USER MOD reduce.3.24.130724 H: found=0, std=0, add=563, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 561 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 46 THR OG1 : rot -71:sc= 2.38 USER MOD Set 1.2: A 48 THR OG1 : rot -85:sc= 1.23 USER MOD Set 2.1: A 18 SER OG : rot 41:sc= 1.25 USER MOD Set 2.2: A 65 THR OG1 : rot -41:sc= 0.165 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 138:sc= 0.324 (180deg=-0.101) USER MOD Single : A 27 HIS : no HE2:sc= -10.4! C(o=-10!,f=-13!) USER MOD Single : A 28 HIS : no HD1:sc= -2.89 K(o=-2.9,f=-8.9!) USER MOD Single : A 34 LYS NZ :NH3+ 140:sc= -0.705 (180deg=-2.36!) USER MOD Single : A 35 ASN : amide:sc= -0.056 X(o=-0.056,f=0) USER MOD Single : A 38 LYS NZ :NH3+ -127:sc=-0.00662 (180deg=-0.817) USER MOD Single : A 40 GLN :FLIP amide:sc= 0.627 F(o=-1.4,f=0.63) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.0391 K(o=-0.039,f=-2!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 1.2 K(o=1.2,f=-0.096) USER MOD Single : A 61 GLN : amide:sc= -2.09! C(o=-2.1!,f=-5.8!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.257 USER MOD Single : A 68 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0352) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 HIS : no HE2:sc= -1.46 X(o=-1.5,f=-1.6) USER MOD Single : A 82 SER OG : rot 90:sc= 1.26 USER MOD Single : A 85 GLN : amide:sc= -0.71 X(o=-0.71,f=-0.7) USER MOD ----------------------------------------------------------------- ATOM 214 N ALA A 17 12.710 -7.188 -3.923 1.00 0.00 N ATOM 215 CA ALA A 17 11.447 -7.411 -4.616 1.00 0.00 C ATOM 216 C ALA A 17 10.496 -6.237 -4.414 1.00 0.00 C ATOM 217 O ALA A 17 10.668 -5.435 -3.495 1.00 0.00 O ATOM 218 CB ALA A 17 10.803 -8.702 -4.136 1.00 0.00 C ATOM 0 HA ALA A 17 11.656 -7.497 -5.682 1.00 0.00 H new ATOM 0 HB1 ALA A 17 9.861 -8.856 -4.662 1.00 0.00 H new ATOM 0 HB2 ALA A 17 11.472 -9.539 -4.337 1.00 0.00 H new ATOM 0 HB3 ALA A 17 10.614 -8.638 -3.064 1.00 0.00 H new ATOM 224 N SER A 18 9.491 -6.140 -5.279 1.00 0.00 N ATOM 225 CA SER A 18 8.513 -5.060 -5.198 1.00 0.00 C ATOM 226 C SER A 18 7.159 -5.511 -5.735 1.00 0.00 C ATOM 227 O SER A 18 7.076 -6.446 -6.533 1.00 0.00 O ATOM 228 CB SER A 18 9.005 -3.840 -5.980 1.00 0.00 C ATOM 229 OG SER A 18 8.010 -2.831 -6.028 1.00 0.00 O ATOM 0 H SER A 18 9.332 -6.796 -6.044 1.00 0.00 H new ATOM 0 HA SER A 18 8.395 -4.788 -4.149 1.00 0.00 H new ATOM 0 HB2 SER A 18 9.907 -3.444 -5.513 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.275 -4.138 -6.993 1.00 0.00 H new ATOM 0 HG SER A 18 7.572 -2.762 -5.154 1.00 0.00 H new ATOM 235 N ALA A 19 6.101 -4.842 -5.292 1.00 0.00 N ATOM 236 CA ALA A 19 4.750 -5.172 -5.729 1.00 0.00 C ATOM 237 C ALA A 19 3.917 -3.911 -5.938 1.00 0.00 C ATOM 238 O ALA A 19 4.334 -2.811 -5.573 1.00 0.00 O ATOM 239 CB ALA A 19 4.077 -6.090 -4.720 1.00 0.00 C ATOM 0 H ALA A 19 6.153 -4.068 -4.630 1.00 0.00 H new ATOM 0 HA ALA A 19 4.821 -5.692 -6.684 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.069 -6.328 -5.060 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.654 -7.010 -4.624 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.025 -5.591 -3.752 1.00 0.00 H new ATOM 245 N THR A 20 2.737 -4.078 -6.526 1.00 0.00 N ATOM 246 CA THR A 20 1.846 -2.954 -6.784 1.00 0.00 C ATOM 247 C THR A 20 0.397 -3.322 -6.487 1.00 0.00 C ATOM 248 O THR A 20 0.025 -4.495 -6.516 1.00 0.00 O ATOM 249 CB THR A 20 1.954 -2.475 -8.244 1.00 0.00 C ATOM 250 OG1 THR A 20 2.056 -3.602 -9.123 1.00 0.00 O ATOM 251 CG2 THR A 20 3.162 -1.570 -8.431 1.00 0.00 C ATOM 0 H THR A 20 2.376 -4.981 -6.833 1.00 0.00 H new ATOM 0 HA THR A 20 2.156 -2.146 -6.121 1.00 0.00 H new ATOM 0 HB THR A 20 1.055 -1.907 -8.483 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.123 -3.289 -10.049 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.216 -1.245 -9.470 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.068 -0.699 -7.783 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.069 -2.117 -8.174 1.00 0.00 H new ATOM 259 N VAL A 21 -0.419 -2.311 -6.203 1.00 0.00 N ATOM 260 CA VAL A 21 -1.829 -2.528 -5.902 1.00 0.00 C ATOM 261 C VAL A 21 -2.713 -1.563 -6.685 1.00 0.00 C ATOM 262 O VAL A 21 -2.735 -0.364 -6.409 1.00 0.00 O ATOM 263 CB VAL A 21 -2.114 -2.363 -4.397 1.00 0.00 C ATOM 264 CG1 VAL A 21 -1.635 -1.004 -3.910 1.00 0.00 C ATOM 265 CG2 VAL A 21 -3.597 -2.549 -4.113 1.00 0.00 C ATOM 0 H VAL A 21 -0.127 -1.334 -6.175 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.062 -3.551 -6.198 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.565 -3.131 -3.853 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.844 -0.905 -2.845 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.562 -0.915 -4.079 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.155 -0.218 -4.457 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.781 -2.429 -3.045 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.170 -1.804 -4.666 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.905 -3.547 -4.424 1.00 0.00 H new ATOM 275 N ALA A 22 -3.440 -2.094 -7.662 1.00 0.00 N ATOM 276 CA ALA A 22 -4.327 -1.281 -8.484 1.00 0.00 C ATOM 277 C ALA A 22 -5.443 -0.667 -7.643 1.00 0.00 C ATOM 278 O ALA A 22 -6.285 -1.379 -7.097 1.00 0.00 O ATOM 279 CB ALA A 22 -4.913 -2.114 -9.614 1.00 0.00 C ATOM 0 H ALA A 22 -3.432 -3.085 -7.904 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.741 -0.469 -8.914 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.573 -1.493 -10.219 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.107 -2.501 -10.237 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.480 -2.946 -9.196 1.00 0.00 H new ATOM 285 N ILE A 23 -5.442 0.658 -7.545 1.00 0.00 N ATOM 286 CA ILE A 23 -6.455 1.367 -6.772 1.00 0.00 C ATOM 287 C ILE A 23 -6.857 2.669 -7.457 1.00 0.00 C ATOM 288 O ILE A 23 -6.102 3.248 -8.239 1.00 0.00 O ATOM 289 CB ILE A 23 -5.959 1.680 -5.348 1.00 0.00 C ATOM 290 CG1 ILE A 23 -4.512 2.175 -5.386 1.00 0.00 C ATOM 291 CG2 ILE A 23 -6.080 0.450 -4.462 1.00 0.00 C ATOM 292 CD1 ILE A 23 -3.955 2.521 -4.023 1.00 0.00 C ATOM 0 H ILE A 23 -4.752 1.262 -7.991 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.322 0.710 -6.709 1.00 0.00 H new ATOM 0 HB ILE A 23 -6.583 2.469 -4.928 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.886 1.407 -5.841 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.454 3.055 -6.027 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -5.725 0.688 -3.459 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.123 0.138 -4.414 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.478 -0.358 -4.877 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.926 2.864 -4.127 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -4.557 3.311 -3.574 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.980 1.638 -3.385 1.00 0.00 H new ATOM 304 N PRO A 24 -8.075 3.144 -7.155 1.00 0.00 N ATOM 305 CA PRO A 24 -8.606 4.385 -7.729 1.00 0.00 C ATOM 306 C PRO A 24 -7.885 5.621 -7.201 1.00 0.00 C ATOM 307 O PRO A 24 -7.594 5.722 -6.009 1.00 0.00 O ATOM 308 CB PRO A 24 -10.068 4.385 -7.280 1.00 0.00 C ATOM 309 CG PRO A 24 -10.086 3.558 -6.041 1.00 0.00 C ATOM 310 CD PRO A 24 -9.028 2.506 -6.232 1.00 0.00 C ATOM 0 HA PRO A 24 -8.479 4.422 -8.811 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.422 5.397 -7.085 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.717 3.963 -8.047 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -9.877 4.167 -5.162 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -11.065 3.104 -5.889 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.554 2.237 -5.288 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.443 1.590 -6.653 1.00 0.00 H new ATOM 318 N LYS A 25 -7.599 6.561 -8.096 1.00 0.00 N ATOM 319 CA LYS A 25 -6.916 7.792 -7.721 1.00 0.00 C ATOM 320 C LYS A 25 -7.612 8.465 -6.543 1.00 0.00 C ATOM 321 O LYS A 25 -7.039 9.333 -5.885 1.00 0.00 O ATOM 322 CB LYS A 25 -6.861 8.753 -8.911 1.00 0.00 C ATOM 323 CG LYS A 25 -6.192 8.162 -10.140 1.00 0.00 C ATOM 324 CD LYS A 25 -4.687 8.055 -9.958 1.00 0.00 C ATOM 325 CE LYS A 25 -3.996 9.381 -10.234 1.00 0.00 C ATOM 326 NZ LYS A 25 -4.006 9.720 -11.684 1.00 0.00 N ATOM 0 H LYS A 25 -7.830 6.493 -9.087 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.900 7.536 -7.421 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -7.876 9.055 -9.170 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -6.325 9.655 -8.614 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.606 7.174 -10.341 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.411 8.783 -11.009 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.465 7.733 -8.941 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.292 7.291 -10.628 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.492 10.173 -9.672 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.967 9.335 -9.