.075 1.252 -3.098 1.00 0.00 C ATOM 766 CE1 TYR A 50 4.871 3.274 -4.964 1.00 0.00 C ATOM 767 CE2 TYR A 50 3.895 1.959 -3.219 1.00 0.00 C ATOM 768 CZ TYR A 50 3.797 2.969 -4.153 1.00 0.00 C ATOM 769 OH TYR A 50 2.624 3.677 -4.276 1.00 0.00 O ATOM 0 H TYR A 50 9.275 2.282 -5.309 1.00 0.00 H new ATOM 0 HA TYR A 50 8.467 2.145 -2.470 1.00 0.00 H new ATOM 0 HB2 TYR A 50 7.662 0.243 -4.707 1.00 0.00 H new ATOM 0 HB3 TYR A 50 7.335 -0.004 -3.003 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.885 2.802 -5.474 1.00 0.00 H new ATOM 0 HD2 TYR A 50 5.148 0.463 -2.365 1.00 0.00 H new ATOM 0 HE1 TYR A 50 4.792 4.066 -5.694 1.00 0.00 H new ATOM 0 HE2 TYR A 50 3.053 1.722 -2.585 1.00 0.00 H new ATOM 0 HH TYR A 50 1.903 3.198 -3.817 1.00 0.00 H new ATOM 779 N THR A 51 10.551 0.887 -2.080 1.00 0.00 N ATOM 780 CA THR A 51 11.749 0.112 -1.785 1.00 0.00 C ATOM 781 C THR A 51 11.594 -0.664 -0.482 1.00 0.00 C ATOM 782 O THR A 51 11.232 -0.099 0.549 1.00 0.00 O ATOM 783 CB THR A 51 12.993 1.014 -1.688 1.00 0.00 C ATOM 784 OG1 THR A 51 12.859 1.916 -0.584 1.00 0.00 O ATOM 785 CG2 THR A 51 13.191 1.803 -2.973 1.00 0.00 C ATOM 0 H THR A 51 10.265 1.521 -1.334 1.00 0.00 H new ATOM 0 HA THR A 51 11.883 -0.589 -2.609 1.00 0.00 H new ATOM 0 HB THR A 51 13.865 0.378 -1.533 1.00 0.00 H new ATOM 0 HG1 THR A 51 12.088 1.654 -0.039 1.00 0.00 H new ATOM 0 HG21 THR A 51 14.076 2.433 -2.881 1.00 0.00 H new ATOM 0 HG22 THR A 51 13.322 1.113 -3.807 1.00 0.00 H new ATOM 0 HG23 THR A 51 12.317 2.429 -3.154 1.00 0.00 H new ATOM 793 N GLY A 52 11.873 -1.963 -0.535 1.00 0.00 N ATOM 794 CA GLY A 52 11.760 -2.795 0.649 1.00 0.00 C ATOM 795 C GLY A 52 11.756 -4.275 0.320 1.00 0.00 C ATOM 796 O GLY A 52 12.000 -4.665 -0.822 1.00 0.00 O ATOM 0 H GLY A 52 12.175 -2.454 -1.376 1.00 0.00 H new ATOM 0 HA2 GLY A 52 12.589 -2.578 1.322 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.843 -2.542 1.181 1.00 0.00 H new ATOM 800 N LYS A 53 11.479 -5.101 1.322 1.00 0.00 N ATOM 801 CA LYS A 53 11.444 -6.547 1.135 1.00 0.00 C ATOM 802 C LYS A 53 10.566 -6.921 -0.055 1.00 0.00 C ATOM 803 O LYS A 53 9.356 -6.700 -0.040 1.00 0.00 O ATOM 804 CB LYS A 53 10.925 -7.234 2.401 1.00 0.00 C ATOM 805 CG LYS A 53 10.839 -8.745 2.281 1.00 0.00 C ATOM 806 CD LYS A 53 10.142 -9.361 3.482 1.00 0.00 C ATOM 807 CE LYS A 53 11.131 -9.707 4.585 1.00 0.00 C ATOM 808 NZ LYS A 53 11.677 -11.083 4.428 1.00 0.00 N ATOM 0 H LYS A 53 11.275 -4.794 2.273 1.00 0.00 H new ATOM 0 HA LYS A 53 12.460 -6.887 0.935 1.00 0.00 H new ATOM 0 HB2 LYS A 53 11.579 -6.981 3.236 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.937 -6.840 2.639 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.299 -9.008 1.371 1.00 0.00 H new ATOM 0 HG3 LYS A 53 11.842 -9.161 2.188 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.395 -8.666 3.866 1.00 0.00 H new ATOM 0 HD3 LYS A 53 9.611 -10.261 3.173 1.00 0.00 H new ATOM 0 HE2 LYS A 53 11.950 -8.988 4.577 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.640 -9.620 5.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.347 -11.281 5.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.898 -11.771 4.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.168 -11.159 3.514 1.00 0.00 H new ATOM 822 N GLY A 54 11.184 -7.490 -1.086 1.00 0.00 N ATOM 823 CA GLY A 54 10.443 -7.886 -2.269 1.00 0.00 C ATOM 824 C GLY A 54 10.914 -7.166 -3.516 1.00 0.00 C ATOM 825 O GLY A 54 10.937 -7.743 -4.603 1.00 0.00 O ATOM 0 H GLY A 54 12.185 -7.684 -1.123 1.00 0.00 H new ATOM 0 HA2 GLY A 54 10.544 -8.962 -2.414 1.00 0.00 H new ATOM 0 HA3 GLY A 54 9.383 -7.683 -2.115 1.00 0.00 H new ATOM 829 N ILE A 55 11.290 -5.901 -3.361 1.00 0.00 N ATOM 830 CA ILE A 55 11.762 -5.101 -4.484 1.00 0.00 C ATOM 831 C ILE A 55 13.278 -4.943 -4.448 1.00 0.00 C ATOM 832 O ILE A 55 13.956 -5.113 -5.462 1.00 0.00 O ATOM 833 CB ILE A 55 11.112 -3.705 -4.494 1.00 0.00 C ATOM 834 CG1 ILE A 55 9.590 -3.826 -4.394 1.00 0.00 C ATOM 835 CG2 ILE A 55 11.506 -2.946 -5.752 1.00 0.00 C ATOM 836 CD1 ILE A 55 8.906 -2.538 -3.994 1.00 0.00 C ATOM 0 H ILE A 55 11.277 -5.408 -2.468 1.00 0.00 H new ATOM 0 HA ILE A 55 11.476 -5.632 -5.392 1.00 0.00 H new ATOM 0 HB ILE A 55 11.471 -3.148 -3.629 1.00 0.00 H new ATOM 0 HG12 ILE A 55 9.196 -4.154 -5.356 1.00 0.00 H new ATOM 0 HG13 ILE A 55 9.342 -4.600 -3.668 1.00 0.00 H new ATOM 0 HG21 ILE A 55 11.039 -1.961 -5.744 1.00 0.00 H new ATOM 0 HG22 ILE A 55 12.590 -2.833 -5.784 1.00 0.00 H new ATOM 0 HG23 ILE A 55 11.172 -3.499 -6.630 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.829 -2.699 -3.943 1.00 0.00 H new ATOM 0 HD12 ILE A 55 9.272 -2.220 -3.018 1.00 0.00 H new ATOM 0 HD13 ILE A 55 9.123 -1.766 -4.732 1.00 0.00 H new ATOM 848 N THR A 56 13.806 -4.618 -3.272 1.00 0.00 N ATOM 849 CA THR A 56 15.242 -4.438 -3.103 1.00 0.00 C ATOM 850 C THR A 56 15.903 -5.720 -2.610 1.00 0.00 C ATOM 851 O THR A 56 16.991 -6.080 -3.058 1.00 0.00 O ATOM 852 CB THR A 56 15.553 -3.300 -2.112 1.00 0.00 C ATOM 853 OG1 THR A 56 14.899 -3.547 -0.862 1.00 0.00 O ATOM 854 CG2 THR A 56 15.102 -1.959 -2.669 1.00 0.00 C ATOM 0 H THR A 56 13.260 -4.474 -2.422 1.00 0.00 H new ATOM 0 HA THR A 56 15.645 -4.178 -4.082 1.00 0.00 H new ATOM 0 HB THR A 56 16.632 -3.267 -1.958 1.00 0.00 H new ATOM 0 HG1 THR A 56 15.103 -2.820 -0.237 1.00 0.00 H new ATOM 0 HG21 THR A 56 15.332 -1.171 -1.952 1.00 0.00 H new ATOM 0 HG22 THR A 56 15.623 -1.760 -3.606 1.00 0.00 H new ATOM 0 HG23 THR A 56 14.027 -1.983 -2.849 1.00 0.00 H new ATOM 862 N GLU A 57 15.238 -6.406 -1.685 1.00 0.00 N ATOM 863 CA GLU A 57 15.762 -7.649 -1.132 1.00 0.00 C ATOM 864 C GLU A 57 14.854 -8.825 -1.479 1.00 0.00 C ATOM 865 O GLU A 57 13.640 -8.682 -1.625 1.00 0.00 O ATOM 866 CB GLU A 57 15.910 -7.535 0.387 1.00 0.00 C ATOM 867 CG GLU A 57 17.144 -6.764 0.822 1.00 0.00 C ATOM 868 CD GLU A 57 17.446 -6.931 2.299 1.00 0.00 C ATOM 869 OE1 GLU A 57 17.030 -7.956 2.878 1.00 0.00 O ATOM 870 OE2 GLU A 57 18.099 -6.036 2.876 1.00 0.00 O ATOM 0 H GLU A 57 14.336 -6.122 -1.303 1.00 0.00 H new ATOM 0 HA GLU A 57 16.743 -7.828 -1.573 1.00 0.00 H new ATOM 0 HB2 GLU A 57 15.025 -7.047 0.794 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.948 -8.536 0.816 1.00 0.00 H new ATOM 0 HG2 GLU A 57 18.002 -7.100 0.239 1.00 0.00 H new ATOM 0 HG3 GLU A 57 17.003 -5.706 0.601 1.00 0.00 H new ATOM 877 N PRO A 58 15.455 -10.016 -1.615 1.00 0.00 N ATOM 878 CA PRO A 58 14.720 -11.240 -1.947 1.00 0.00 C ATOM 879 C PRO A 58 13.830 -11.711 -0.801 1.00 0.00 C ATOM 880 O PRO A 58 14.035 -11.358 0.361 1.00 0.00 O ATOM 881 CB PRO A 58 15.830 -12.259 -2.214 1.00 0.00 C ATOM 882 CG PRO A 58 16.998 -11.760 -1.436 1.00 0.00 C ATOM 883 CD PRO A 58 16.898 -10.260 -1.456 1.00 0.00 C ATOM 0 HA PRO A 58 14.045 -11.093 -2.790 1.00 0.00 H new ATOM 0 HB2 PRO A 58 15.537 -13.258 -1.891 1.00 0.00 H new ATOM 0 HB3 PRO A 58 16.061 -12.323 -3.277 1.00 0.00 H new ATOM 0 HG2 PRO A 58 16.977 -12.139 -0.414 1.00 0.00 H new ATOM 0 HG3 PRO A 58 17.935 -12.095 -1.881 1.00 0.00 H new ATOM 0 HD2 PRO A 58 17.281 -9.820 -0.535 1.00 0.00 H new ATOM 0 HD3 PRO A 58 17.471 -9.830 -2.277 1.00 0.00 H new ATOM 891 N PRO A 59 12.818 -12.526 -1.133 1.00 0.00 N ATOM 892 CA PRO A 59 12.565 -12.952 -2.513 1.00 0.00 C ATOM 893 C PRO A 59 12.061 -11.810 -3.388 1.00 0.00 C ATOM 894 O PRO A 59 11.291 -10.962 -2.938 1.00 0.00 O ATOM 895 CB PRO A 59 11.484 -14.026 -2.359 1.00 0.00 C ATOM 896 CG PRO A 59 10.792 -13.687 -1.084 1.00 0.00 C ATOM 897 CD PRO A 59 11.844 -13.095 -0.187 1.00 0.00 C ATOM 0 HA PRO A 59 13.471 -13.307 -3.004 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.791 -14.014 -3.201 1.00 0.00 H new ATOM 0 HB3 PRO A 59 11.920 -15.024 -2.319 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.982 -12.978 -1.256 1.00 0.00 H new ATOM 0 HG3 PRO A 59 10.349 -14.575 -0.633 1.00 0.00 H new ATOM 0 HD2 PRO A 59 11.428 -12.331 0.470 1.00 0.00 H new ATOM 0 HD3 PRO A 59 12.299 -13.852 0.452 1.00 0.00 H new ATOM 905 N PHE A 60 12.499 -11.795 -4.643 1.00 0.00 N ATOM 906 CA PHE A 60 12.093 -10.756 -5.582 1.00 0.00 C ATOM 907 C PHE A 60 10.872 -11.197 -6.385 1.00 0.00 C ATOM 908 O PHE A 60 10.396 -12.322 -6.244 1.00 0.00 O ATOM 909 CB PHE A 60 13.245 -10.416 -6.529 1.00 0.00 C ATOM 910 CG PHE A 60 14.427 -9.800 -5.838 1.00 0.00 C ATOM 911 CD1 PHE A 60 15.395 -10.597 -5.248 1.00 0.00 C ATOM 912 CD2 PHE A 60 14.571 -8.423 -5.778 1.00 0.00 C ATOM 913 CE1 PHE A 60 16.484 -10.034 -4.611 1.00 0.00 C ATOM 914 CE2 PHE A 60 15.659 -7.854 -5.143 1.00 0.00 C ATOM 915 CZ PHE A 60 16.616 -8.660 -4.558 1.00 0.00 C ATOM 0 H PHE A 60 13.135 -12.491 -5.033 1.00 0.00 H new ATOM 0 HA PHE A 60 11.829 -9.867 -5.010 1.00 0.00 H new ATOM 0 HB2 PHE A 60 13.565 -11.324 -7.039 1.00 0.00 H new ATOM 0 HB3 PHE A 60 12.884 -9.730 -7.295 1.00 0.00 H new ATOM 0 HD1 PHE A 60 15.297 -11.672 -5.287 1.00 0.00 H new ATOM 0 HD2 PHE A 60 13.825 -7.788 -6.232 1.00 0.00 H new ATOM 0 HE1 PHE A 60 17.231 -10.667 -4.155 1.00 0.00 H new ATOM 0 HE2 PHE A 60 15.761 -6.779 -5.104 1.00 0.00 H new ATOM 0 HZ PHE A 60 17.466 -8.217 -4.060 1.00 0.00 H new ATOM 925 N GLY A 61 10.371 -10.300 -7.229 1.00 0.00 N ATOM 926 CA GLY A 61 9.210 -10.613 -8.042 1.00 0.00 C ATOM 927 C GLY A 61 7.931 -10.666 -7.230 1.00 0.00 C ATOM 928 O GLY A 61 7.076 -11.520 -7.463 1.00 0.00 O ATOM 0 H GLY A 61 10.748 -9.362 -7.364 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.107 -9.864 -8.827 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.364 -11.573 -8.535 1.00 0.00 H new ATOM 932 N ILE A 62 7.801 -9.753 -6.274 1.00 0.00 N ATOM 933 CA ILE A 62 6.617 -9.700 -5.425 1.00 0.00 C ATOM 934 C ILE A 62 5.849 -8.399 -5.633 1.00 0.00 C ATOM 935 O ILE A 62 4.620 -8.395 -5.699 1.00 0.00 O ATOM 936 CB ILE A 62 6.986 -9.832 -3.936 1.00 0.00 C ATOM 937 CG1 ILE A 62 7.710 -11.157 -3.683 1.00 0.00 C ATOM 938 CG2 ILE A 62 5.739 -9.731 -3.070 1.00 0.00 C ATOM 939 CD1 ILE A 62 8.177 -11.327 -2.255 1.00 0.00 C ATOM 0 H ILE A 62 8.501 -9.040 -6.068 1.00 0.00 H new ATOM 0 HA ILE A 62 5.986 -10.542 -5.711 1.00 0.00 H new ATOM 0 HB ILE A 62 7.657 -9.015 -3.670 1.00 0.00 H new ATOM 0 HG12 ILE A 62 7.044 -11.981 -3.939 1.00 0.00 H new ATOM 0 HG13 ILE A 62 8.571 -11.224 -4.349 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.016 -9.826 -2.020 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.260 -8.765 -3.233 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.046 -10.529 -3.336 1.00 0.00 H new ATOM 0 HD11 ILE A 62 8.681 -12.288 -2.149 1.00 0.00 H new ATOM 0 HD12 ILE A 62 8.869 -10.524 -2.000 1.00 0.00 H new ATOM 0 HD13 ILE A 62 7.318 -11.292 -1.585 1.00 0.00 H new ATOM 951 N PHE A 63 6.583 -7.295 -5.737 1.00 0.00 N ATOM 952 CA PHE A 63 5.971 -5.987 -5.939 1.00 0.00 C ATOM 953 C PHE A 63 6.579 -5.283 -7.148 1.00 0.00 C ATOM 954 O PHE A 63 7.794 -5.302 -7.346 1.00 0.00 O ATOM 955 CB PHE A 63 6.145 -5.121 -4.689 1.00 0.00 C ATOM 956 CG PHE A 63 5.576 -5.742 -3.446 1.00 0.00 C ATOM 957 CD1 PHE A 63 4.232 -6.070 -3.372 1.00 0.00 C ATOM 958 CD2 PHE A 63 6.385 -5.998 -2.351 1.00 0.00 C ATOM 959 CE1 PHE A 63 3.706 -6.641 -2.228 1.00 0.00 C ATOM 960 CE2 PHE A 63 5.865 -6.570 -1.204 1.00 0.00 C ATOM 961 CZ PHE A 63 4.523 -6.892 -1.144 1.00 0.00 C ATOM 0 H PHE A 63 7.602 -7.281 -5.685 1.00 0.00 H new ATOM 0 HA PHE A 63 4.907 -6.136 -6.125 1.00 0.00 H new ATOM 0 HB2 PHE A 63 7.207 -4.928 -4.536 1.00 0.00 H new ATOM 0 HB3 PHE A 63 5.666 -4.156 -4.856 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.588 -5.878 -4.217 1.00 0.00 H new ATOM 0 HD2 PHE A 63 7.435 -5.748 -2.393 1.00 0.00 H new ATOM 0 HE1 PHE A 63 2.656 -6.891 -2.182 1.00 0.00 H new ATOM 0 HE2 PHE A 63 6.507 -6.764 -0.357 1.00 0.00 H new ATOM 0 HZ PHE A 63 4.114 -7.339 -0.250 1.00 0.00 H new ATOM 971 N VAL A 64 5.725 -4.661 -7.955 1.00 0.00 N ATOM 972 CA VAL A 64 6.177 -3.950 -9.145 1.00 0.00 C ATOM 973 C VAL A 64 5.300 -2.735 -9.425 1.00 0.00 C ATOM 974 O VAL A 64 4.073 -2.833 -9.446 1.00 0.00 O ATOM 975 CB VAL A 64 6.175 -4.867 -10.382 1.00 0.00 C ATOM 976 CG1 VAL A 64 7.081 -6.068 -10.158 1.00 0.00 C ATOM 977 CG2 VAL A 64 4.758 -5.312 -10.712 1.00 0.00 C ATOM 0 H VAL A 64 4.716 -4.635 -7.806 1.00 0.00 H new ATOM 0 HA VAL A 64 7.197 -3.621 -8.948 1.00 0.00 H new ATOM 0 HB VAL A 64 6.562 -4.304 -11.231 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.067 -6.705 -11.043 1.00 0.00 H new ATOM 0 HG12 VAL A 64 8.099 -5.726 -9.973 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.727 -6.635 -9.297 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.775 -5.959 -11.589 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.342 -5.858 -9.866 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.141 -4.438 -10.918 1.00 0.00 H new ATOM 987 N PHE A 65 5.937 -1.589 -9.640 1.00 0.00 N ATOM 988 CA PHE A 65 5.215 -0.353 -9.919 1.00 0.00 C ATOM 989 C PHE A 65 5.716 0.290 -11.209 1.00 0.00 C ATOM 990 O PHE A 65 6.890 0.174 -11.558 1.00 0.00 O ATOM 991 CB PHE A 65 5.369 0.627 -8.754 1.00 0.00 C ATOM 992 CG PHE A 65 6.793 1.024 -8.490 1.00 0.00 C ATOM 993 CD1 PHE A 65 7.692 0.116 -7.954 1.00 0.00 C ATOM 994 CD2 PHE A 65 7.233 2.306 -8.777 1.00 0.00 C ATOM 995 CE1 PHE A 65 9.002 0.480 -7.708 1.00 0.00 C ATOM 996 CE2 PHE A 65 8.543 2.676 -8.535 1.00 0.00 C ATOM 997 CZ PHE A 65 9.429 1.761 -8.001 1.00 0.00 C ATOM 0 H PHE A 65 6.952 -1.490 -9.626 1.00 0.00 H new ATOM 0 HA PHE A 65 4.160 -0.598 -10.042 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.783 1.522 -8.963 1.00 0.00 H new ATOM 0 HB3 PHE A 65 4.953 0.176 -7.853 1.00 0.00 H new ATOM 0 HD1 PHE A 65 7.365 -0.888 -7.726 1.00 0.00 H new ATOM 0 HD2 PHE A 65 6.544 3.025 -9.195 1.00 0.00 H new ATOM 0 HE1 PHE A 65 9.692 -0.236 -7.287 1.00 0.00 H new ATOM 0 HE2 PHE A 65 8.873 3.679 -8.763 1.00 0.00 H new ATOM 0 HZ PHE A 65 10.454 2.046 -7.813 1.00 0.00 H new ATOM 1007 N ASN A 66 4.816 0.970 -11.913 1.00 0.00 N ATOM 1008 CA ASN A 66 5.165 1.631 -13.165 1.00 0.00 C ATOM 1009 C ASN A 66 5.563 3.083 -12.920 1.00 0.00 C ATOM 1010 O ASN A 66 5.713 3.865 -13.860 1.00 0.00 O ATOM 1011 CB ASN A 66 3.991 1.570 -14.143 1.00 0.00 C ATOM 1012 CG ASN A 66 4.251 2.363 -15.409 1.00 0.00 C ATOM 1013 OD1 ASN A 66 5.396 2.523 -15.831 1.00 0.00 O ATOM 1014 ND2 ASN A 66 3.185 2.866 -16.022 1.00 0.00 N ATOM 0 H ASN A 66 3.840 1.077 -11.637 1.00 0.00 H new ATOM 0 HA ASN A 66 6.017 1.107 -13.599 1.00 0.00 H new ATOM 0 HB2 ASN A 66 3.792 0.530 -14.403 1.00 0.00 H new ATOM 0 HB3 ASN A 66 3.095 1.953 -13.655 1.00 0.00 H new ATOM 0 HD21 ASN A 66 3.298 3.409 -16.878 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.254 2.709 -15.637 1.00 0.00 H new ATOM 1021 N LYS A 67 5.734 3.439 -11.651 1.00 0.00 N ATOM 1022 CA LYS A 67 6.116 4.796 -11.281 1.00 0.00 C ATOM 1023 C LYS A 67 5.458 5.817 -12.203 1.00 0.00 C ATOM 1024 O LYS A 67 6.090 6.787 -12.623 1.00 0.00 O ATOM 1025 CB LYS A 67 7.638 4.952 -11.334 1.00 0.00 C ATOM 1026 CG LYS A 67 8.234 4.644 -12.697 1.00 0.00 C ATOM 1027 CD LYS A 67 9.750 4.749 -12.679 1.00 0.00 C ATOM 1028 CE LYS A 67 10.337 4.566 -14.069 1.00 0.00 C ATOM 1029 NZ LYS A 67 11.771 4.165 -14.018 1.00 0.00 N ATOM 0 H LYS A 67 5.614 2.805 -10.861 1.00 0.00 H new ATOM 0 HA LYS A 67 5.773 4.978 -10.262 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.900 5.972 -11.054 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.088 4.292 -10.592 1.00 0.00 H new ATOM 0 HG2 LYS A 67 7.941 3.640 -13.005 1.00 0.00 H new ATOM 0 HG3 LYS A 67 7.829 5.335 -13.437 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.044 5.721 -12.284 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.160 3.995 -12.007 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.767 3.808 -14.607 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.240 5.496 -14.