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.221 10.731 -11.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.073 9.513 -12.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.731 9.153 -12.168 1.00 0.00 H new ATOM 340 N GLU A 26 -8.850 8.056 -6.281 1.00 0.00 N ATOM 341 CA GLU A 26 -9.623 8.620 -5.181 1.00 0.00 C ATOM 342 C GLU A 26 -9.152 8.061 -3.842 1.00 0.00 C ATOM 343 O GLU A 26 -9.194 8.747 -2.820 1.00 0.00 O ATOM 344 CB GLU A 26 -11.113 8.328 -5.372 1.00 0.00 C ATOM 345 CG GLU A 26 -11.875 8.175 -4.068 1.00 0.00 C ATOM 346 CD GLU A 26 -13.347 8.515 -4.209 1.00 0.00 C ATOM 347 OE1 GLU A 26 -14.063 7.767 -4.906 1.00 0.00 O ATOM 348 OE2 GLU A 26 -13.781 9.527 -3.621 1.00 0.00 O ATOM 0 H GLU A 26 -9.338 7.337 -6.815 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.469 9.699 -5.179 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.561 9.135 -5.952 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.224 7.415 -5.957 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.775 7.150 -3.711 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.428 8.820 -3.312 1.00 0.00 H new ATOM 355 N HIS A 27 -8.703 6.809 -3.855 1.00 0.00 N ATOM 356 CA HIS A 27 -8.224 6.156 -2.642 1.00 0.00 C ATOM 357 C HIS A 27 -6.741 6.439 -2.422 1.00 0.00 C ATOM 358 O HIS A 27 -6.195 6.153 -1.356 1.00 0.00 O ATOM 359 CB HIS A 27 -8.462 4.648 -2.722 1.00 0.00 C ATOM 360 CG HIS A 27 -9.910 4.272 -2.790 1.00 0.00 C ATOM 361 ND1 HIS A 27 -10.347 3.040 -3.228 1.00 0.00 N ATOM 362 CD2 HIS A 27 -11.023 4.974 -2.473 1.00 0.00 C ATOM 363 CE1 HIS A 27 -11.667 3.001 -3.178 1.00 0.00 C ATOM 364 NE2 HIS A 27 -12.101 4.162 -2.722 1.00 0.00 N ATOM 0 H HIS A 27 -8.661 6.227 -4.692 1.00 0.00 H new ATOM 0 HA HIS A 27 -8.781 6.560 -1.797 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.951 4.254 -3.601 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -8.012 4.171 -1.851 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -9.746 2.278 -3.542 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -11.057 5.985 -2.095 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -12.286 2.162 -3.462 1.00 0.00 H new ATOM 372 N HIS A 28 -6.094 7.002 -3.439 1.00 0.00 N ATOM 373 CA HIS A 28 -4.674 7.323 -3.356 1.00 0.00 C ATOM 374 C HIS A 28 -4.409 8.335 -2.246 1.00 0.00 C ATOM 375 O HIS A 28 -3.452 8.198 -1.484 1.00 0.00 O ATOM 376 CB HIS A 28 -4.176 7.873 -4.693 1.00 0.00 C ATOM 377 CG HIS A 28 -3.744 6.810 -5.655 1.00 0.00 C ATOM 378 ND1 HIS A 28 -2.657 6.949 -6.493 1.00 0.00 N ATOM 379 CD2 HIS A 28 -4.257 5.584 -5.909 1.00 0.00 C ATOM 380 CE1 HIS A 28 -2.523 5.856 -7.221 1.00 0.00 C ATOM 381 NE2 HIS A 28 -3.482 5.010 -6.886 1.00 0.00 N ATOM 0 H HIS A 28 -6.530 7.245 -4.328 1.00 0.00 H new ATOM 0 HA HIS A 28 -4.132 6.406 -3.124 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -4.969 8.465 -5.151 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -3.339 8.547 -4.510 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -5.117 5.139 -5.431 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -1.759 5.682 -7.964 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -3.623 4.083 -7.287 1.00 0.00 H new ATOM 389 N ARG A 29 -5.262 9.351 -2.161 1.00 0.00 N ATOM 390 CA ARG A 29 -5.119 10.386 -1.145 1.00 0.00 C ATOM 391 C ARG A 29 -5.238 9.794 0.256 1.00 0.00 C ATOM 392 O ARG A 29 -4.539 10.211 1.179 1.00 0.00 O ATOM 393 CB ARG A 29 -6.176 11.474 -1.343 1.00 0.00 C ATOM 394 CG ARG A 29 -7.593 11.006 -1.051 1.00 0.00 C ATOM 395 CD ARG A 29 -8.552 12.180 -0.924 1.00 0.00 C ATOM 396 NE ARG A 29 -8.388 12.886 0.343 1.00 0.00 N ATOM 397 CZ ARG A 29 -9.081 13.969 0.677 1.00 0.00 C ATOM 398 NH1 ARG A 29 -9.980 14.467 -0.161 1.00 0.00 N ATOM 399 NH2 ARG A 29 -8.876 14.556 1.849 1.00 0.00 N ATOM 0 H ARG A 29 -6.059 9.479 -2.784 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.128 10.828 -1.250 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.941 12.319 -0.696 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.126 11.835 -2.370 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -7.930 10.344 -1.848 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.603 10.425 -0.129 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -8.388 12.873 -1.749 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -9.578 11.821 -1.009 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.703 12.528 1.009 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -10.140 14.018 -1.063 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -10.512 15.299 0.096 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.185 14.176 2.496 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.409 15.387 2.103 1.00 0.00 H new ATOM 413 N PHE A 30 -6.129 8.819 0.407 1.00 0.00 N ATOM 414 CA PHE A 30 -6.341 8.170 1.695 1.00 0.00 C ATOM 415 C PHE A 30 -5.071 7.469 2.167 1.00 0.00 C ATOM 416 O PHE A 30 -4.809 7.378 3.366 1.00 0.00 O ATOM 417 CB PHE A 30 -7.489 7.162 1.599 1.00 0.00 C ATOM 418 CG PHE A 30 -8.845 7.775 1.803 1.00 0.00 C ATOM 419 CD1 PHE A 30 -9.556 8.289 0.731 1.00 0.00 C ATOM 420 CD2 PHE A 30 -9.408 7.835 3.068 1.00 0.00 C ATOM 421 CE1 PHE A 30 -10.803 8.854 0.916 1.00 0.00 C ATOM 422 CE2 PHE A 30 -10.655 8.398 3.259 1.00 0.00 C ATOM 423 CZ PHE A 30 -11.355 8.908 2.182 1.00 0.00 C ATOM 0 H PHE A 30 -6.716 8.461 -0.347 1.00 0.00 H new ATOM 0 HA PHE A 30 -6.601 8.939 2.423 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.460 6.682 0.621 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -7.338 6.379 2.342 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -9.131 8.248 -0.261 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.866 7.437 3.913 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -11.346 9.253 0.072 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.083 8.440 4.250 1.00 0.00 H new ATOM 0 HZ PHE A 30 -12.331 9.347 2.329 1.00 0.00 H new ATOM 433 N VAL A 31 -4.286 6.976 1.215 1.00 0.00 N ATOM 434 CA VAL A 31 -3.043 6.284 1.532 1.00 0.00 C ATOM 435 C VAL A 31 -1.952 7.270 1.938 1.00 0.00 C ATOM 436 O VAL A 31 -1.113 6.966 2.785 1.00 0.00 O ATOM 437 CB VAL A 31 -2.545 5.448 0.337 1.00 0.00 C ATOM 438 CG1 VAL A 31 -1.234 4.756 0.679 1.00 0.00 C ATOM 439 CG2 VAL A 31 -3.600 4.436 -0.081 1.00 0.00 C ATOM 0 H VAL A 31 -4.489 7.043 0.218 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.256 5.618 2.368 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.365 6.118 -0.504 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.898 4.170 -0.177 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.481 5.505 0.925 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.383 4.097 1.534 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.232 3.854 -0.926 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.814 3.768 0.753 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.511 4.959 -0.370 1.00 0.00 H new ATOM 449 N ILE A 32 -1.974 8.451 1.329 1.00 0.00 N ATOM 450 CA ILE A 32 -0.988 9.482 1.628 1.00 0.00 C ATOM 451 C ILE A 32 -1.240 10.101 2.999 1.00 0.00 C ATOM 452 O ILE A 32 -0.314 10.295 3.784 1.00 0.00 O ATOM 453 CB ILE A 32 -0.997 10.595 0.564 1.00 0.00 C ATOM 454 CG1 ILE A 32 -0.578 10.033 -0.795 1.00 0.00 C ATOM 455 CG2 ILE A 32 -0.076 11.733 0.981 1.00 0.00 C ATOM 456 CD1 ILE A 32 -0.829 10.984 -1.945 1.00 0.00 C ATOM 0 H ILE A 32 -2.663 8.717 0.626 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.012 8.997 1.625 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.010 10.987 0.477 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.483 9.784 -0.765 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.118 9.104 -0.977 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.093 12.512 0.219 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.416 12.147 1.931 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.941 11.356 1.092 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.508 10.520 -2.878 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -1.893 11.214 -2.001 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.267 