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.134 4.050 -14.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.320 4.900 -13.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.862 3.265 -13.505 1.00 0.00 H new ATOM 1043 N ASP A 68 4.186 5.594 -12.513 1.00 0.00 N ATOM 1044 CA ASP A 68 3.441 6.497 -13.384 1.00 0.00 C ATOM 1045 C ASP A 68 2.126 6.917 -12.734 1.00 0.00 C ATOM 1046 O ASP A 68 1.884 8.102 -12.506 1.00 0.00 O ATOM 1047 CB ASP A 68 3.168 5.829 -14.732 1.00 0.00 C ATOM 1048 CG ASP A 68 4.368 5.880 -15.657 1.00 0.00 C ATOM 1049 OD1 ASP A 68 5.506 5.965 -15.150 1.00 0.00 O ATOM 1050 OD2 ASP A 68 4.169 5.833 -16.889 1.00 0.00 O ATOM 0 H ASP A 68 3.649 4.796 -12.174 1.00 0.00 H new ATOM 0 HA ASP A 68 4.046 7.389 -13.545 1.00 0.00 H new ATOM 0 HB2 ASP A 68 2.883 4.790 -14.568 1.00 0.00 H new ATOM 0 HB3 ASP A 68 2.321 6.320 -15.212 1.00 0.00 H new ATOM 1055 N THR A 69 1.278 5.936 -12.438 1.00 0.00 N ATOM 1056 CA THR A 69 -0.013 6.204 -11.817 1.00 0.00 C ATOM 1057 C THR A 69 0.026 5.914 -10.321 1.00 0.00 C ATOM 1058 O THR A 69 -0.497 6.683 -9.516 1.00 0.00 O ATOM 1059 CB THR A 69 -1.131 5.364 -12.462 1.00 0.00 C ATOM 1060 OG1 THR A 69 -0.927 3.975 -12.177 1.00 0.00 O ATOM 1061 CG2 THR A 69 -1.168 5.577 -13.968 1.00 0.00 C ATOM 0 H THR A 69 1.463 4.949 -12.619 1.00 0.00 H new ATOM 0 HA THR A 69 -0.226 7.261 -11.974 1.00 0.00 H new ATOM 0 HB THR A 69 -2.084 5.685 -12.042 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.643 3.448 -12.589 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.966 4.973 -14.401 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.352 6.630 -14.182 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.213 5.281 -14.401 1.00 0.00 H new ATOM 1069 N GLY A 70 0.652 4.799 -9.955 1.00 0.00 N ATOM 1070 CA GLY A 70 0.748 4.428 -8.555 1.00 0.00 C ATOM 1071 C GLY A 70 -0.113 3.228 -8.213 1.00 0.00 C ATOM 1072 O GLY A 70 -0.886 3.264 -7.256 1.00 0.00 O ATOM 0 H GLY A 70 1.094 4.147 -10.603 1.00 0.00 H new ATOM 0 HA2 GLY A 70 1.787 4.207 -8.311 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.449 5.274 -7.937 1.00 0.00 H new ATOM 1076 N GLU A 71 0.019 2.164 -8.998 1.00 0.00 N ATOM 1077 CA GLU A 71 -0.756 0.949 -8.773 1.00 0.00 C ATOM 1078 C GLU A 71 0.151 -0.206 -8.356 1.00 0.00 C ATOM 1079 O GLU A 71 0.539 -1.034 -9.181 1.00 0.00 O ATOM 1080 CB GLU A 71 -1.532 0.572 -10.037 1.00 0.00 C ATOM 1081 CG GLU A 71 -0.706 0.663 -11.309 1.00 0.00 C ATOM 1082 CD GLU A 71 -1.431 0.102 -12.517 1.00 0.00 C ATOM 1083 OE1 GLU A 71 -2.670 0.243 -12.582 1.00 0.00 O ATOM 1084 OE2 GLU A 71 -0.760 -0.477 -13.396 1.00 0.00 O ATOM 0 H GLU A 71 0.654 2.118 -9.795 1.00 0.00 H new ATOM 0 HA GLU A 71 -1.462 1.143 -7.966 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -1.910 -0.445 -9.931 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -2.399 1.226 -10.129 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -0.448 1.705 -11.496 1.00 0.00 H new ATOM 0 HG3 GLU A 71 0.231 0.123 -11.169 1.00 0.00 H new ATOM 1091 N LEU A 72 0.486 -0.253 -7.072 1.00 0.00 N ATOM 1092 CA LEU A 72 1.348 -1.305 -6.544 1.00 0.00 C ATOM 1093 C LEU A 72 0.654 -2.662 -6.612 1.00 0.00 C ATOM 1094 O LEU A 72 -0.107 -3.027 -5.717 1.00 0.00 O ATOM 1095 CB LEU A 72 1.741 -0.992 -5.099 1.00 0.00 C ATOM 1096 CG LEU A 72 3.004 -1.683 -4.583 1.00 0.00 C ATOM 1097 CD1 LEU A 72 4.243 -1.079 -5.227 1.00 0.00 C ATOM 1098 CD2 LEU A 72 3.086 -1.582 -3.067 1.00 0.00 C ATOM 0 H LEU A 72 0.174 0.425 -6.377 1.00 0.00 H new ATOM 0 HA LEU A 72 2.248 -1.346 -7.158 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.876 0.086 -5.005 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.910 -1.266 -4.450 1.00 0.00 H new ATOM 0 HG LEU A 72 2.955 -2.738 -4.855 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.132 -1.583 -4.848 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.188 -1.204 -6.308 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.297 -0.017 -4.986 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.991 -2.079 -2.718 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.112 -0.533 -2.773 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.214 -2.062 -2.623 1.00 0.00 H new ATOM 1110 N ASN A 73 0.925 -3.407 -7.679 1.00 0.00 N ATOM 1111 CA ASN A 73 0.328 -4.725 -7.863 1.00 0.00 C ATOM 1112 C ASN A 73 1.287 -5.823 -7.414 1.00 0.00 C ATOM 1113 O ASN A 73 2.409 -5.923 -7.909 1.00 0.00 O ATOM 1114 CB ASN A 73 -0.054 -4.934 -9.329 1.00 0.00 C ATOM 1115 CG ASN A 73 -0.404 -6.378 -9.635 1.00 0.00 C ATOM 1116 OD1 ASN A 73 -0.628 -7.180 -8.728 1.00 0.00 O ATOM 1117 ND2 ASN A 73 -0.452 -6.716 -10.918 1.00 0.00 N ATOM 0 H ASN A 73 1.554 -3.121 -8.429 1.00 0.00 H new ATOM 0 HA ASN A 73 -0.571 -4.779 -7.249 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -0.904 -4.297 -9.575 1.00 0.00 H new ATOM 0 HB3 ASN A 73 0.774 -4.621 -9.966 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -0.682 -7.673 -11.185 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -0.259 -6.018 -11.637 1.00 0.00 H new ATOM 1124 N VAL A 74 0.836 -6.646 -6.472 1.00 0.00 N ATOM 1125 CA VAL A 74 1.652 -7.739 -5.957 1.00 0.00 C ATOM 1126 C VAL A 74 1.596 -8.950 -6.881 1.00 0.00 C ATOM 1127 O VAL A 74 0.534 -9.538 -7.089 1.00 0.00 O ATOM 1128 CB VAL A 74 1.199 -8.161 -4.547 1.00 0.00 C ATOM 1129 CG1 VAL A 74 -0.241 -8.652 -4.573 1.00 0.00 C ATOM 1130 CG2 VAL A 74 2.125 -9.231 -3.988 1.00 0.00 C ATOM 0 H VAL A 74 -0.090 -6.576 -6.050 1.00 0.00 H new ATOM 0 HA VAL A 74 2.677 -7.372 -5.907 1.00 0.00 H new ATOM 0 HB VAL A 74 1.249 -7.291 -3.893 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.543 -8.946 -3.568 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.891 -7.853 -4.929 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.321 -9.509 -5.241 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.790 -9.517 -2.991 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.109 -10.104 -4.641 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.141 -8.840 -3.931 1.00 0.00 H new ATOM 1140 N THR A 75 2.747 -9.320 -7.434 1.00 0.00 N ATOM 1141 CA THR A 75 2.829 -10.461 -8.337 1.00 0.00 C ATOM 1142 C THR A 75 3.287 -11.714 -7.599 1.00 0.00 C ATOM 1143 O THR A 75 4.102 -12.483 -8.109 1.00 0.00 O ATOM 1144 CB THR A 75 3.795 -10.185 -9.505 1.00 0.00 C ATOM 1145 OG1 THR A 75 5.128 -10.021 -9.009 1.00 0.00 O ATOM 1146 CG2 THR A 75 3.376 -8.938 -10.270 1.00 0.00 C ATOM 0 H THR A 75 3.635 -8.846 -7.272 1.00 0.00 H new ATOM 0 HA THR A 75 1.827 -10.622 -8.734 1.00 0.00 H new ATOM 0 HB THR A 75 3.763 -11.037 -10.184 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.452 -10.875 -8.654 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.073 -8.763 -11.090 1.00 0.00 H new ATOM 0 HG22 THR A 75 2.372 -9.077 -10.670 1.00 0.00 H new ATOM 0 HG23 THR A 75 3.383 -8.080 -9.598 1.00 0.00 H new ATOM 1154 N SER A 76 2.757 -11.914 -6.397 1.00 0.00 N ATOM 1155 CA SER A 76 3.115 -13.073 -5.587 1.00 0.00 C ATOM 1156 C SER A 76 2.071 -13.320 -4.502 1.00 0.00 C ATOM 1157 O SER A 76 1.388 -12.396 -4.060 1.00 0.00 O ATOM 1158 CB SER A 76 4.491 -12.872 -4.950 1.00 0.00 C ATOM 1159 OG SER A 76 5.034 -14.104 -4.509 1.00 0.00 O ATOM 0 H SER A 76 2.078 -11.289 -5.962 1.00 0.00 H new ATOM 0 HA SER A 76 3.149 -13.945 -6.240 1.00 0.00 H new ATOM 0 HB2 SER A 76 5.165 -12.411 -5.672 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.408 -12.185 -4.108 1.00 0.00 H new ATOM 0 HG SER A 76 5.914 -13.948 -4.107 1.00 0.00 H new ATOM 1165 N ILE A 77 1.953 -14.574 -4.078 1.00 0.00 N ATOM 1166 CA ILE A 77 0.994 -14.944 -3.045 1.00 0.00 C ATOM 1167 C ILE A 77 1.635 -14.909 -1.662 1.00 0.00 C ATOM 1168 O ILE A 77 2.463 -15.757 -1.328 1.00 0.00 O ATOM 1169 CB ILE A 77 0.412 -16.348 -3.293 1.00 0.00 C ATOM 1170 CG1 ILE A 77 -0.396 -16.366 -4.593 1.00 0.00 C ATOM 1171 CG2 ILE A 77 -0.455 -16.777 -2.119 1.00 0.00 C ATOM 1172 CD1 ILE A 77 -1.539 -15.376 -4.608 1.00 0.00 C ATOM 0 H ILE A 77 2.510 -15.351 -4.434 1.00 0.00 H new ATOM 0 HA ILE A 77 0.187 -14.213 -3.088 1.00 0.00 H new ATOM 0 HB ILE A 77 1.236 -17.055 -3.389 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.270 -16.152 -5.428 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.793 -17.369 -4.751 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -0.859 -17.771 -2.309 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.147 -16.798 -1.211 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.275 -16.070 -1.995 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -2.067 -15.444 -5.559 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -2.227 -15.603 -3.794 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -1.148 -14.367 -4.482 1.00 0.00 H new ATOM 1184 N LEU A 78 1.246 -13.923 -0.860 1.00 0.00 N ATOM 1185 CA LEU A 78 1.781 -13.778 0.489 1.00 0.00 C ATOM 1186 C LEU A 78 1.720 -15.102 1.245 1.00 0.00 C ATOM 1187 O LEU A 78 0.735 -15.836 1.152 1.00 0.00 O ATOM 1188 CB LEU A 78 1.005 -12.705 1.254 1.00 0.00 C ATOM 1189 CG LEU A 78 0.843 -11.360 0.544 1.00 0.00 C ATOM 1190 CD1 LEU A 78 0.062 -10.388 1.415 1.00 0.00 C ATOM 1191 CD2 LEU A 78 2.202 -10.781 0.180 1.00 0.00 C ATOM 0 H LEU A 78 0.562 -13.213 -1.121 1.00 0.00 H new ATOM 0 HA LEU A 78 2.825 -13.475 0.408 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.013 -13.095 1.481 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.506 -12.532 2.207 1.00 0.00 H new ATOM 0 HG LEU A 78 0.282 -11.522 -0.377 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.044 -9.436 0.894 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.926 -10.799 1.623 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.595 -10.231 2.353 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.067 -9.824 -0.324 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.789 -10.634 1.086 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.725 -11.470 -0.483 1.00 0.00 H new ATOM 1203 N ASP A 79 2.776 -15.400 1.993 1.00 0.00 N ATOM 1204 CA ASP A 79 2.840 -16.633 2.768 1.00 0.00 C ATOM 1205 C ASP A 79 3.210 -16.345 4.220 1.00 0.00 C ATOM 1206 O ASP A 79 4.382 -16.391 4.594 1.00 0.00 O ATOM 1207 CB ASP A 79 3.858 -17.595 2.152 1.00 0.00 C ATOM 1208 CG ASP A 79 3.579 -17.871 0.687 1.00 0.00 C ATOM 1209 OD1 ASP A 79 2.528 -18.475 0.386 1.00 0.00 O ATOM 1210 OD2 ASP A 79 4.412 -17.483 -0.158 1.00 0.00 O ATOM 0 H ASP A 79 3.600 -14.804 2.079 1.00 0.00 H new ATOM 0 HA ASP A 79 1.854 -17.096 2.748 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.859 -17.176 2.256 1.00 0.00 H new ATOM 0 HB3 ASP A 79 3.847 -18.534 2.705 1.00 0.00 H new ATOM 1215 N ARG A 80 2.202 -16.045 5.033 1.00 0.00 N ATOM 1216 CA ARG A 80 2.422 -15.747 6.443 1.00 0.00 C ATOM 1217 C ARG A 80 3.498 -16.655 7.030 1.00 0.00 C ATOM 1218 O ARG A 80 4.460 -16.181 7.634 1.00 0.00 O ATOM 1219 CB ARG A 80 1.119 -15.908 7.229 1.00 0.00 C ATOM 1220 CG ARG A 80 1.271 -15.649 8.719 1.00 0.00 C ATOM 1221 CD ARG A 80 -0.064 -15.748 9.441 1.00 0.00 C ATOM 1222 NE ARG A 80 -0.044 -15.056 10.726 1.00 0.00 N ATOM 1223 CZ ARG A 80 0.473 -15.576 11.834 1.00 0.00 C ATOM 1224 NH1 ARG A 80 1.010 -16.788 11.812 1.00 0.00 N ATOM 1225 NH2 ARG A 80 0.453 -14.884 12.965 1.00 0.00 N ATOM 0 H ARG A 80 1.226 -16.002 4.740 1.00 0.00 H new ATOM 0 HA ARG A 80 2.761 -14.714 6.521 1.00 0.00 H new ATOM 0 HB2 ARG A 80 0.373 -15.224 6.824 1.00 0.00 H new ATOM 0 HB3 ARG A 80 0.738 -16.919 7.081 1.00 0.00 H new ATOM 0 HG2 ARG A 80 1.970 -16.368 9.145 1.00 0.00 H new ATOM 0 HG3 ARG A 80 1.698 -14.658 8.875 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -0.848 -15.324 8.813 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -0.314 -16.797 9.598 1.00 0.00 H new ATOM 0 HE ARG A 80 -0.449 -14.121 10.776 1.00 0.00 H new ATOM 0 HH11 ARG A 80 1.027 -17.323 10.944 1.00 0.00 H new ATOM 0 HH12 ARG A 80 1.406 -17.186 12.664 1.00 0.00 H new ATOM 0 HH21 ARG A 80 0.040 -13.951 12.985 1.00 0.00 H new ATOM 0 HH22 ARG A 80 0.850 -15.284 13.815 1.00 0.00 H new ATOM 1239 N GLU A 81 3.328 -17.960 6.848 1.00 0.00 N ATOM 1240 CA GLU A 81 4.284 -18.934 7.362 1.00 0.00 C ATOM 1241 C GLU A 81 5.709 -18.393 7.277 1.00 0.00 C ATOM 1242 O GLU A 81 6.457 -18.433 8.253 1.00 0.00 O ATOM 1243 CB GLU A 81 4.178 -20.246 6.582 1.00 0.00 C ATOM 1244 CG GLU A 81 2.805 -20.892 6.663 1.00 0.00 C ATOM 1245 CD GLU A 81 2.515 -21.797 5.481 1.00 0.00 C ATOM 1246 OE1 GLU A 81 2.516 -21.296 4.337 1.00 0.00 O ATOM 1247 OE2 GLU A 81 2.288 -23.005 5.701 1.00 0.00 O ATOM 0 H GLU A 81 2.538 -18.368 6.349 1.00 0.00 H new ATOM 0 HA GLU A 81 4.046 -19.122 8.409 1.00 0.00 H new ATOM 0 HB2 GLU A 81 4.421 -20.058 5.536 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.923 -20.946 6.961 1.00 0.00 H new ATOM 0 HG2 GLU A 81 2.733 -21.470 7.584 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.044 -20.114 6.715 1.00 0.00 H new ATOM 1254 N GLU A 82 6.076 -17.890 6.102 1.00 0.00 N ATOM 1255 CA GLU A 82 7.411 -17.343 5.889 1.00 0.00 C ATOM 1256 C GLU A 82 7.431 -15.840 6.151 1.00 0.00 C ATOM 1257 O GLU A 82 8.068 -15.371 7.095 1.00 0.00 O ATOM 1258 CB GLU A 82 7.882 -17.630 4.462 1.00 0.00 C ATOM 1259 CG GLU A 82 9.276 -17.105 4.165 1.00 0.00 C ATOM 1260 CD GLU A 82 9.993 -17.920 3.105 1.00 0.00 C ATOM 1261 OE1 GLU A 82 9.350 -18.281 2.098 1.00 0.00 O ATOM 1262 OE2 GLU A 82 11.198 -18.196 3.285 1.00 0.00 O ATOM 0 H GLU A 82 5.468 -17.850 5.284 1.00 0.00 H new ATOM 0 HA GLU A 82 8.090 -17.826 6.592 1.00 0.00 H new ATOM 0 HB2 GLU A 82 7.864 -18.707 4.292 1.00 0.00 H new ATOM 0 HB3 GLU A 82 7.178 -17.185 3.759 1.00 0.00 H new ATOM 0 HG2 GLU A 82 9.207 -16.068 3.836 1.00 0.00 H new ATOM 0 HG3 GLU A 82 9.865 -17.110 5.082 1.00 0.00 H new ATOM 1269 N THR A 83 6.729 -15.089 5.309 1.00 0.00 N ATOM 1270 CA THR A 83 6.667 -13.639 5.447 1.00 0.00 C ATOM 1271 C THR A 83 5.367 -13.206 6.114 1.00 0.00 C ATOM 1272 O THR A 83 4.315 -13.118 5.481 1.00 0.00 O ATOM 1273 CB THR A 83 6.787 -12.939 4.080 1.00 0.00 C ATOM 1274 OG1 THR A 83 5.812 -13.464 3.173 1.00 0.00 O ATOM 1275 CG2 THR A 83 8.180 -13.125 3.498 1.00 0.00 C ATOM 0 H THR A 83 6.195 -15.461 4.524 1.00 0.00 H new ATOM 0 HA THR A 83 7.509 -13.345 6.073 1.00 0.00 H new ATOM 0 HB THR A 83 6.610 -11.873 4.226 1.00 0.00 H new ATOM 0 HG1 THR A 83 5.796 -12.919 2.359 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.241 -12.622 2.533 1.00 0.00 H new ATOM 0 HG22 THR A 83 8.918 -12.698 4.177 1.00 0.00 H new ATOM 0 HG23 THR A 83 8.380 -14.188 3.367 1.00 0.00 H new ATOM 1283 N PRO A 84 5.438 -12.926 7.424 1.00 0.00 N ATOM 1284 CA PRO A 84 4.275 -12.495 8.206 1.00 0.00 C ATOM 1285 C PRO A 84 3.813 -11.091 7.831 1.00 0.00 C ATOM 1286 O PRO A 84 2.657 -10.727 8.052 1.00 0.00 O ATOM 1287 CB PRO A 84 4.787 -12.522 9.648 1.00 0.00 C ATOM 1288 CG PRO A 84 6.261 -12.340 9.530 1.00 0.00 C ATOM 1289 CD PRO A 84 6.659 -13.008 8.243 1.00 0.00 C ATOM 0 HA PRO A 84 3.409 -13.135 8.035 1.00 0.00 H new ATOM 0 HB2 PRO A 84 4.336 -11.728 10.243 1.00 0.00 H new ATOM 0 HB3 PRO A 84 4.542 -13.465 10.137 1.00 0.00 H new ATOM 0 HG2 PRO A 84 6.524 -11.282 9.518 1.00 0.00 H new ATOM 0 HG3 PRO A 84 6.779 -12.788 10.378 1.00 0.00 H new ATOM 0 HD2 PRO A 84 7.497 -12.498 7.768 1.00 0.00 H new ATOM 0 HD3 PRO A 84 6.966 -14.041 8.405 1.00 0.00 H new ATOM 1297 N PHE A 85 4.721 -10.306 7.262 1.00 0.00 N ATOM 1298 CA PHE A 85 4.406 -8.941 6.857 1.00 0.00 C ATOM 1299 C PHE A 85 5.311 -8.490 5.714 1.00 0.00 C ATOM 1300 O PHE A 85 6.392 -9.043 5.507 1.00 0.00 O ATOM 1301 CB PHE A 85 4.553 -7.987 8.045 1.00 0.00 C ATOM 1302 CG PHE A 85 5.957 -7.899 8.572 1.00 0.00 C ATOM 1303 CD1 PHE A 85 6.904 -7.116 7.932 1.00 0.00 C ATOM 1304 CD2 PHE A 85 6.329 -8.598 9.709 1.00 0.00 C ATOM 1305 CE1 PHE A 85 8.196 -7.032 8.415 1.00 0.00 C ATOM 1306 CE2 PHE A 85 7.619 -8.518 10.197 1.00 0.00 C ATOM 1307 CZ PHE A 85 8.554 -7.735 9.549 1.00 0.00 C ATOM 0 H PHE A 85 5.681 -10.592 7.071 1.00 0.00 H new ATOM 0 HA PHE A 85 3.373 -8.921 6.509 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.223 -6.992 7.745 1.00 0.00 H new ATOM 0 HB3 PHE A 85 3.892 -8.314 8.848 1.00 0.00 H new ATOM 0 HD1 PHE A 85 6.629 -6.565 7.045 1.00 0.00 H new ATOM 0 HD2 PHE A 85 5.602 -9.212 10.220 1.00 0.00 H new ATOM 0 HE1 PHE A 85 8.925 -6.418 7.907 1.00 0.00 H new ATOM 0 HE2 PHE A 85 7.896 -9.067 11.085 1.00 0.00 H new ATOM 0 HZ PHE A 85 9.563 -7.672 9.928 1.00 0.00 H new ATOM 1317 N PHE A 86 4.861 -7.483 4.973 1.00 0.00 N ATOM 1318 CA PHE A 86 5.628 -6.959 3.849 1.00 0.00 C ATOM 1319 C PHE A 86 5.640 -5.433 3.864 1.00 0.00 C ATOM 1320 O PHE A 86 4.903 -4.787 3.118 1.00 0.00 O ATOM 1321 CB PHE A 86 5.044 -7.462 2.527 1.00 0.00 C ATOM 1322 CG PHE A 86 5.547 -8.820 2.129 1.00 0.00 C ATOM 1323 CD1 PHE A 86 6.867 -9.002 1.752 1.00 0.00 C ATOM 1324 CD2 PHE A 86 4.698 -9.916 2.130 1.00 0.00 C ATOM 1325 CE1 PHE A 86 7.333 -10.251 1.385 1.00 0.00 C ATOM 1326 CE2 PHE A 86 5.158 -11.167 1.765 1.00 0.00 C ATOM 1327 CZ PHE A 86 6.477 -11.334 1.391 1.00 0.00 C ATOM 0 H PHE A 86 3.969 -7.014 5.131 1.00 0.00 H new ATOM 0 HA PHE A 86 6.654 -7.315 3.944 1.00 0.00 H new ATOM 0 HB2 PHE A 86 3.958 -7.495 2.608 1.00 0.00 H new ATOM 0 HB3 PHE A 86 5.283 -6.749 1.738 1.00 0.00 H new ATOM 0 HD1 PHE A 86 7.541 -8.158 1.745 1.00 0.00 H new ATOM 0 HD2 PHE A 86 3.665 -9.791 2.419 1.00 0.00 H new ATOM 0 HE1 PHE A 86 8.365 -10.379 1.094 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.487 -12.013 1.772 1.00 0.00 H new ATOM 0 HZ PHE A 86 6.838 -12.310 1.104 1.00 0.00 H new ATOM 1337 N LEU A 87 6.482 -4.863 4.719 1.00 0.00 N ATOM 1338 CA LEU A 87 6.591 -3.413 4.833 1.00 0.00 C ATOM 1339 C LEU A 87 7.247 -2.817 3.591 1.00 0.00 C ATOM 1340 O LEU A 87 8.079 -3.458 2.947 1.00 0.00 O ATOM 1341 CB LEU A 87 7.397 -3.039 6.078 1.00 0.00 C ATOM 1342 CG LEU A 87 6.585 -2.762 7.345 1.00 0.00 C ATOM 1343 CD1 LEU A 87 6.416 -4.035 8.159 1.00 0.00 C ATOM 1344 CD2 LEU A 87 7.252 -1.677 8.178 1.00 0.00 C ATOM 0 H LEU A 87 7.099 -5.383 5.343 1.00 0.00 H new ATOM 0 HA LEU A 87 5.585 -3.004 4.922 1.00 0.00 H new ATOM 0 HB2 LEU A 87 8.098 -3.847 6.289 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.990 -2.154 5.850 1.00 0.00 H new ATOM 0 HG LEU A 87 5.596 -2.410 7.051 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.836 -3.819 9.056 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.895 -4.783 7.561 1.00 0.00 H new ATOM 0 HD13 LEU A 87 7.396 -4.418 8.444 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.661 -1.492 9.075 1.00 0.00 H new ATOM 0 HD22 LEU A 87 8.253 -2.001 8.463 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.320 -0.760 7.593 1.00 0.00 H new ATOM 1356 N LEU A 88 6.869 -1.587 3.262 1.00 0.00 N ATOM 1357 CA LEU A 88 7.422 -0.902 2.098 1.00 0.00 C ATOM 1358 C LEU A 88 7.468 0.606 2.324 1.00 0.00 C ATOM 1359 O LEU A 88 6.677 1.154 3.093 1.00 0.00 O ATOM 1360 CB LEU A 88 6.591 -1.218 0.854 1.00 0.00 C ATOM 1361 CG LEU A 88 6.452 -2.698 0.497 1.00 0.00 C ATOM 1362 CD1 LEU A 88 5.424 -2.886 -0.609 1.00 0.00 C ATOM 1363 CD2 LEU A 88 7.797 -3.275 0.081 1.00 0.00 C ATOM 0 H LEU A 88 6.182 -1.043 3.784 1.00 0.00 H new ATOM 0 HA LEU A 88 8.441 -1.259 1.947 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.593 -0.803 0.994 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.035 -0.700 0.004 1.00 0.00 H new ATOM 0 HG LEU A 88 6.107 -3.234 1.381 1.00 0.00 H new ATOM 0 HD11 LEU A 88 5.338 -3.946 -0.850 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.457 -2.511 -0.274 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.739 -2.337 -1.496 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.679 -4.329 -0.169 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.171 -2.735 -0.789 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.506 -3.175 0.903 1.00 0.00 H new ATOM 1375 N THR A 89 8.399 1.272 1.649 1.00 0.00 N ATOM 1376 CA THR A 89 8.548 2.716 1.775 1.00 0.00 C ATOM 1377 C THR A 89 7.968 3.437 0.563 1.00 0.00 C ATOM 1378 O THR A 89 7.824 2.851 -0.510 1.00 0.00 O ATOM 1379 CB THR A 89 10.027 3.117 1.936 1.00 0.00 C ATOM 1380 OG1 THR A 89 10.842 2.348 1.044 1.00 0.00 O ATOM 1381 CG2 THR A 89 10.492 2.904 3.368 1.00 0.00 C ATOM 0 H THR A 89 9.062 0.834 1.009 1.00 0.00 H new ATOM 0 HA THR A 89 7.999 3.013 2.669 1.00 0.00 H new ATOM 0 HB THR A 89 10.123 4.175 1.694 1.00 0.00 H new ATOM 0 HG1 THR A 89 10.915 1.429 1.377 1.00 0.00 H new ATOM 0 HG21 THR A 89 11.539 3.194 3.458 1.00 0.00 H new ATOM 0 HG22 THR A 89 9.888 3.513 4.041 1.00 0.00 H new ATOM 0 HG23 THR A 89 10.383 1.852 3.633 1.00 0.00 H new ATOM 1389 N GLY A 90 7.635 4.712 0.741 1.00 0.00 N ATOM 1390 CA GLY A 90 7.074 5.491 -0.347 1.00 0.00 C ATOM 1391 C GLY A 90 7.863 6.756 -0.620 1.00 0.00 C ATOM 1392 O GLY A 90 7.370 7.863 -0.400 1.00 0.00 O ATOM 0 H GLY A 90 7.744 5.219 1.619 1.00 0.00 H new ATOM 0 HA2 GLY A 90 7.047 4.881 -1.250 1.00 0.00 H new ATOM 0 HA3 GLY A 90 6.043 5.753 -0.108 1.00 0.00 H new ATOM 1396 N TYR A 91 9.091 6.594 -1.099 1.00 0.00 N ATOM 1397 CA TYR A 91 9.951 7.732 -1.399 1.00 0.00 C ATOM 1398 C TYR A 91 9.295 8.657 -2.420 1.00 0.00 C ATOM 1399 O TYR A 91 9.099 8.283 -3.576 1.00 0.00 O ATOM 1400 CB TYR A 91 11.304 7.251 -1.925 1.00 0.00 C ATOM 1401 CG TYR A 91 12.225 6.732 -0.844 1.00 0.00 C ATOM 1402 CD1 TYR A 91 12.196 5.396 -0.462 1.00 0.00 C ATOM 1403 CD2 TYR A 91 13.124 7.577 -0.205 1.00 0.00 C ATOM 1404 CE1 TYR A 91 13.034 4.918 0.526 1.00 0.00 C ATOM 1405 CE2 TYR A 91 13.967 7.106 0.783 1.00 0.00 C ATOM 1406 CZ TYR A 91 13.918 5.776 1.146 1.00 0.00 C ATOM 1407 OH TYR A 91 14.756 5.303 2.129 1.00 0.00 O ATOM 0 H TYR A 91 9.513 5.685 -1.288 1.00 0.00 H new ATOM 0 HA TYR A 91 10.106 8.291 -0.476 1.00 0.00 H new ATOM 0 HB2 TYR A 91 11.139 6.463 -2.659 1.00 0.00 H new ATOM 0 HB3 TYR A 91 11.795 8.073 -2.445 1.00 0.00 H new ATOM 0 HD1 TYR A 91 11.506 4.720 -0.946 1.00 0.00 H new ATOM 0 HD2 TYR A 91 13.164 8.619 -0.485 1.00 0.00 H new ATOM 0 HE1 TYR A 91 12.997 3.877 0.812 1.00 0.00 H new ATOM 0 HE2 TYR A 91 14.661 7.776 1.269 1.00 0.00 H new ATOM 0 HH TYR A 91 15.316 6.035 2.462 1.00 0.00 H new ATOM 1417 N ALA A 92 8.959 9.866 -1.984 1.00 0.00 