11.904 -1.786 1.00 0.00 H new ATOM 468 N GLY A 33 -2.503 10.410 3.280 1.00 0.00 N ATOM 469 CA GLY A 33 -2.855 11.003 4.556 1.00 0.00 C ATOM 470 C GLY A 33 -3.586 12.322 4.401 1.00 0.00 C ATOM 471 O GLY A 33 -3.471 12.987 3.371 1.00 0.00 O ATOM 0 H GLY A 33 -3.288 10.260 2.646 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.481 10.308 5.116 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.950 11.160 5.142 1.00 0.00 H new ATOM 475 N LYS A 34 -4.340 12.703 5.426 1.00 0.00 N ATOM 476 CA LYS A 34 -5.093 13.951 5.400 1.00 0.00 C ATOM 477 C LYS A 34 -4.203 15.114 4.970 1.00 0.00 C ATOM 478 O LYS A 34 -4.467 15.769 3.962 1.00 0.00 O ATOM 479 CB LYS A 34 -5.692 14.238 6.778 1.00 0.00 C ATOM 480 CG LYS A 34 -6.695 13.193 7.235 1.00 0.00 C ATOM 481 CD LYS A 34 -8.051 13.397 6.580 1.00 0.00 C ATOM 482 CE LYS A 34 -8.875 14.440 7.319 1.00 0.00 C ATOM 483 NZ LYS A 34 -8.542 15.823 6.880 1.00 0.00 N ATOM 0 H LYS A 34 -4.446 12.165 6.286 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.900 13.844 4.675 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.886 14.300 7.509 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.180 15.213 6.757 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.320 12.198 6.995 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -6.803 13.240 8.319 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.913 13.708 5.544 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -8.593 12.451 6.560 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.935 14.251 7.151 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.701 14.347 8.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.414 16.386 6.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.899 16.261 7.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.080 15.790 5.949 1.00 0.00 H new ATOM 497 N ASN A 35 -3.149 15.363 5.738 1.00 0.00 N ATOM 498 CA ASN A 35 -2.220 16.446 5.435 1.00 0.00 C ATOM 499 C ASN A 35 -0.869 15.896 4.988 1.00 0.00 C ATOM 500 O ASN A 35 0.088 16.645 4.800 1.00 0.00 O ATOM 501 CB ASN A 35 -2.037 17.347 6.658 1.00 0.00 C ATOM 502 CG ASN A 35 -3.357 17.717 7.306 1.00 0.00 C ATOM 503 OD1 ASN A 35 -3.949 18.749 6.987 1.00 0.00 O ATOM 504 ND2 ASN A 35 -3.825 16.876 8.221 1.00 0.00 N ATOM 0 H ASN A 35 -2.916 14.830 6.576 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.641 17.033 4.619 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.406 16.840 7.388 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.514 18.256 6.361 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.709 17.074 8.691 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -3.301 16.033 8.454 1.00 0.00 H new ATOM 511 N GLY A 36 -0.799 14.578 4.821 1.00 0.00 N ATOM 512 CA GLY A 36 0.438 13.949 4.398 1.00 0.00 C ATOM 513 C GLY A 36 1.228 13.382 5.561 1.00 0.00 C ATOM 514 O GLY A 36 2.342 13.825 5.838 1.00 0.00 O ATOM 0 H GLY A 36 -1.577 13.936 4.971 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.213 13.150 3.692 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.050 14.679 3.868 1.00 0.00 H new ATOM 518 N GLU A 37 0.649 12.400 6.245 1.00 0.00 N ATOM 519 CA GLU A 37 1.306 11.774 7.387 1.00 0.00 C ATOM 520 C GLU A 37 1.225 10.254 7.295 1.00 0.00 C ATOM 521 O GLU A 37 2.159 9.545 7.672 1.00 0.00 O ATOM 522 CB GLU A 37 0.671 12.253 8.694 1.00 0.00 C ATOM 523 CG GLU A 37 0.310 13.728 8.691 1.00 0.00 C ATOM 524 CD GLU A 37 1.443 14.608 9.180 1.00 0.00 C ATOM 525 OE1 GLU A 37 2.494 14.651 8.508 1.00 0.00 O ATOM 526 OE2 GLU A 37 1.280 15.253 10.237 1.00 0.00 O ATOM 0 H GLU A 37 -0.273 12.021 6.029 1.00 0.00 H new ATOM 0 HA GLU A 37 2.356 12.065 7.374 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.228 11.668 8.887 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.360 12.058 9.516 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.032 14.028 7.680 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.565 13.885 9.322 1.00 0.00 H new ATOM 533 N LYS A 38 0.100 9.756 6.792 1.00 0.00 N ATOM 534 CA LYS A 38 -0.106 8.320 6.648 1.00 0.00 C ATOM 535 C LYS A 38 1.071 7.671 5.926 1.00 0.00 C ATOM 536 O LYS A 38 1.808 6.874 6.510 1.00 0.00 O ATOM 537 CB LYS A 38 -1.403 8.043 5.885 1.00 0.00 C ATOM 538 CG LYS A 38 -1.575 6.587 5.488 1.00 0.00 C ATOM 539 CD LYS A 38 -1.747 5.693 6.705 1.00 0.00 C ATOM 540 CE LYS A 38 -3.211 5.554 7.091 1.00 0.00 C ATOM 541 NZ LYS A 38 -3.641 6.624 8.033 1.00 0.00 N ATOM 0 H LYS A 38 -0.684 10.327 6.477 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.180 7.887 7.646 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.249 8.345 6.502 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.426 8.661 4.987 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.443 6.487 4.836 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.707 6.260 4.915 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.329 4.708 6.496 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.186 6.106 7.543 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.828 5.591 6.193 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.374 4.579 7.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.082 6.193 8.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -2.813 7.182 8.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.328 7.246 7.561 1.00 0.00 H new ATOM 555 N LEU A 39 1.241 8.016 4.655 1.00 0.00 N ATOM 556 CA LEU A 39 2.330 7.468 3.854 1.00 0.00 C ATOM 557 C LEU A 39 3.638 7.469 4.637 1.00 0.00 C ATOM 558 O LEU A 39 4.388 6.494 4.613 1.00 0.00 O ATOM 559 CB LEU A 39 2.495 8.274 2.563 1.00 0.00 C ATOM 560 CG LEU A 39 3.844 8.139 1.856 1.00 0.00 C ATOM 561 CD1 LEU A 39 3.910 6.835 1.077 1.00 0.00 C ATOM 562 CD2 LEU A 39 4.084 9.326 0.934 1.00 0.00 C ATOM 0 H LEU A 39 0.639 8.672 4.157 1.00 0.00 H new ATOM 0 HA LEU A 39 2.080 6.437 3.603 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.711 7.973 1.868 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.331 9.327 2.792 1.00 0.00 H new ATOM 0 HG LEU A 39 4.629 8.127 2.612 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.877 6.756 0.580 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.784 5.996 1.761 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.116 6.817 0.330 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.049 9.213 0.439 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.294 9.370 0.184 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.081 10.247 1.518 1.00 0.00 H new ATOM 574 N GLN A 40 3.904 8.569 5.334 1.00 0.00 N ATOM 575 CA GLN A 40 5.121 8.695 6.128 1.00 0.00 C ATOM 576 C GLN A 40 5.214 7.579 7.162 1.00 0.00 C ATOM 577 O GLN A 40 6.192 6.831 7.195 1.00 0.00 O ATOM 578 CB GLN A 40 5.162 10.057 6.824 1.00 0.00 C ATOM 579 CG GLN A 40 4.831 11.221 5.905 1.00 0.00 C ATOM 580 CD GLN A 40 5.401 12.536 6.399 1.00 0.00 C ATOM 581 OE1 GLN A 40 6.702 12.556 6.663 1.00 0.00 O flip ATOM 582 NE2 GLN A 40 4.679 13.523 6.544 1.00 0.00 N flip ATOM 0 H GLN A 40 3.294 9.386 5.365 1.00 0.00 H new ATOM 0 HA GLN A 40 5.974 8.613 5.455 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.459 10.051 7.657 1.00 0.00 H new ATOM 0 HB3 GLN A 40 6.155 10.210 7.247 1.00 0.00 H new ATOM 0 HG2 GLN A 40 5.219 11.013 4.908 1.00 0.00 H new ATOM 0 HG3 GLN A 40 3.749 11.310 5.814 1.00 0.00 H new ATOM 0 HE21 GLN A 40 3.684 13.463 6.329 1.00 0.00 H new ATOM 0 HE22 GLN A 40 5.076 14.401 6.879 1.00 0.00 H new ATOM 591 N ASP A 41 4.193 7.472 8.005 1.00 0.00 N ATOM 592 CA ASP A 41 4.161 6.447 9.040 1.00 0.00 C ATOM 593 C ASP A 41 4.257 5.053 8.428 1.00 0.00 C ATOM 594 O ASP A 41 4.961 4.184 8.944 1.00 0.00 O ATOM 595 CB ASP A 41 2.879 6.566 9.867 1.00 0.00 C ATOM 596 CG ASP A 41 3.047 6.035 11.277 1.00 0.00 C ATOM 597 OD1 ASP A 41 3.858 6.608 12.035 1.00 0.00 O ATOM 598 OD2 ASP A 41 2.366 5.046 11.622 1.00 0.00 O ATOM 0 H ASP A 41 3.376 8.083 7.991 1.00 0.00 H new ATOM 0 HA ASP A 41 5.021 6.598 9.692 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.574 7.611 9.910 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.077 6.020 9.370 1.00 0.00 H new ATOM 603 N LEU A 42 3.546 4.846 7.325 1.00 0.00 N ATOM 604 CA LEU A 42 3.550 3.557 6.642 1.00 0.00 C ATOM 605 C LEU A 42 4.955 3.196 6.169 1.00 0.00 C ATOM 606 O LEU A 42 5.462 2.117 6.468 1.00 0.00 O ATOM 607 CB LEU A 42 2.590 3.586 5.452 1.00 0.00 C ATOM 608 CG LEU A 42 1.150 3.164 5.741 1.00 0.00 C ATOM 609 CD1 LEU A 42 0.314 3.214 4.471 1.00 0.00 C ATOM 610 CD2 