N ATOM 1418 CA ALA A 92 8.328 10.846 -2.859 1.00 0.00 C ATOM 1419 C ALA A 92 9.373 11.672 -3.603 1.00 0.00 C ATOM 1420 O ALA A 92 10.019 12.544 -3.021 1.00 0.00 O ATOM 1421 CB ALA A 92 7.408 11.755 -2.057 1.00 0.00 C ATOM 0 H ALA A 92 9.113 10.191 -1.029 1.00 0.00 H new ATOM 0 HA ALA A 92 7.735 10.307 -3.598 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.944 12.482 -2.723 1.00 0.00 H new ATOM 0 HB2 ALA A 92 6.634 11.157 -1.577 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.987 12.278 -1.296 1.00 0.00 H new ATOM 1427 N LEU A 93 9.534 11.390 -4.891 1.00 0.00 N ATOM 1428 CA LEU A 93 10.502 12.107 -5.714 1.00 0.00 C ATOM 1429 C LEU A 93 9.823 13.214 -6.514 1.00 0.00 C ATOM 1430 O LEU A 93 8.993 12.946 -7.383 1.00 0.00 O ATOM 1431 CB LEU A 93 11.210 11.138 -6.663 1.00 0.00 C ATOM 1432 CG LEU A 93 11.573 9.772 -6.079 1.00 0.00 C ATOM 1433 CD1 LEU A 93 12.422 8.980 -7.061 1.00 0.00 C ATOM 1434 CD2 LEU A 93 12.300 9.935 -4.753 1.00 0.00 C ATOM 0 H LEU A 93 9.008 10.671 -5.388 1.00 0.00 H new ATOM 0 HA LEU A 93 11.239 12.562 -5.052 1.00 0.00 H new ATOM 0 HB2 LEU A 93 10.572 10.981 -7.533 1.00 0.00 H new ATOM 0 HB3 LEU A 93 12.124 11.613 -7.020 1.00 0.00 H new ATOM 0 HG LEU A 93 10.651 9.219 -5.899 1.00 0.00 H new ATOM 0 HD11 LEU A 93 12.671 8.011 -6.628 1.00 0.00 H new ATOM 0 HD12 LEU A 93 11.865 8.832 -7.986 1.00 0.00 H new ATOM 0 HD13 LEU A 93 13.340 9.529 -7.273 1.00 0.00 H new ATOM 0 HD21 LEU A 93 12.550 8.953 -4.352 1.00 0.00 H new ATOM 0 HD22 LEU A 93 13.214 10.508 -4.907 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.657 10.461 -4.048 1.00 0.00 H new ATOM 1446 N ASP A 94 10.182 14.458 -6.217 1.00 0.00 N ATOM 1447 CA ASP A 94 9.609 15.606 -6.910 1.00 0.00 C ATOM 1448 C ASP A 94 10.184 15.732 -8.318 1.00 0.00 C ATOM 1449 O ASP A 94 9.475 15.549 -9.307 1.00 0.00 O ATOM 1450 CB ASP A 94 9.874 16.889 -6.121 1.00 0.00 C ATOM 1451 CG ASP A 94 9.386 18.126 -6.848 1.00 0.00 C ATOM 1452 OD1 ASP A 94 8.160 18.247 -7.058 1.00 0.00 O ATOM 1453 OD2 ASP A 94 10.229 18.975 -7.206 1.00 0.00 O ATOM 0 H ASP A 94 10.868 14.697 -5.501 1.00 0.00 H new ATOM 0 HA ASP A 94 8.533 15.453 -6.988 1.00 0.00 H new ATOM 0 HB2 ASP A 94 9.382 16.824 -5.151 1.00 0.00 H new ATOM 0 HB3 ASP A 94 10.943 16.981 -5.931 1.00 0.00 H new ATOM 1458 N ALA A 95 11.472 16.047 -8.399 1.00 0.00 N ATOM 1459 CA ALA A 95 12.142 16.197 -9.685 1.00 0.00 C ATOM 1460 C ALA A 95 13.494 15.493 -9.685 1.00 0.00 C ATOM 1461 O ALA A 95 13.707 14.538 -10.432 1.00 0.00 O ATOM 1462 CB ALA A 95 12.312 17.671 -10.023 1.00 0.00 C ATOM 0 H ALA A 95 12.073 16.203 -7.590 1.00 0.00 H new ATOM 0 HA ALA A 95 11.519 15.730 -10.448 1.00 0.00 H new ATOM 0 HB1 ALA A 95 12.814 17.768 -10.986 1.00 0.00 H new ATOM 0 HB2 ALA A 95 11.333 18.148 -10.074 1.00 0.00 H new ATOM 0 HB3 ALA A 95 12.911 18.154 -9.251 1.00 0.00 H new ATOM 1468 N ARG A 96 14.405 15.971 -8.844 1.00 0.00 N ATOM 1469 CA ARG A 96 15.738 15.388 -8.749 1.00 0.00 C ATOM 1470 C ARG A 96 15.802 14.357 -7.626 1.00 0.00 C ATOM 1471 O ARG A 96 16.854 14.144 -7.024 1.00 0.00 O ATOM 1472 CB ARG A 96 16.781 16.482 -8.512 1.00 0.00 C ATOM 1473 CG ARG A 96 17.354 17.066 -9.793 1.00 0.00 C ATOM 1474 CD ARG A 96 18.365 18.164 -9.501 1.00 0.00 C ATOM 1475 NE ARG A 96 19.717 17.635 -9.345 1.00 0.00 N ATOM 1476 CZ ARG A 96 20.799 18.401 -9.251 1.00 0.00 C ATOM 1477 NH1 ARG A 96 20.687 19.721 -9.297 1.00 0.00 N ATOM 1478 NH2 ARG A 96 21.996 17.845 -9.111 1.00 0.00 N ATOM 0 H ARG A 96 14.244 16.761 -8.218 1.00 0.00 H new ATOM 0 HA ARG A 96 15.956 14.886 -9.692 1.00 0.00 H new ATOM 0 HB2 ARG A 96 16.328 17.283 -7.928 1.00 0.00 H new ATOM 0 HB3 ARG A 96 17.595 16.073 -7.914 1.00 0.00 H new ATOM 0 HG2 ARG A 96 17.831 16.276 -10.373 1.00 0.00 H new ATOM 0 HG3 ARG A 96 16.546 17.467 -10.405 1.00 0.00 H new ATOM 0 HD2 ARG A 96 18.352 18.893 -10.311 1.00 0.00 H new ATOM 0 HD3 ARG A 96 18.075 18.692 -8.592 1.00 0.00 H new ATOM 0 HE ARG A 96 19.838 16.623 -9.306 1.00 0.00 H new ATOM 0 HH11 ARG A 96 19.769 20.151 -9.405 1.00 0.00 H new ATOM 0 HH12 ARG A 96 21.519 20.306 -9.225 1.00 0.00 H new ATOM 0 HH21 ARG A 96 22.086 16.830 -9.076 1.00 0.00 H new ATOM 0 HH22 ARG A 96 22.826 18.433 -9.039 1.00 0.00 H new ATOM 1492 N GLY A 97 14.668 13.721 -7.349 1.00 0.00 N ATOM 1493 CA GLY A 97 14.617 12.721 -6.298 1.00 0.00 C ATOM 1494 C GLY A 97 15.391 13.137 -5.063 1.00 0.00 C ATOM 1495 O GLY A 97 16.081 12.323 -4.452 1.00 0.00 O ATOM 0 H GLY A 97 13.784 13.880 -7.833 1.00 0.00 H new ATOM 0 HA2 GLY A 97 13.578 12.537 -6.026 1.00 0.00 H new ATOM 0 HA3 GLY A 97 15.019 11.781 -6.676 1.00 0.00 H new ATOM 1499 N ASN A 98 15.278 14.409 -4.696 1.00 0.00 N ATOM 1500 CA ASN A 98 15.975 14.933 -3.527 1.00 0.00 C ATOM 1501 C ASN A 98 15.203 14.621 -2.249 1.00 0.00 C ATOM 1502 O ASN A 98 15.445 15.223 -1.203 1.00 0.00 O ATOM 1503 CB ASN A 98 16.174 16.444 -3.660 1.00 0.00 C ATOM 1504 CG ASN A 98 17.463 16.797 -4.377 1.00 0.00 C ATOM 1505 OD1 ASN A 98 18.551 16.678 -3.814 1.00 0.00 O ATOM 1506 ND2 ASN A 98 17.345 17.233 -5.626 1.00 0.00 N ATOM 0 H ASN A 98 14.710 15.096 -5.191 1.00 0.00 H new ATOM 0 HA ASN A 98 16.950 14.449 -3.469 1.00 0.00 H new ATOM 0 HB2 ASN A 98 15.331 16.872 -4.202 1.00 0.00 H new ATOM 0 HB3 ASN A 98 16.178 16.896 -2.668 1.00 0.00 H new ATOM 0 HD21 ASN A 98 18.177 17.485 -6.159 1.00 0.00 H new ATOM 0 HD22 ASN A 98 16.422 17.316 -6.052 1.00 0.00 H new ATOM 1513 N ASN A 99 14.274 13.675 -2.341 1.00 0.00 N ATOM 1514 CA ASN A 99 13.467 13.282 -1.191 1.00 0.00 C ATOM 1515 C ASN A 99 12.507 14.399 -0.794 1.00 0.00 C ATOM 1516 O ASN A 99 12.449 14.798 0.369 1.00 0.00 O ATOM 1517 CB ASN A 99 14.368 12.923 -0.008 1.00 0.00 C ATOM 1518 CG ASN A 99 15.462 11.946 -0.389 1.00 0.00 C ATOM 1519 OD1 ASN A 99 16.377 12.284 -1.140 1.00 0.00 O ATOM 1520 ND2 ASN A 99 15.373 10.726 0.128 1.00 0.00 N ATOM 0 H ASN A 99 14.061 13.167 -3.199 1.00 0.00 H new ATOM 0 HA ASN A 99 12.881 12.406 -1.471 1.00 0.00 H new ATOM 0 HB2 ASN A 99 14.819 13.832 0.390 1.00 0.00 H new ATOM 0 HB3 ASN A 99 13.762 12.492 0.789 1.00 0.00 H new ATOM 0 HD21 ASN A 99 16.081 10.026 -0.093 1.00 0.00 H new ATOM 0 HD22 ASN A 99 14.597 10.489 0.746 1.00 0.00 H new ATOM 1527 N VAL A 100 11.754 14.899 -1.768 1.00 0.00 N ATOM 1528 CA VAL A 100 10.795 15.969 -1.521 1.00 0.00 C ATOM 1529 C VAL A 100 9.943 15.670 -0.292 1.00 0.00 C ATOM 1530 O VAL A 100 9.350 16.572 0.298 1.00 0.00 O ATOM 1531 CB VAL A 100 9.869 16.185 -2.733 1.00 0.00 C ATOM 1532 CG1 VAL A 100 8.856 15.055 -2.839 1.00 0.00 C ATOM 1533 CG2 VAL A 100 9.169 17.532 -2.636 1.00 0.00 C ATOM 0 H VAL A 100 11.790 14.580 -2.736 1.00 0.00 H new ATOM 0 HA VAL A 100 11.372 16.877 -1.348 1.00 0.00 H new ATOM 0 HB VAL A 100 10.477 16.182 -3.638 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.211 15.225 -3.701 1.00 0.00 H new ATOM 0 HG12 VAL A 100 9.380 14.107 -2.959 1.00 0.00 H new ATOM 0 HG13 VAL A 100 8.251 15.023 -1.933 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.519 17.667 -3.501 1.00 0.00 H new ATOM 0 HG22 VAL A 100 8.572 17.567 -1.724 1.00 0.00 H new ATOM 0 HG23 VAL A 100 9.913 18.328 -2.613 1.00 0.00 H new ATOM 1543 N GLU A 101 9.889 14.398 0.088 1.00 0.00 N ATOM 1544 CA GLU A 101 9.109 13.980 1.248 1.00 0.00 C ATOM 1545 C GLU A 101 9.639 12.666 1.815 1.00 0.00 C ATOM 1546 O GLU A 101 10.208 11.849 1.092 1.00 0.00 O ATOM 1547 CB GLU A 101 7.634 13.828 0.870 1.00 0.00 C ATOM 1548 CG GLU A 101 6.717 13.632 2.065 1.00 0.00 C ATOM 1549 CD GLU A 101 5.279 13.370 1.661 1.00 0.00 C ATOM 1550 OE1 GLU A 101 4.584 14.334 1.280 1.00 0.00 