LEU A 42 1.114 1.770 6.352 1.00 0.00 C ATOM 0 H LEU A 42 2.959 5.554 6.884 1.00 0.00 H new ATOM 0 HA LEU A 42 3.219 2.797 7.350 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.576 4.598 5.046 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.989 2.936 4.673 1.00 0.00 H new ATOM 0 HG LEU A 42 0.724 3.864 6.460 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.708 2.910 4.696 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.312 4.230 4.076 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.738 2.537 3.729 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.080 1.487 6.551 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.559 1.057 5.658 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.677 1.767 7.285 1.00 0.00 H new ATOM 622 N GLU A 43 5.578 4.111 5.430 1.00 0.00 N ATOM 623 CA GLU A 43 6.925 3.889 4.918 1.00 0.00 C ATOM 624 C GLU A 43 7.860 3.421 6.030 1.00 0.00 C ATOM 625 O GLU A 43 8.691 2.535 5.827 1.00 0.00 O ATOM 626 CB GLU A 43 7.470 5.168 4.282 1.00 0.00 C ATOM 627 CG GLU A 43 7.076 5.339 2.825 1.00 0.00 C ATOM 628 CD GLU A 43 7.552 6.657 2.242 1.00 0.00 C ATOM 629 OE1 GLU A 43 7.023 7.712 2.650 1.00 0.00 O ATOM 630 OE2 GLU A 43 8.454 6.631 1.379 1.00 0.00 O ATOM 0 H GLU A 43 5.171 5.011 5.174 1.00 0.00 H new ATOM 0 HA GLU A 43 6.873 3.109 4.159 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.112 6.027 4.850 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.557 5.167 4.358 1.00 0.00 H new ATOM 0 HG2 GLU A 43 7.491 4.517 2.242 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.991 5.277 2.736 1.00 0.00 H new ATOM 637 N LEU A 44 7.720 4.025 7.205 1.00 0.00 N ATOM 638 CA LEU A 44 8.552 3.672 8.350 1.00 0.00 C ATOM 639 C LEU A 44 8.111 2.344 8.956 1.00 0.00 C ATOM 640 O LEU A 44 8.852 1.362 8.931 1.00 0.00 O ATOM 641 CB LEU A 44 8.490 4.774 9.409 1.00 0.00 C ATOM 642 CG LEU A 44 9.337 6.018 9.134 1.00 0.00 C ATOM 643 CD1 LEU A 44 8.866 7.184 9.989 1.00 0.00 C ATOM 644 CD2 LEU A 44 10.809 5.728 9.389 1.00 0.00 C ATOM 0 H LEU A 44 7.039 4.761 7.390 1.00 0.00 H new ATOM 0 HA LEU A 44 9.580 3.567 8.002 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.451 5.084 9.522 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.802 4.351 10.364 1.00 0.00 H new ATOM 0 HG LEU A 44 9.217 6.291 8.086 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.480 8.060 9.780 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.824 7.407 9.758 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.955 6.922 11.043 1.00 0.00 H new ATOM 0 HD21 LEU A 44 11.396 6.624 9.188 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.946 5.429 10.428 1.00 0.00 H new ATOM 0 HD23 LEU A 44 11.140 4.923 8.733 1.00 0.00 H new ATOM 656 N LYS A 45 6.897 2.322 9.498 1.00 0.00 N ATOM 657 CA LYS A 45 6.354 1.114 10.107 1.00 0.00 C ATOM 658 C LYS A 45 6.622 -0.106 9.230 1.00 0.00 C ATOM 659 O LYS A 45 6.855 -1.206 9.734 1.00 0.00 O ATOM 660 CB LYS A 45 4.849 1.268 10.339 1.00 0.00 C ATOM 661 CG LYS A 45 4.229 0.108 11.100 1.00 0.00 C ATOM 662 CD LYS A 45 2.900 0.497 11.723 1.00 0.00 C ATOM 663 CE LYS A 45 1.786 0.526 10.688 1.00 0.00 C ATOM 664 NZ LYS A 45 0.530 1.104 11.241 1.00 0.00 N ATOM 0 H LYS A 45 6.271 3.127 9.528 1.00 0.00 H new ATOM 0 HA LYS A 45 6.850 0.966 11.066 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.667 2.191 10.889 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.350 1.368 9.375 1.00 0.00 H new ATOM 0 HG2 LYS A 45 4.082 -0.735 10.424 1.00 0.00 H new ATOM 0 HG3 LYS A 45 4.914 -0.224 11.880 1.00 0.00 H new ATOM 0 HD2 LYS A 45 2.646 -0.210 12.512 1.00 0.00 H new ATOM 0 HD3 LYS A 45 2.989 1.478 12.190 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.106 1.111 9.826 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.594 -0.486 10.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.205 1.106 10.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.210 0.531 12.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.706 2.079 11.557 1.00 0.00 H new ATOM 678 N THR A 46 6.589 0.096 7.918 1.00 0.00 N ATOM 679 CA THR A 46 6.829 -0.986 6.972 1.00 0.00 C ATOM 680 C THR A 46 8.256 -0.944 6.438 1.00 0.00 C ATOM 681 O THR A 46 8.760 -1.934 5.906 1.00 0.00 O ATOM 682 CB THR A 46 5.848 -0.924 5.786 1.00 0.00 C ATOM 683 OG1 THR A 46 6.189 0.168 4.925 1.00 0.00 O ATOM 684 CG2 THR A 46 4.416 -0.762 6.276 1.00 0.00 C ATOM 0 H THR A 46 6.398 1.000 7.485 1.00 0.00 H new ATOM 0 HA THR A 46 6.674 -1.919 7.514 1.00 0.00 H new ATOM 0 HB THR A 46 5.922 -1.860 5.232 1.00 0.00 H new ATOM 0 HG1 THR A 46 5.970 1.014 5.368 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.741 -0.721 5.421 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.150 -1.609 6.908 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.330 0.160 6.851 1.00 0.00 H new ATOM 692 N ALA A 47 8.903 0.207 6.583 1.00 0.00 N ATOM 693 CA ALA A 47 10.275 0.377 6.118 1.00 0.00 C ATOM 694 C ALA A 47 10.386 0.092 4.623 1.00 0.00 C ATOM 695 O ALA A 47 11.396 -0.435 4.154 1.00 0.00 O ATOM 696 CB ALA A 47 11.214 -0.528 6.900 1.00 0.00 C ATOM 0 H ALA A 47 8.500 1.036 7.019 1.00 0.00 H new ATOM 0 HA ALA A 47 10.564 1.414 6.287 1.00 0.00 H new ATOM 0 HB1 ALA A 47 12.234 -0.390 6.542 1.00 0.00 H new ATOM 0 HB2 ALA A 47 11.164 -0.276 7.959 1.00 0.00 H new ATOM 0 HB3 ALA A 47 10.918 -1.568 6.760 1.00 0.00 H new ATOM 702 N THR A 48 9.342 0.446 3.878 1.00 0.00 N ATOM 703 CA THR A 48 9.322 0.226 2.438 1.00 0.00 C ATOM 704 C THR A 48 9.388 1.547 1.680 1.00 0.00 C ATOM 705 O THR A 48 9.312 2.622 2.276 1.00 0.00 O ATOM 706 CB THR A 48 8.059 -0.540 2.004 1.00 0.00 C ATOM 707 OG1 THR A 48 6.889 0.206 2.355 1.00 0.00 O ATOM 708 CG2 THR A 48 8.007 -1.913 2.657 1.00 0.00 C ATOM 0 H THR A 48 8.500 0.886 4.249 1.00 0.00 H new ATOM 0 HA THR A 48 10.201 -0.373 2.197 1.00 0.00 H new ATOM 0 HB THR A 48 8.094 -0.671 0.923 1.00 0.00 H new ATOM 0 HG1 THR A 48 6.641 0.009 3.282 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.106 -2.435 2.335 1.00 0.00 H new ATOM 0 HG22 THR A 48 8.885 -2.489 2.363 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.993 -1.800 3.741 1.00 0.00 H new ATOM 716 N LYS A 49 9.527 1.461 0.361 1.00 0.00 N ATOM 717 CA LYS A 49 9.602 2.650 -0.480 1.00 0.00 C ATOM 718 C LYS A 49 8.345 2.791 -1.333 1.00 0.00 C ATOM 719 O LYS A 49 8.323 2.382 -2.494 1.00 0.00 O ATOM 720 CB LYS A 49 10.837 2.587 -1.380 1.00 0.00 C ATOM 721 CG LYS A 49 11.211 3.926 -1.993 1.00 0.00 C ATOM 722 CD LYS A 49 11.875 4.839 -0.977 1.00 0.00 C ATOM 723 CE LYS A 49 13.287 4.376 -0.649 1.00 0.00 C ATOM 724 NZ LYS A 49 13.945 5.265 0.347 1.00 0.00 N ATOM 0 H LYS A 49 9.590 0.580 -0.149 1.00 0.00 H new ATOM 0 HA LYS A 49 9.679 3.521 0.171 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.681 2.214 -0.799 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.658 1.868 -2.179 1.00 0.00 H new ATOM 0 HG2 LYS A 49 11.885 3.766 -2.835 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.317 4.409 -2.388 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.906 5.857 -1.366 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.279 4.865 -0.065 1.00 0.00 H new ATOM 0 HE2 LYS A 49 13.254 3.358 -0.261 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.882 4.350 -1.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 14.905 4.916 0.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.999 6.232 -0.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.391 5.270 1.227 1.00 0.00 H new ATOM 738 N ILE A 50 7.302 3.374 -0.751 1.00 0.00 N ATOM 739 CA ILE A 50 6.044 3.570 -1.459 1.00 0.00 C ATOM 740 C ILE A 50 6.172 4.664 -2.514 1.00 0.00 C ATOM 741 O ILE A 50 6.819 5.685 -2.287 1.00 0.00 O ATOM 742 CB ILE A 50 4.904 3.938 -0.491 1.00 0.00 C ATOM 743 CG1 ILE A 50 4.788 2.889 0.617 1.00 0.00 C ATOM 744 CG2 ILE A 50 3.589 4.067 -1.245 1.00 0.00 C ATOM 745 CD1 ILE A 50 3.994 3.361 1.815 1.00 0.00 C ATOM 0 H ILE A 50 7.304 3.719 0.209 1.00 0.00 H new ATOM 0 HA ILE A 50 5.805 2.624 -1.946 1.00 0.00 H new ATOM 0 HB ILE A 50 5.133 4.900 -0.033 1.00 0.00 H new ATOM 0 HG12 ILE A 50 4.319 1.993 0.210 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.788 2.605 0.943 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.793 4.327 -0.547 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.678 4.847 -2.001 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.352 3.119 -1.728 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.953 2.567 2.560 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.474 4.239 2.247 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.982 3.618 1.502 1.00 0.00 H new ATOM 757 N GLN A 51 5.549 4.442 -3.667 1.00 0.00 N ATOM 758 CA GLN A 51 5.593 5.409 -4.757 1.00 0.00 C ATOM 759 C GLN A 51 4.215 5.583 -5.387 1.00 0.00 C ATOM 760 O GLN A 51 3.664 4.644 -5.964 1.00 0.00 O ATOM 761 CB GLN A 51 6.601 4.967 -5.818 1.00 0.00 C ATOM 762 CG GLN A 51 7.236 6.124 -6.574 1.00 0.00 C ATOM 763 CD GLN A 51 8.386 6.756 -5.816 1.00 0.00 C ATOM 764 OE1 GLN A 51 8.343 6.882 -4.591 1.00 0.00 O ATOM 765 NE2 GLN A 51 9.424 7.157 -6.539 1.00 0.00 N ATOM 0 H GLN A 51 5.008 3.601 -3.870 1.00 0.00 H new ATOM 0 HA GLN A 51 5.907 6.368 -4.346 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.386 4.382 -5.340 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.102 4.309 -6.530 1.00 0.00 H new ATOM 0 HG2 GLN A 51 7.595 5.768 -7.540 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.478 6.881 -6.774 1.00 0.00 H new ATOM 0 HE21 GLN A 51 9.418 7.034 -7.551 1.00 0.00 H new ATOM 0 HE22 GLN A 51 10.227 7.589 -6.082 1.00 0.00 H new ATOM 774 N ILE A 52 3.664 6.786 -5.273 1.00 0.00 N ATOM 775 CA ILE A 52 2.352 7.081 -5.833 1.00 0.00 C ATOM 776 C ILE A 52 2.472 7.890 -7.120 1.00 0.00 C ATOM 777 O ILE A 52 3.227 8.858 -7.206 1.00 0.00 O ATOM 778 CB ILE A 52 1.475 7.857 -4.833 1.00 0.00 C ATOM 779 CG1 ILE A 52 1.336 7.073 -3.526 1.00 0.00 C ATOM 780 CG2 ILE A 52 0.106 8.139 -5.435 1.00 0.00 C ATOM 781 CD1 ILE A 52 0.874 7.917 -2.360 1.00 0.00 C ATOM 0 H ILE A 52 4.106 7.573 -4.798 1.00 0.00 H new ATOM 0 HA ILE A 52 1.880 6.123 -6.052 1.00 0.00 H new ATOM 0 HB ILE A 52 1.957 8.810 -4.614 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.629 6.257 -3.675 1.00 0.00 H new ATOM 0 HG13 ILE A 52 2.297 6.622 -3.279 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -0.502 8.688 -4.716 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.222 8.734 -6.341 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.385 7.197 -5.680 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.798 7.295 -1.468 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.592 8.718 -2.184 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.102 8.347 -2.586 1.00 0.00 H new ATOM 793 N PRO A 53 1.708 7.486 -8.146 1.00 0.00 N ATOM 794 CA PRO A 53 1.708 8.161 -9.447 1.00 0.00 C ATOM 795 C PRO A 53 1.066 9.543 -9.385 1.00 0.00 C ATOM 796 O PRO A 53 0.226 9.809 -8.524 1.00 0.00 O ATOM 797 CB PRO A 53 0.880 7.226 -10.332 1.00 0.00 C ATOM 798 CG PRO A 53 -0.006 6.494 -9.385 1.00 0.00 C ATOM 799 CD PRO A 53 0.782 6.340 -8.114 1.00 0.00 C ATOM 0 HA PRO A 53 2.719 8.335 -9.815 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.299 7.786 -11.065 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.518 6.539 -10.888 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -0.928 7.047 -9.207 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.290 5.522 -9.788 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.137 6.369 -7.236 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.318 5.391 -8.086 1.00 0.00 H new ATOM 807 N ARG A 54 1.465 10.418 -10.302 1.00 0.00 N ATOM 808 CA ARG A 54 0.929 11.773 -10.349 1.00 0.00 C ATOM 809 C ARG A 54 -0.566 11.755 -10.657 1.00 0.00 C ATOM 810 O ARG A 54 -1.101 10.789 -11.200 1.00 0.00 O ATOM 811 CB ARG A 54 1.668 12.599 -11.403 1.00 0.00 C ATOM 812 CG ARG A 54 2.889 13.324 -10.861 1.00 0.00 C ATOM 813 CD ARG A 54 3.492 14.253 -11.903 1.00 0.00 C ATOM 814 NE ARG A 54 2.785 15.529 -11.973 1.00 0.00 N ATOM 815 CZ ARG A 54 2.807 16.437 -11.004 1.00 0.00 C ATOM 816 NH1 ARG A 54 3.498 16.210 -9.895 1.00 0.00 N ATOM 817 NH2 ARG A 54 2.138 17.574 -11.141 1.00 0.00 N ATOM 0 H ARG A 54 2.157 10.213 -11.022 1.00 0.00 H new ATOM 0 HA ARG A 54 1.075 12.230 -9.370 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.977 11.942 -12.216 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.980 13.330 -11.827 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.610 13.898 -9.977 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.636 12.596 -10.545 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.541 14.432 -11.666 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.464 13.769 -12.879 1.00 0.00 H new ATOM 0 HE ARG A 54 2.244 15.734 -12.813 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.014 15.337 -9.785 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.514 16.909 -9.152 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.605 17.753 -11.992 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.157 18.270 -10.395 1.00 0.00 H new ATOM 831 N PRO A 55 -1.257 12.848 -10.302 1.00 0.00 N ATOM 832 CA PRO A 55 -2.698 12.983 -10.530 1.00 0.00 C ATOM 833 C PRO A 55 -3.039 13.128 -12.009 1.00 0.00 C ATOM 834 O PRO A 55 -4.188 12.946 -12.412 1.00 0.00 O ATOM 835 CB PRO A 55 -3.060 14.261 -9.769 1.00 0.00 C ATOM 836 CG PRO A 55 -1.794 15.047 -9.726 1.00 0.00 C ATOM 837 CD PRO A 55 -0.683 14.038 -9.649 1.00 0.00 C ATOM 0 HA PRO A 55 -3.248 12.103 -10.197 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -3.852 14.813 -10.276 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -3.421 14.036 -8.765 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -1.693 15.672 -10.613 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -1.777 15.713 -8.863 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.212 14.386 -10.164 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.398 13.832 -8.617 1.00 0.00 H new ATOM 845 N ASP A 56 -2.035 13.458 -12.813 1.00 0.00 N ATOM 846 CA ASP A 56 -2.229 13.625 -14.249 1.00 0.00 C ATOM 847 C ASP A 56 -1.866 12.348 -15.000 1.00 0.00 C ATOM 848 O ASP A 56 -2.351 12.107 -16.106 1.00 0.00 O ATOM 849 CB ASP A 56 -1.386 14.793 -14.765 1.00 0.00 C ATOM 850 CG ASP A 56 -2.031 16.138 -14.494 1.00 0.00 C ATOM 851 OD1 ASP A 56 -2.948 16.520 -15.251 1.00 0.00 O ATOM 852 OD2 ASP A 56 -1.621 16.807 -13.524 1.00 0.00 O ATOM 0 H ASP A 56 -1.079 13.615 -12.495 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.283 13.840 -14.426 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.403 14.763 -14.294 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.229 14.678 -15.838 1.00 0.00 H new ATOM 857 N ASP A 57 -1.010 11.534 -14.392 1.00 0.00 N ATOM 858 CA ASP A 57 -0.581 10.282 -15.003 1.00 0.00 C ATOM 859 C ASP A 57 -1.711 9.257 -14.993 1.00 0.00 C ATOM 860 O ASP A 57 -2.472 9.146 -14.031 1.00 0.00 O ATOM 861 CB ASP A 57 0.638 9.722 -14.269 1.00 0.00 C ATOM 862 CG ASP A 57 1.543 8.915 -15.179 1.00 0.00 C ATOM 863 OD1 ASP A 57 2.013 9.471 -16.193 1.00 0.00 O ATOM 864 OD2 ASP A 57 1.781 7.727 -14.878 1.00 0.00 O ATOM 0 H ASP A 57 -0.600 11.719 -13.477 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.309 10.487 -16.038 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.206 10.545 -13.834 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.304 9.093 -13.444 1.00 0.00 H new ATOM 869 N PRO A 58 -1.826 8.490 -16.087 1.00 0.00 N ATOM 870 CA PRO A 58 -2.861 7.462 -16.228 1.00 0.00 C ATOM 871 C PRO A 58 -2.628 6.274 -15.301 1.00 0.00 C ATOM 872 O PRO A 58 -3.418 5.330 -15.275 1.00 0.00 O ATOM 873 CB PRO A 58 -2.735 7.030 -17.692 1.00 0.00 C ATOM 874 CG PRO A 58 -1.325 7.342 -18.058 1.00 0.00 C ATOM 875 CD PRO A 58 -0.953 8.568 -17.271 1.00 0.00 C ATOM 0 HA PRO A 58 -3.849 7.840 -15.964 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.949 5.968 -17.811 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -3.438 7.570 -18.326 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -0.666 6.508 -17.816 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -1.231 7.523 -19.129 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.101 8.563 -16.994 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.129 9.480 -17.841 1.00 0.00 H new ATOM 883 N SER A 59 -1.538 6.327 -14.541 1.00 0.00 N ATOM 884 CA SER A 59 -1.199 5.253 -13.615 1.00 0.00 C ATOM 885 C SER A 59 -1.856 5.481 -12.256 1.00 0.00 C ATOM 886 O SER A 59 -1.638 6.508 -11.614 1.00 0.00 O ATOM 887 CB SER A 59 0.318 5.152 -13.450 1.00 0.00 C ATOM 888 OG SER A 59 0.911 4.514 -14.568 1.00 0.00 O ATOM 0 H SER A 59 -0.875 7.102 -14.549 1.00 0.00 H new ATOM 0 HA SER A 59 -1.575 4.317 -14.029 1.00 0.00 H new ATOM 0 HB2 SER A 59 0.741 6.149 -13.330 1.00 0.00 H new ATOM 0 HB3 SER A 59 0.552 4.595 -12.543 1.00 0.00 H new ATOM 0 HG SER A 59 1.881 4.463 -14.439 1.00 0.00 H new ATOM 894 N ASN A 60 -2.661 