O ATOM 1551 OE2 GLU A 101 4.850 12.198 1.725 1.00 0.00 O ATOM 0 H GLU A 101 10.375 13.639 -0.389 1.00 0.00 H new ATOM 0 HA GLU A 101 9.203 14.750 2.014 1.00 0.00 H new ATOM 0 HB2 GLU A 101 7.316 14.713 0.320 1.00 0.00 H new ATOM 0 HB3 GLU A 101 7.526 12.978 0.196 1.00 0.00 H new ATOM 0 HG2 GLU A 101 7.080 12.797 2.664 1.00 0.00 H new ATOM 0 HG3 GLU A 101 6.757 14.519 2.698 1.00 0.00 H new ATOM 1558 N LYS A 102 9.447 12.470 3.115 1.00 0.00 N ATOM 1559 CA LYS A 102 9.904 11.257 3.782 1.00 0.00 C ATOM 1560 C LYS A 102 8.945 10.100 3.523 1.00 0.00 C ATOM 1561 O LYS A 102 7.724 10.261 3.525 1.00 0.00 O ATOM 1562 CB LYS A 102 10.036 11.496 5.288 1.00 0.00 C ATOM 1563 CG LYS A 102 10.750 10.375 6.022 1.00 0.00 C ATOM 1564 CD LYS A 102 10.742 10.598 7.525 1.00 0.00 C ATOM 1565 CE LYS A 102 9.461 10.080 8.159 1.00 0.00 C ATOM 1566 NZ LYS A 102 8.385 11.110 8.158 1.00 0.00 N ATOM 0 H LYS A 102 8.978 13.136 3.728 1.00 0.00 H new ATOM 0 HA LYS A 102 10.881 10.995 3.375 1.00 0.00 H new ATOM 0 HB2 LYS A 102 10.576 12.429 5.453 1.00 0.00 H new ATOM 0 HB3 LYS A 102 9.041 11.623 5.716 1.00 0.00 H new ATOM 0 HG2 LYS A 102 10.269 9.424 5.792 1.00 0.00 H new ATOM 0 HG3 LYS A 102 11.779 10.305 5.669 1.00 0.00 H new ATOM 0 HD2 LYS A 102 11.600 10.096 7.973 1.00 0.00 H new ATOM 0 HD3 LYS A 102 10.849 11.662 7.736 1.00 0.00 H new ATOM 0 HE2 LYS A 102 9.119 9.197 7.618 1.00 0.00 H new ATOM 0 HE3 LYS A 102 9.663 9.767 9.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 7.813 11.015 9.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 8.812 12.058 8.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 7.778 10.977 7.324 1.00 0.00 H new ATOM 1580 N PRO A 103 9.507 8.904 3.295 1.00 0.00 N ATOM 1581 CA PRO A 103 8.719 7.696 3.032 1.00 0.00 C ATOM 1582 C PRO A 103 7.965 7.215 4.267 1.00 0.00 C ATOM 1583 O PRO A 103 8.309 7.572 5.395 1.00 0.00 O ATOM 1584 CB PRO A 103 9.774 6.667 2.616 1.00 0.00 C ATOM 1585 CG PRO A 103 11.033 7.136 3.258 1.00 0.00 C ATOM 1586 CD PRO A 103 10.955 8.638 3.277 1.00 0.00 C ATOM 0 HA PRO A 103 7.950 7.868 2.278 1.00 0.00 H new ATOM 0 HB2 PRO A 103 9.506 5.666 2.954 1.00 0.00 H new ATOM 0 HB3 PRO A 103 9.876 6.620 1.532 1.00 0.00 H new ATOM 0 HG2 PRO A 103 11.128 6.738 4.268 1.00 0.00 H new ATOM 0 HG3 PRO A 103 11.905 6.798 2.699 1.00 0.00 H new ATOM 0 HD2 PRO A 103 11.451 9.055 4.153 1.00 0.00 H new ATOM 0 HD3 PRO A 103 11.433 9.076 2.401 1.00 0.00 H new ATOM 1594 N LEU A 104 6.935 6.404 4.048 1.00 0.00 N ATOM 1595 CA LEU A 104 6.132 5.874 5.144 1.00 0.00 C ATOM 1596 C LEU A 104 6.313 4.365 5.271 1.00 0.00 C ATOM 1597 O LEU A 104 7.022 3.747 4.478 1.00 0.00 O ATOM 1598 CB LEU A 104 4.655 6.206 4.927 1.00 0.00 C ATOM 1599 CG LEU A 104 4.065 5.789 3.579 1.00 0.00 C ATOM 1600 CD1 LEU A 104 4.089 4.276 3.430 1.00 0.00 C ATOM 1601 CD2 LEU A 104 2.646 6.319 3.432 1.00 0.00 C ATOM 0 H LEU A 104 6.637 6.099 3.121 1.00 0.00 H new ATOM 0 HA LEU A 104 6.471 6.341 6.069 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.076 5.729 5.718 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.524 7.282 5.041 1.00 0.00 H new ATOM 0 HG LEU A 104 4.677 6.220 2.787 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.665 3.999 2.465 1.00 0.00 H new ATOM 0 HD12 LEU A 104 5.118 3.921 3.490 1.00 0.00 H new ATOM 0 HD13 LEU A 104 3.501 3.822 4.228 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.241 6.013 2.467 1.00 0.00 H new ATOM 0 HD22 LEU A 104 2.023 5.917 4.231 1.00 0.00 H new ATOM 0 HD23 LEU A 104 2.656 7.407 3.493 1.00 0.00 H new ATOM 1613 N GLU A 105 5.665 3.779 6.273 1.00 0.00 N ATOM 1614 CA GLU A 105 5.754 2.341 6.502 1.00 0.00 C ATOM 1615 C GLU A 105 4.478 1.638 6.048 1.00 0.00 C ATOM 1616 O GLU A 105 3.430 1.758 6.683 1.00 0.00 O ATOM 1617 CB GLU A 105 6.009 2.053 7.983 1.00 0.00 C ATOM 1618 CG GLU A 105 4.807 2.326 8.872 1.00 0.00 C ATOM 1619 CD GLU A 105 5.200 2.689 10.291 1.00 0.00 C ATOM 1620 OE1 GLU A 105 5.462 3.883 10.547 1.00 0.00 O ATOM 1621 OE2 GLU A 105 5.246 1.779 11.144 1.00 0.00 O ATOM 0 H GLU A 105 5.073 4.277 6.938 1.00 0.00 H new ATOM 0 HA GLU A 105 6.588 1.956 5.916 1.00 0.00 H new ATOM 0 HB2 GLU A 105 6.304 1.010 8.096 1.00 0.00 H new ATOM 0 HB3 GLU A 105 6.848 2.660 8.323 1.00 0.00 H new ATOM 0 HG2 GLU A 105 4.220 3.138 8.443 1.00 0.00 H new ATOM 0 HG3 GLU A 105 4.166 1.444 8.891 1.00 0.00 H new ATOM 1628 N LEU A 106 4.576 0.904 4.945 1.00 0.00 N ATOM 1629 CA LEU A 106 3.430 0.181 4.404 1.00 0.00 C ATOM 1630 C LEU A 106 3.428 -1.269 4.877 1.00 0.00 C ATOM 1631 O LEU A 106 3.737 -2.182 4.112 1.00 0.00 O ATOM 1632 CB LEU A 106 3.446 0.230 2.875 1.00 0.00 C ATOM 1633 CG LEU A 106 2.336 -0.547 2.166 1.00 0.00 C ATOM 1634 CD1 LEU A 106 0.989 0.122 2.391 1.00 0.00 C ATOM 1635 CD2 LEU A 106 2.634 -0.664 0.679 1.00 0.00 C ATOM 0 H LEU A 106 5.436 0.794 4.408 1.00 0.00 H new ATOM 0 HA LEU A 106 2.523 0.664 4.768 1.00 0.00 H new ATOM 0 HB2 LEU A 106 3.387 1.273 2.564 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.407 -0.152 2.529 1.00 0.00 H new ATOM 0 HG LEU A 106 2.294 -1.551 2.588 1.00 0.00 H new ATOM 0 HD11 LEU A 106 0.211 -0.445 1.879 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.772 0.153 3.459 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.017 1.138 1.997 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.834 -1.220 0.190 1.00 0.00 H new ATOM 0 HD22 LEU A 106 2.703 0.332 0.242 1.00 0.00 H new ATOM 0 HD23 LEU A 106 3.579 -1.188 0.537 1.00 0.00 H new ATOM 1647 N ARG A 107 3.076 -1.473 6.142 1.00 0.00 N ATOM 1648 CA ARG A 107 3.033 -2.812 6.717 1.00 0.00 C ATOM 1649 C ARG A 107 1.832 -3.591 6.191 1.00 0.00 C ATOM 1650 O ARG A 107 0.684 -3.258 6.489 1.00 0.00 O ATOM 1651 CB ARG A 107 2.974 -2.733 8.244 1.00 0.00 C ATOM 1652 CG ARG A 107 1.795 -1.930 8.767 1.00 0.00 C ATOM 1653 CD ARG A 107 2.027 -1.465 10.196 1.00 0.00 C ATOM 1654 NE ARG A 107 1.030 -0.488 10.623 1.00 0.00 N ATOM 1655 CZ ARG A 107 -0.169 -0.817 11.091 1.00 0.00 C ATOM 1656 NH1 ARG A 107 -0.518 -2.092 11.192 1.00 0.00 N ATOM 1657 NH2 ARG A 107 -1.022 0.130 11.459 1.00 0.00 N ATOM 0 H ARG A 107 2.816 -0.728 6.788 1.00 0.00 H new ATOM 0 HA ARG A 107 3.942 -3.336 6.422 1.00 0.00 H new ATOM 0 HB2 ARG A 107 2.923 -3.743 8.650 1.00 0.00 H new ATOM 0 HB3 ARG A 107 3.898 -2.288 8.612 1.00 0.00 H new ATOM 0 HG2 ARG A 107 1.629 -1.065 8.124 1.00 0.00 H new ATOM 0 HG3 ARG A 107 0.891 -2.538 8.723 1.00 0.00 H new ATOM 0 HD2 ARG A 107 2.002 -2.325 10.865 1.00 0.00 H new ATOM 0 HD3 ARG A 107 3.022 -1.027 10.277 1.00 0.00 H new ATOM 0 HE ARG A 107 1.267 0.502 10.558 1.00 0.00 H new ATOM 0 HH11 ARG A 107 0.135 -2.823 10.910 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -1.439 -2.342 11.552 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -0.758 1.112 11.383 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -1.942 -0.124 11.818 1.00 0.00 H new ATOM 1671 N ILE A 108 2.104 -4.629 5.407 1.00 0.00 N ATOM 1672 CA ILE A 108 1.045 -5.455 4.840 1.00 0.00 C ATOM 1673 C ILE A 108 0.804 -6.699 5.689 1.00 0.00 C ATOM 1674 O ILE A 108 1.258 -7.792 5.352 1.00 0.00 O ATOM 1675 CB ILE A 108 1.379 -5.888 3.400 1.00 0.00 C ATOM 1676 CG1 ILE A 108 1.562 -4.661 2.505 1.00 0.00 C ATOM 1677 CG2 ILE A 108 0.285 -6.792 2.852 1.00 0.00 C ATOM 1678 CD1 ILE A 108 2.211 -4.974 1.175 1.00 0.00 C ATOM 0 H ILE A 108 3.048 -4.918 5.150 1.00 0.00 H new ATOM 0 HA ILE A 108 0.142 -4.845 4.828 1.00 0.00 H new ATOM 0 HB ILE A 108 2.314 -6.448 3.412 1.00 0.00 H new ATOM 0 HG12 ILE A 108 0.589 -4.203 2.326 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.169 -3.924 3.032 1.00 0.00 H new ATOM 0 HG21 ILE A 108 0.535 -7.090 1.834 1.00 0.00 H new ATOM 0 HG22 ILE A 108 0.199 -7.680 3.479 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -0.664 -6.255 2.850 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.309 -4.057 0.593 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.198 -5.404 1.344 1.00 0.00 H new ATOM 0 HD13 ILE A 108 1.594 -5.687 0.628 1.00 0.00 H new ATOM 1690 N LYS A 109 0.084 -6.524 6.792 1.00 0.00 N ATOM 1691 CA LYS A 109 -0.222 -7.631 7.690 1.00 0.00 C ATOM 1692 C LYS A 109 -0.886 -8.778 6.933 1.00 0.00 C ATOM 1693 O LYS A 109 -2.030 -8.665 6.494 1.00 0.00 O ATOM 1694 CB LYS A 109 -1.135 -7.159 8.824 1.00 0.00 C ATOM 1695 CG LYS A 109 -1.241 -8.148 9.972 1.00 0.00 C ATOM 1696 CD LYS A 109 -2.384 -7.794 10.909 1.00 0.00 C ATOM 1697 CE LYS A 109 -3.728 -8.207 10.329 1.00 0.00 C ATOM 1698 NZ LYS A 109 -4.331 -7.126 9.501 1.00 0.00 N ATOM 0 H LYS A 109 -0.299 -5.625 7.086 1.00 0.00 H new ATOM 0 HA LYS A 109 0.715 -7.992 8.113 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -0.763 -6.209 9.207 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -2.131 -6.972 8.423 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -1.392 -9.152 9.576 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -0.304 -8.162 10.529 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -2.234 -8.287 11.870 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -2.382 -6.720 11.098 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -3.601 -9.102 9.721 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -4.409 -8.466 11.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -5.346 -7.050 9.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -3.863 -6.222 9.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -4.205 -7.350 8.493 1.00 0.00 H new ATOM 1712 N VAL A 110 -0.160 -9.882 6.786 1.00 0.00 N ATOM 1713 CA VAL A 110 -0.679 -11.050 6.085 1.00 0.00 C ATOM 1714 C VAL A 110 -1.704 -11.791 6.936 1.00 0.00 C ATOM 1715 O VAL A 110 -1.350 -12.640 7.756 1.00 0.00 O ATOM 1716 CB VAL A 110 0.451 -12.022 5.700 1.00 0.00 C ATOM 1717 CG1 VAL A 110 -0.096 -13.182 4.882 1.00 0.00 C ATOM 1718 CG2 VAL A 110 1.546 -11.291 4.938 1.00 0.00 C ATOM 0 H VAL A 110 0.789 -9.992 7.143 1.00 0.00 H new ATOM 0 HA VAL A 110 -1.160 -10.686 5.177 1.00 0.00 H new ATOM 0 HB VAL A 110 0.884 -12.427 6.614 1.00 0.00 H new ATOM 0 HG11 VAL A 110 0.718 -13.858 4.620 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -0.841 -13.721 5.468 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -0.558 -12.799 3.972 1.00 0.00 H new ATOM 0 HG21 VAL A 110 2.337 -11.993 4.674 1.00 0.00 H new ATOM 0 HG22 VAL A 110 1.129 -10.856 4.030 1.00 0.00 H new ATOM 0 HG23 VAL A 110 1.958 -10.499 5.564 1.00 0.00 H new ATOM 1728 N LEU A 111 -2.977 -11.466 6.738 1.00 0.00 N ATOM 1729 CA LEU A 111 -4.055 -12.101 7.487 1.00 0.00 C ATOM 1730 C LEU A 111 -3.965 -13.621 7.387 1.00 0.00 C ATOM 1731 O LEU A 111 -3.349 -14.157 6.467 1.00 0.00 O ATOM 1732 CB LEU A 111 -5.413 -11.624 6.968 1.00 0.00 C ATOM 1733 CG LEU A 111 -5.737 -10.147 7.196 1.00 0.00 C ATOM 1734 CD1 LEU A 111 -6.813 -9.681 6.228 1.00 0.00 C ATOM 1735 CD2 LEU A 111 -6.173 -9.913 8.635 1.00 0.00 C ATOM 0 H LEU A 111 -3.288 -10.766 6.064 1.00 0.00 H new ATOM 0 HA LEU A 111 -3.953 -11.817 8.534 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -5.462 -11.825 5.898 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -6.191 -12.223 7.441 1.00 0.00 H new ATOM 0 HG LEU A 111 -4.835 -9.564 7.012 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -7.030 -8.628 6.405 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -6.463 -9.812 5.204 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -7.718 -10.269 6.380 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -6.400 -8.857 8.779 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -7.062 -10.507 8.847 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -5.370 -10.207 9.311 1.00 0.00 H new ATOM 1747 N ASP A 112 -4.587 -14.309 8.339 1.00 0.00 N ATOM 1748 CA ASP A 112 -4.580 -15.767 8.357 1.00 0.00 C ATOM 1749 C ASP A 112 -5.536 -16.327 7.308 1.00 0.00 C ATOM 1750 O ASP A 112 -6.210 -15.576 6.604 1.00 0.00 O ATOM 1751 CB ASP A 112 -4.965 -16.283 9.744 1.00 0.00 C ATOM 1752 CG ASP A 112 -3.969 -15.874 10.811 1.00 0.00 C ATOM 1753 OD1 ASP A 112 -2.964 -16.594 10.991 1.00 0.00 O ATOM 1754 OD2 ASP A 112 -4.194 -14.836 11.467 1.00 0.00 O ATOM 0 H ASP A 112 -5.102 -13.880 9.108 1.00 0.00 H new ATOM 0 HA ASP A 112 -3.571 -16.105 8.120 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -5.952 -15.904 10.008 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -5.038 -17.370 9.717 1.00 0.00 H new ATOM 1759 N ILE A 113 -5.587 -17.651 7.210 1.00 0.00 N ATOM 1760 CA ILE A 113 -6.460 -18.312 6.247 1.00 0.00 C ATOM 1761 C ILE A 113 -7.853 -18.531 6.828 1.00 0.00 C ATOM 1762 O ILE A 113 -8.838 -18.600 6.095 1.00 0.00 O ATOM 1763 CB ILE A 113 -5.882 -19.669 5.802 1.00 0.00 C ATOM 1764 CG1 ILE A 113 -6.745 -20.276 4.694 1.00 0.00 C ATOM 1765 CG2 ILE A 113 -5.787 -20.618 6.987 1.00 0.00 C ATOM 1766 CD1 ILE A 113 -6.700 -19.498 3.398 1.00 0.00 C ATOM 0 H ILE A 113 -5.035 -18.287 7.785 1.00 0.00 H new ATOM 0 HA ILE A 113 -6.530 -17.654 5.381 1.00 0.00 H new ATOM 0 HB ILE A 113 -4.878 -19.509 5.409 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -6.415 -21.298 4.506 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -7.778 -20.333 5.039 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -5.377 -21.572 6.657 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -5.136 -20.187 7.747 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -6.780 -20.776 7.407 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -7.335 -19.986 2.658 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -7.058 -18.483 3.570 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -5.675 -19.463 3.030 1.00 0.00 H new ATOM 1778 N ASN A 114 -7.926 -18.638 8.151 1.00 0.00 N ATOM 1779 CA ASN A 114 -9.199 -18.847 8.831 1.00 0.00 C ATOM 1780 C ASN A 114 -9.593 -17.615 9.640 1.00 0.00 C ATOM 1781 O ASN A 114 -10.069 -17.727 10.769 1.00 0.00 O ATOM 1782 CB ASN A 114 -9.115 -20.068 9.750 1.00 0.00 C ATOM 1783 CG ASN A 114 -9.168 -21.375 8.981 1.00 0.00 C ATOM 1784 OD1 ASN A 114 -10.019 -21.563 8.112 1.00 0.00 O ATOM 1785 ND2 ASN A 114 -8.255 -22.285 9.300 1.00 0.00 N ATOM 0 H ASN A 114 -7.119 -18.583 8.773 1.00 0.00 H new ATOM 0 HA ASN A 114 -9.963 -19.022 8.073 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -8.189 -20.024 10.324 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -9.936 -20.037 10.466 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -8.240 -23.184 8.818 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -7.568 -22.085 10.027 1.00 0.00 H new ATOM 1792 N ASP A 115 -9.392 -16.440 9.053 1.00 0.00 N ATOM 1793 CA ASP A 115 -9.728 -15.186 9.717 1.00 0.00 C ATOM 1794 C ASP A 115 -11.071 -14.655 9.228 1.00 0.00 C ATOM 1795 O ASP A 115 -11.181 -14.151 8.112 1.00 0.00 O ATOM 1796 CB ASP A 115 -8.634 -14.146 9.471 1.00 0.00 C ATOM 1797 CG ASP A 115 -8.707 -12.988 10.447 1.00 0.00 C ATOM 1798 OD1 ASP A 115 -8.587 -13.231 11.666 1.00 0.00 O ATOM 1799 OD2 ASP A 115 -8.885 -11.838 9.992 1.00 0.00 O ATOM 0 H ASP A 115 -8.998 -16.330 8.119 1.00 0.00 H new ATOM 0 HA ASP A 115 -9.802 -15.378 10.787 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -7.658 -14.624 9.551 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -8.720 -13.766 8.453 1.00 0.00 H new