4.515 -11.826 1.00 0.00 N ATOM 895 CA ASN A 60 -3.350 4.609 -10.544 1.00 0.00 C ATOM 896 C ASN A 60 -3.000 3.423 -9.650 1.00 0.00 C ATOM 897 O ASN A 60 -3.765 3.063 -8.756 1.00 0.00 O ATOM 898 CB ASN A 60 -4.864 4.672 -10.759 1.00 0.00 C ATOM 899 CG ASN A 60 -5.382 3.500 -11.570 1.00 0.00 C ATOM 900 OD1 ASN A 60 -5.318 3.505 -12.799 1.00 0.00 O ATOM 901 ND2 ASN A 60 -5.898 2.488 -10.884 1.00 0.00 N ATOM 0 H ASN A 60 -2.852 3.659 -12.346 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.022 5.523 -10.049 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.365 4.690 -9.791 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.118 5.602 -11.267 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.262 1.672 -11.375 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.931 2.527 -9.865 1.00 0.00 H new ATOM 908 N GLN A 61 -1.842 2.824 -9.899 1.00 0.00 N ATOM 909 CA GLN A 61 -1.391 1.679 -9.116 1.00 0.00 C ATOM 910 C GLN A 61 -0.174 2.041 -8.272 1.00 0.00 C ATOM 911 O GLN A 61 0.862 2.445 -8.801 1.00 0.00 O ATOM 912 CB GLN A 61 -1.056 0.504 -10.038 1.00 0.00 C ATOM 913 CG GLN A 61 -2.110 0.248 -11.102 1.00 0.00 C ATOM 914 CD GLN A 61 -1.947 -1.104 -11.770 1.00 0.00 C ATOM 915 OE1 GLN A 61 -2.872 -1.916 -11.788 1.00 0.00 O ATOM 916 NE2 GLN A 61 -0.766 -1.352 -12.325 1.00 0.00 N ATOM 0 H GLN A 61 -1.198 3.111 -10.636 1.00 0.00 H new ATOM 0 HA GLN A 61 -2.200 1.388 -8.446 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.099 0.695 -10.524 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -0.933 -0.396 -9.436 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -3.100 0.309 -10.650 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.056 1.032 -11.858 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -0.027 -0.650 -12.287 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.598 -2.244 -12.790 1.00 0.00 H new ATOM 925 N ILE A 62 -0.306 1.895 -6.958 1.00 0.00 N ATOM 926 CA ILE A 62 0.783 2.206 -6.041 1.00 0.00 C ATOM 927 C ILE A 62 1.874 1.142 -6.101 1.00 0.00 C ATOM 928 O ILE A 62 1.601 -0.028 -6.369 1.00 0.00 O ATOM 929 CB ILE A 62 0.281 2.328 -4.590 1.00 0.00 C ATOM 930 CG1 ILE A 62 -0.456 3.655 -4.393 1.00 0.00 C ATOM 931 CG2 ILE A 62 1.443 2.213 -3.616 1.00 0.00 C ATOM 932 CD1 ILE A 62 -1.212 3.738 -3.086 1.00 0.00 C ATOM 0 H ILE A 62 -1.157 1.563 -6.504 1.00 0.00 H new ATOM 0 HA ILE A 62 1.195 3.165 -6.356 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.415 1.513 -4.392 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.264 4.472 -4.439 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.155 3.799 -5.217 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.072 2.301 -2.595 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.930 1.246 -3.743 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.161 3.009 -3.811 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.710 4.705 -3.014 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.956 2.943 -3.045 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.516 3.626 -2.255 1.00 0.00 H new ATOM 944 N LYS A 63 3.111 1.555 -5.849 1.00 0.00 N ATOM 945 CA LYS A 63 4.244 0.639 -5.871 1.00 0.00 C ATOM 946 C LYS A 63 4.868 0.512 -4.485 1.00 0.00 C ATOM 947 O LYS A 63 4.997 1.499 -3.760 1.00 0.00 O ATOM 948 CB LYS A 63 5.296 1.118 -6.873 1.00 0.00 C ATOM 949 CG LYS A 63 6.369 0.085 -7.171 1.00 0.00 C ATOM 950 CD LYS A 63 7.598 0.721 -7.797 1.00 0.00 C ATOM 951 CE LYS A 63 8.312 -0.244 -8.730 1.00 0.00 C ATOM 952 NZ LYS A 63 9.756 0.091 -8.876 1.00 0.00 N ATOM 0 H LYS A 63 3.354 2.520 -5.627 1.00 0.00 H new ATOM 0 HA LYS A 63 3.879 -0.341 -6.178 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.800 1.393 -7.804 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.770 2.020 -6.486 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.651 -0.424 -6.249 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.968 -0.673 -7.844 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.305 1.614 -8.350 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.282 1.043 -7.012 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.212 -1.260 -8.348 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.834 -0.223 -9.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.207 -0.590 -9.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.852 1.051 -9.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 10.219 0.046 -7.946 1.00 0.00 H new ATOM 966 N ILE A 64 5.255 -0.708 -4.124 1.00 0.00 N ATOM 967 CA ILE A 64 5.868 -0.962 -2.826 1.00 0.00 C ATOM 968 C ILE A 64 7.115 -1.828 -2.967 1.00 0.00 C ATOM 969 O ILE A 64 7.055 -2.941 -3.488 1.00 0.00 O ATOM 970 CB ILE A 64 4.883 -1.651 -1.863 1.00 0.00 C ATOM 971 CG1 ILE A 64 3.846 -2.454 -2.650 1.00 0.00 C ATOM 972 CG2 ILE A 64 4.202 -0.620 -0.974 1.00 0.00 C ATOM 973 CD1 ILE A 64 2.937 -3.288 -1.774 1.00 0.00 C ATOM 0 H ILE A 64 5.155 -1.535 -4.712 1.00 0.00 H new ATOM 0 HA ILE A 64 6.147 0.008 -2.414 1.00 0.00 H new ATOM 0 HB ILE A 64 5.440 -2.338 -1.226 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.239 -1.768 -3.241 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.362 -3.109 -3.352 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.509 -1.122 -0.299 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.954 -0.088 -0.392 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.654 0.090 -1.594 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.227 -3.830 -2.399 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.534 -3.998 -1.202 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.394 -2.637 -1.089 1.00 0.00 H new ATOM 985 N THR A 65 8.245 -1.310 -2.498 1.00 0.00 N ATOM 986 CA THR A 65 9.507 -2.035 -2.570 1.00 0.00 C ATOM 987 C THR A 65 10.098 -2.250 -1.182 1.00 0.00 C ATOM 988 O THR A 65 9.986 -1.392 -0.308 1.00 0.00 O ATOM 989 CB THR A 65 10.534 -1.291 -3.443 1.00 0.00 C ATOM 990 OG1 THR A 65 9.894 -0.760 -4.609 1.00 0.00 O ATOM 991 CG2 THR A 65 11.665 -2.219 -3.859 1.00 0.00 C ATOM 0 H THR A 65 8.312 -0.390 -2.064 1.00 0.00 H new ATOM 0 HA THR A 65 9.289 -3.002 -3.023 1.00 0.00 H new ATOM 0 HB THR A 65 10.952 -0.474 -2.855 1.00 0.00 H new ATOM 0 HG1 THR A 65 9.262 -1.419 -4.964 1.00 0.00 H new ATOM 0 HG21 THR A 65 12.378 -1.671 -4.475 1.00 0.00 H new ATOM 0 HG22 THR A 65 12.170 -2.598 -2.971 1.00 0.00 H new ATOM 0 HG23 THR A 65 11.259 -3.054 -4.430 1.00 0.00 H new ATOM 999 N GLY A 66 10.731 -3.403 -0.984 1.00 0.00 N ATOM 1000 CA GLY A 66 11.332 -3.710 0.301 1.00 0.00 C ATOM 1001 C GLY A 66 11.426 -5.201 0.555 1.00 0.00 C ATOM 1002 O GLY A 66 11.674 -5.982 -0.364 1.00 0.00 O ATOM 0 H GLY A 66 10.838 -4.130 -1.691 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.330 -3.273 0.346 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.745 -3.246 1.093 1.00 0.00 H new ATOM 1006 N THR A 67 11.230 -5.600 1.809 1.00 0.00 N ATOM 1007 CA THR A 67 11.297 -7.007 2.183 1.00 0.00 C ATOM 1008 C THR A 67 9.914 -7.647 2.163 1.00 0.00 C ATOM 1009 O THR A 67 8.910 -6.992 2.442 1.00 0.00 O ATOM 1010 CB THR A 67 11.914 -7.186 3.583 1.00 0.00 C ATOM 1011 OG1 THR A 67 11.098 -6.537 4.565 1.00 0.00 O ATOM 1012 CG2 THR A 67 13.323 -6.618 3.630 1.00 0.00 C ATOM 0 H THR A 67 11.024 -4.968 2.582 1.00 0.00 H new ATOM 0 HA THR A 67 11.933 -7.501 1.448 1.00 0.00 H new ATOM 0 HB THR A 67 11.963 -8.253 3.801 1.00 0.00 H new ATOM 0 HG1 THR A 67 11.496 -6.657 5.452 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.738 -6.756 4.628 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.948 -7.135 2.902 1.00 0.00 H new ATOM 0 HG23 THR A 67 13.295 -5.555 3.393 1.00 0.00 H new ATOM 1020 N LYS A 68 9.868 -8.933 1.831 1.00 0.00 N ATOM 1021 CA LYS A 68 8.608 -9.665 1.776 1.00 0.00 C ATOM 1022 C LYS A 68 7.699 -9.270 2.935 1.00 0.00 C ATOM 1023 O LYS A 68 6.479 -9.214 2.787 1.00 0.00 O ATOM 1024 CB LYS A 68 8.868 -11.173 1.808 1.00 0.00 C ATOM 1025 CG LYS A 68 7.655 -12.007 1.438 1.00 0.00 C ATOM 1026 CD LYS A 68 6.812 -12.338 2.658 1.00 0.00 C ATOM 1027 CE LYS A 68 7.410 -13.486 3.456 1.00 0.00 C ATOM 1028 NZ LYS A 68 7.176 -14.801 2.797 1.00 0.00 N ATOM 0 H LYS A 68 10.689 -9.490 1.596 1.00 0.00 H new ATOM 0 HA LYS A 68 8.108 -9.409 0.842 1.00 0.00 H new ATOM 0 HB2 LYS A 68 9.682 -11.407 1.122 1.00 0.00 H new ATOM 0 HB3 LYS A 68 9.201 -11.455 2.807 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.048 -11.466 0.712 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.980 -12.930 0.958 1.00 0.00 H new ATOM 0 HD2 LYS A 68 6.729 -11.457 3.294 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.802 -12.600 2.343 1.00 0.00 H new ATOM 0 HE2 LYS A 68 8.481 -13.325 3.576 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.976 -13.498 4.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.461 -15.567 3.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.166 -14.899 2.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 7.737 -14.856 1.923 1.00 0.00 H new ATOM 1042 N GLU A 69 8.303 -8.998 4.089 1.00 0.00 N ATOM 1043 CA GLU A 69 7.545 -8.608 5.273 1.00 0.00 C ATOM 1044 C GLU A 69 7.081 -7.158 5.169 1.00 0.00 C ATOM 1045 O GLU A 69 5.885 -6.874 5.192 1.00 0.00 O ATOM 1046 CB GLU A 69 8.394 -8.795 6.532 1.00 0.00 C ATOM 1047 CG GLU A 69 8.620 -10.251 6.903 1.00 0.00 C ATOM 1048 CD GLU A 69 9.122 -10.420 8.324 1.00 0.00 C ATOM 1049 OE1 GLU A 69 10.320 -10.161 8.564 1.00 0.00 O ATOM 1050 OE2 GLU A 69 8.318 -10.810 9.195 1.00 0.00 O ATOM 0 H GLU A 69 9.313 -9.040 4.229 1.00 0.00 H new ATOM 0 HA GLU A 69 6.665 -9.248 5.338 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.360 -8.313 6.384 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.909 -8.287 7.366 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.687 -10.802 6.783 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.340 -10.690 6.213 1.00 0.00 H new ATOM 1057 N GLY A 70 8.039 -6.242 5.056 1.00 0.00 N ATOM 1058 CA GLY A 70 7.711 -4.833 4.951 1.00 0.00 C ATOM 1059 C GLY A 70 6.645 -4.563 3.907 1.00 0.00 C ATOM 1060 O GLY A 70 5.605 -3.978 4.210 1.00 0.00 O ATOM 0 H GLY A 70 9.037 -6.452 5.035 1.00 0.00 H new ATOM 0 HA2 GLY A 70 7.367 -4.470 5.919 1.00 0.00 H new ATOM 0 HA3 GLY A 70 8.611 -4.271 4.701 1.00 0.00 H new ATOM 1064 N ILE A 71 6.905 -4.988 2.676 1.00 0.00 N ATOM 1065 CA ILE A 71 5.960 -4.786 1.584 1.00 0.00 C ATOM 1066 C ILE A 71 4.578 -5.316 1.949 1.00 0.00 C ATOM 1067 O ILE A 71 3.564 -4.677 1.668 1.00 0.00 O ATOM 1068 CB ILE A 71 6.437 -5.477 0.292 1.00 0.00 C ATOM 1069 CG1 ILE A 71 7.824 -4.967 -0.102 1.00 0.00 C ATOM 1070 CG2 ILE A 71 5.440 -5.241 -0.833 1.00 0.00 C ATOM 1071 CD1 ILE A 71 8.406 -5.671 -1.308 1.00 0.00 C ATOM 0 H ILE A 71 7.761 -5.474 2.409 1.00 0.00 H new ATOM 0 HA ILE A 71 5.901 -3.711 1.412 1.00 0.00 H new ATOM 0 HB ILE A 71 6.503 -6.550 0.473 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.764 -3.898 -0.309 1.00 0.00 H new ATOM 0 HG13 ILE A 71 8.501 -5.091 0.743 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.790 -5.735 -1.739 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.469 -5.648 -0.550 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.345 -4.171 -1.017 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.390 -5.259 -1.530 1.00 0.00 H new ATOM 0 HD12 ILE A 71 8.498 -6.737 -1.098 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.750 -5.526 -2.166 1.00 0.00 H new ATOM 1083 N GLU A 72 4.545 -6.486 2.580 1.00 0.00 N ATOM 1084 CA GLU A 72 3.286 -7.100 2.985 1.00 0.00 C ATOM 1085 C GLU A 72 2.472 -6.149 3.859 1.00 0.00 C ATOM 1086 O GLU A 72 1.342 -5.797 3.526 1.00 0.00 O ATOM 1087 CB GLU A 72 3.549 -8.405 3.739 1.00 0.00 C ATOM 1088 CG GLU A 72 3.697 -9.614 2.831 1.00 0.00 C ATOM 1089 CD GLU A 72 2.381 -10.038 2.206 1.00 0.00 C ATOM 1090 OE1 GLU A 72 1.530 -10.591 2.932 1.00 0.00 O ATOM 1091 OE2 GLU A 72 2.205 -9.817 0.989 1.00 0.00 O ATOM 0 H GLU A 72 5.375 -7.027 2.822 1.00 0.00 H new ATOM 0 HA GLU A 72 2.712 -7.318 2.085 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.456 -8.295 4.334 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.730 -8.583 4.436 1.00 0.00 H new ATOM 0 HG2 GLU A 72 4.413 -9.386 2.042 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.108 -10.446 3.403 1.00 0.00 H new ATOM 1098 N LYS A 73 3.059 -5.738 4.979 1.00 0.00 N ATOM 1099 CA LYS A 73 2.391 -4.828 5.901 1.00 0.00 C ATOM 1100 C LYS A 73 1.785 -3.643 5.155 1.00 0.00 C ATOM 1101 O LYS A 73 0.608 -3.329 5.323 1.00 0.00 O ATOM 1102 CB LYS A 73 3.377 -4.327 6.959 1.00 0.00 C ATOM 1103 CG LYS A 73 3.560 -5.286 8.123 1.00 0.00 C ATOM 1104 CD LYS A 73 4.686 -6.272 7.864 1.00 0.00 C ATOM 1105 CE LYS A 73 4.756 -7.337 8.946 1.00 0.00 C ATOM 1106 NZ LYS A 73 3.749 -8.413 8.731 1.00 0.00 N ATOM 0 H LYS A 73 3.995 -6.021 5.269 1.00 0.00 H new ATOM 0 HA LYS A 73 1.586 -5.375 6.392 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.344 -4.152 6.488 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.030 -3.367 7.341 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.772 -4.721 9.031 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.632 -5.830 8.296 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.539 -6.747 6.894 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.635 -5.738 7.817 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.755 -7.773 8.963 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.593 -6.876 9.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 3.829 -9.120 9.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 2.794 -8.002 8.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.920 -8.870 7.813 1.00 0.00 H new ATOM 1120 N ALA A 74 2.598 -2.992 4.330 1.00 0.00 N ATOM 1121 CA ALA A 74 2.141 -1.844 3.555 1.00 0.00 C ATOM 1122 C ALA A 74 1.028 -2.242 2.591 1.00 0.00 C ATOM 1123 O ALA A 74 0.048 -1.515 2.427 1.00 0.00 O ATOM 1124 CB ALA A 74 3.303 -1.223 2.796 1.00 0.00 C ATOM 0 H ALA A 74 3.576 -3.239 4.181 1.00 0.00 H new ATOM 0 HA ALA A 74 1.739 -1.105 4.248 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.947 -0.367 2.222 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.065 -0.894 3.503 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.731 -1.962 2.118 1.00 0.00 H new ATOM 1130 N ARG A 75 1.187 -3.398 1.955 1.00 0.00 N ATOM 1131 CA ARG A 75 0.196 -3.889 1.006 1.00 0.00 C ATOM 1132 C ARG A 75 -1.106 -4.250 1.716 1.00 0.00 C ATOM 1133 O ARG A 75 -2.189 -4.149 1.139 1.00 0.00 O ATOM 1134 CB ARG A 75 0.737 -5.110 0.258 1.00 0.00 C ATOM 1135 CG ARG A 75 0.189 -5.252 -1.152 1.00 0.00 C ATOM 1136 CD ARG A 75 0.774 -6.466 -1.856 1.00 0.00 C ATOM 1137 NE ARG A 75 0.112 -6.729 -3.132 1.00 0.00 N ATOM 1138 CZ ARG A 75 -1.123 -7.208 -3.235 1.00 0.00 C ATOM 1139 NH1 ARG A 75 -1.827 -7.474 -2.144 1.00 0.00 N ATOM 1140 NH2 ARG A 75 -1.655 -7.421 -4.431 1.00 0.00 N ATOM 0 H ARG A 75 1.992 -4.011 2.080 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.010 -3.093 0.290 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.824 -5.045 0.211 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.496 -6.009 0.825 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.897 -5.340 -1.115 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.417 -4.353 -1.725 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.839 -6.309 -2.026 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.679 -7.340 -1.211 1.00 0.00 H new ATOM 0 HE ARG A 75 0.626 -6.534 -3.991 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.421 -7.311 -1.223 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.775 -7.842 -2.226 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.116 -7.217 -5.273 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -2.603 -7.789 -4.509 1.00 0.00 H new ATOM 1154 N HIS A 76 -0.991 -4.673 2.972 1.00 0.00 N ATOM 1155 CA HIS A 76 -2.159 -5.048 3.761 1.00 0.00 C ATOM 1156 C HIS A 76 -2.886 -3.811 4.279 1.00 0.00 C ATOM 1157 O HIS A 76 -4.106 -3.817 4.437 1.00 0.00 O ATOM 1158 CB HIS A 76 -1.743 -5.937 4.933 1.00 0.00 C ATOM 1159 CG HIS A 76 -2.895 -6.617 5.607 1.00 0.00 C ATOM 1160 ND1 HIS A 76 -3.390 -7.839 5.201 1.00 0.00 N ATOM 1161 CD2 HIS A 76 -3.649 -6.240 6.666 1.00 0.00 C ATOM 1162 CE1 HIS A 76 -4.401 -8.182 5.981 1.00 0.00 C ATOM 1163 NE2 HIS A 76 -4.578 -7.229 6.878 1.00 0.00 N ATOM 0 H HIS A 76 -0.102 -4.764 3.464 1.00 0.00 H new ATOM 0 HA HIS A 76 -2.840 -5.603 3.116 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -1.044 -6.693 4.575 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -1.209 -5.332 5.666 1.00 0.00 H new ATOM 0 HD1 HIS A 76 -3.032 -8.391 4.422 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -3.540 -5.330 7.238 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -4.983 -9.088 5.899 1.00 0.00 H new ATOM 1171 N GLU A 77 -2.127 -2.751 4.542 1.00 0.00 N ATOM 1172 CA GLU A 77 -2.700 -1.507 5.043 1.00 0.00 C ATOM 1173 C GLU A 77 -3.323 -0.698 3.909 1.00 0.00 C ATOM 1174 O GLU A 77 -4.434 -0.185 4.034 1.00 0.00 O ATOM 1175 CB GLU A 77 -1.629 -0.675 5.749 1.00 0.00 C ATOM 1176 CG GLU A 77 -1.063 -1.339 6.992 1.00 0.00 C ATOM 1177 CD GLU A 77 -1.987 -1.224 8.189 1.00 0.00 C ATOM 1178 OE1 GLU A 77 -3.165 -1.622 8.068 1.00 0.00 O ATOM 1179 OE2 GLU A 77 -1.533 -0.738 9.245 1.00 0.00 O ATOM 0 H GLU A 77 -1.115 -2.729 4.416 1.00 0.00 H new ATOM 0 HA GLU A 77 -3.483 -1.760 5.757 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -0.816 -0.477 5.051 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.054 0.290 6.025 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.875 -2.392 6.783 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.102 -0.886 7.235 1.00 0.00 H new ATOM 1186 N VAL A 78 -2.597 -0.589 2.800 1.00 0.00 N ATOM 1187 CA VAL A 78 -3.077 0.156 1.642 1.00 0.00 C ATOM 1188 C VAL A 78 -4.337 -0.478 1.064 1.00 0.00 C ATOM 1189 O VAL A 78 -5.226 0.217 0.572 1.00 0.00 O ATOM 1190 CB VAL A 78 -2.004 0.235 0.540 1.00 0.00 C ATOM 1191 CG1 VAL A 78 -1.840 -1.113 -0.144 1.00 0.00 C ATOM 1192 CG2 VAL A 78 -2.355 1.317 -0.468 1.00 0.00 C ATOM 0 H VAL A 78 -1.675 -1.007 2.680 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.306 1.164 1.988 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.052 0.497 1.002 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.078 -1.037 -0.919 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -1.537 -1.859 0.591 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.787 -1.410 -0.594 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -1.586 1.359 -1.239 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.317 1.089 -0.927 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.414 2.281 0.038 1.00 0.00 H new ATOM 1202 N LEU A 79 -4.408 -1.803 1.127 1.00 0.00 N ATOM 1203 CA LEU A 79 -5.560 -2.534 0.610 1.00 0.00 C ATOM 1204 C LEU A 79 -6.748 -2.421 1.560 1.00 0.00 C ATOM 1205 O LEU A 79 -7.881 -2.204 1.131 1.00 0.00 O ATOM 1206 CB LEU A 79 -5.201 -4.006 0.396 1.00 0.00 C ATOM 1207 CG LEU A 79 -4.598 -4.358 -0.964 1.00 0.00 C ATOM 1208 CD1 LEU A 79 -3.881 -5.698 -0.898 1.00 0.00 C ATOM 1209 CD2 LEU A 79 -5.677 -4.382 -2.037 1.00 0.00 C ATOM 0 H LEU A 79 -3.681 -2.394 1.531 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.840 -2.092 -0.346 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.496 -4.304 1.172 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.102 -4.603 0.537 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.870 -3.590 -1.227 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.458 -5.933 -1.875 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.081 -5.647 -0.159 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -4.589 -6.476 -0.613 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.229 -4.634 -2.998 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.429 -5.128 -1.780 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -6.147 -3.401 -2.102 1.00 0.00 H new ATOM 1221 N LEU A 80 -6.480 -2.566 2.853 1.00 0.00 N ATOM 1222 CA LEU A 80 -7.526 -2.478 3.866 1.00 0.00 C ATOM 1223 C LEU A 80 -8.223 -1.123 3.812 1.00 0.00 C ATOM 1224 O LEU A 80 -9.449 -1.040 3.889 1.00 0.00 O ATOM 1225 CB LEU A 80 -6.936 -2.706 5.258 1.00 0.00 C ATOM 1226 CG LEU A 80 -6.859 -4.160 5.725 1.00 0.00 C ATOM 1227 CD1 LEU A 80 -6.093 -4.261 7.035 1.00 0.00 C ATOM 1228 CD2 LEU A 80 -8.256 -4.746 5.876 1.00 0.00 C ATOM 0 H LEU A 80 -5.547 -2.745 3.225 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.263 -3.254 3.660 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.931 -2.285 5.278 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -7.531 -2.145 5.979 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.324 -4.736 4.970 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.049 -5.303 7.351 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.081 -3.881 6.895 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.599 -3.671 7.799 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -8.182 -5.781 6.209 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.816 -4.167 6.611 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -8.772 -4.709 4.916 1.00 0.00 H new ATOM 1240 N ILE A 81 -7.434 -0.061 3.679 1.00 0.00 N ATOM 1241 CA ILE A 81 -7.975 1.289 3.612 1.00 0.00 C ATOM 1242 C ILE A 81 -8.718 1.519 2.301 1.00 0.00 C ATOM 1243 O ILE A 81 -9.804 2.099 2.283 1.00 0.00 O ATOM 1244 CB ILE A 81 -6.865 2.349 3.752 1.00 0.00 C ATOM 1245 CG1 ILE A 81 -6.160 2.203 5.101 1.00 0.00 C ATOM 1246 CG2 ILE A 81 -7.446 3.747 3.599 1.00 0.00 C ATOM 1247 CD1 ILE A 81 -4.708 2.630 5.073 1.00 0.00 C ATOM 0 H ILE A 81 -6.417 -0.111 3.616 1.00 0.00 H new ATOM 0 HA ILE A 81 -8.671 1.391 4.445 1.00 0.00 H new ATOM 0 HB ILE A 81 -6.131 2.194 2.961 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -6.691 2.797 5.845 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -6.218 1.163 5.422 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -6.650 4.485 3.700 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -7.908 3.844 2.616 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -8.197 3.915 4.371 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -4.271 2.500 6.063 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -4.163 2.020 4.353 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -4.643 3.679 4.783 1.00 0.00 H new ATOM 1259 N SER A 82 -8.126 1.060 1.203 1.00 0.00 N ATOM 1260 CA SER A 82 -8.732 1.217 -0.115 1.00 0.00 C ATOM 1261 C SER A 82 -10.036 0.431 -0.210 1.00 0.00 C ATOM 1262 O SER A 82 -11.007 0.889 -0.812 1.00 0.00 O ATOM 1263 CB SER A 82 -7.762 0.751 -1.203 1.00 0.00 C ATOM 1264 OG SER A 82 -6.601 1.562 -1.233 1.00 0.00 O ATOM 0 H SER A 82 -7.228 0.577 1.199 1.00 0.00 H new ATOM 0 HA SER A 82 -8.954 2.274 -0.263 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.480 -0.286 -1.023 1.00 0.00 H new ATOM 0 HB3 SER A 82 -8.257 0.783 -2.174 1.00 0.00 H new ATOM 0 HG SER A 82 -5.923 1.184 -0.635 1.00 0.00 H new ATOM 1270 N ALA A 83 -10.050 -0.756 0.388 1.00 0.00 N ATOM 1271 CA ALA A 83 -11.236 -1.604 0.372 1.00 0.00 C ATOM 1272 C ALA A 83 -12.400 -0.935 1.095 1.00 0.00 C ATOM 1273 O ALA A 83 -13.484 -0.781 0.533 1.00 0.00 O ATOM 1274 CB ALA A 83 -10.926 -2.954 1.004 1.00 0.00 C ATOM 0 H ALA A 83 -9.255 -1.152 0.889 1.00 0.00 H new ATOM 0 HA ALA A 83 -11.529 -1.758 -0.667 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.820 -3.578 0.986 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -10.130 -3.444 0.443 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -10.606 -2.808 2.036 1.00 0.00 H new ATOM 1280 N GLU A 84 -12.168 -0.538 2.342 1.00 0.00 N ATOM 1281 CA GLU A 84 -13.199 0.113 3.140 1.00 0.00 C ATOM 1282 C GLU A 84 -13.972 1.131 2.305 1.00 0.00 C ATOM 1283 O GLU A 84 -15.202 1.147 2.312 1.00 0.00 O ATOM 1284 CB GLU A 84 -12.576 0.803 4.355 1.00 0.00 C ATOM 1285 CG GLU A 84 -12.487 -0.090 5.583 1.00 0.00 C ATOM 1286 CD GLU A 84 -13.849 -0.521 6.089 1.00 0.00 C ATOM 1287 OE1 GLU A 84 -14.579 0.336 6.631 1.00 0.00 O ATOM 1288 OE2 GLU A 84 -14.185 -1.715 5.946 1.00 0.00 O ATOM 0 H GLU A 84 -11.275 -0.656 2.821 1.00 0.00 H new ATOM 0 HA GLU A 84 -13.894 -0.653 3.483 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.576 1.148 4.093 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -13.164 1.687 4.601 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -11.896 -0.974 5.343 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.960 0.440 6.376 1.00 0.00 H new ATOM 1295 N GLN A 85 -13.239 1.977 1.589 1.00 0.00 N ATOM 1296 CA GLN A 85 -13.855 2.998 0.750 1.00 0.00 C ATOM 1297 C GLN A 85 -14.916 2.388 -0.160 1.00 0.00 C ATOM 1298 O GLN A 85 -16.061 2.840 -0.185 1.00 0.00 O ATOM 1299 CB GLN A 85 -12.792 3.708 -0.090 1.00 0.00 C ATOM 1300 CG GLN A 85 -11.689 4.347 0.737 1.00 0.00 C ATOM 1301 CD GLN A 85 -12.215 5.391 1.703 1.00 0.00 C ATOM 1302 OE1 GLN A 85 -13.199 6.076 1.419 1.00 0.00 O ATOM 1303 NE2 GLN A 85 -11.561 5.519 2.851 1.00 0.00 N ATOM 0 H GLN A 85 -12.219 1.976 1.573 1.00 0.00 H new ATOM 0 HA GLN A 85 -14.337 3.726 1.403 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -12.348 2.991 -0.780 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -13.273 4.477 -0.695 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -11.164 3.572 1.296 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.961 4.809 0.070 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.751 4.930 3.045 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.869 6.206 3.539 1.00 0.00 H new