USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 705 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 73 HIS : no HD1:sc= -0.0936 X(o=-0.094,f=-0.26) USER MOD Set 1.2: A 75 ASN : amide:sc= 0 X(o=-0.094,f=-0.26) USER MOD Set 1.3: A 79 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 68 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.11) USER MOD Set 2.2: A 92 TYR OH : rot 159:sc= 1.25 USER MOD Single : A 18 THR OG1 : rot 38:sc= 0.126 USER MOD Single : A 19 TYR OH : rot 78:sc= 1.16 USER MOD Single : A 22 SER OG : rot 180:sc= 0.0271 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 25:sc= 0.00434 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 61 THR OG1 : rot 180:sc=-0.00317 USER MOD Single : A 63 GLN : amide:sc=-0.00642 X(o=-0.0064,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.896 USER MOD Single : A 84 TYR OH : rot -38:sc= -3.07! USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -154:sc= -0.128 (180deg=-0.816) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.408 USER MOD Single : A 98 TYR OH : rot -39:sc= 1.08 USER MOD Single : A 106 SER OG : rot -47:sc= 0.769 USER MOD Single : A 108 TYR OH : rot 30:sc= -1.07 USER MOD Single : A 113 THR OG1 : rot 35:sc= 1.08 USER MOD ----------------------------------------------------------------- ATOM 244 N THR A 18 -2.960 -20.853 0.107 1.00 0.00 N ATOM 245 CA THR A 18 -1.604 -20.863 0.642 1.00 0.00 C ATOM 246 C THR A 18 -1.160 -19.460 1.041 1.00 0.00 C ATOM 247 O THR A 18 -0.223 -19.294 1.822 1.00 0.00 O ATOM 248 CB THR A 18 -0.602 -21.434 -0.379 1.00 0.00 C ATOM 249 OG1 THR A 18 -1.039 -22.723 -0.826 1.00 0.00 O ATOM 250 CG2 THR A 18 0.787 -21.548 0.231 1.00 0.00 C ATOM 0 HA THR A 18 -1.617 -21.502 1.525 1.00 0.00 H new ATOM 0 HB THR A 18 -0.554 -20.752 -1.228 1.00 0.00 H new ATOM 0 HG1 THR A 18 -2.014 -22.723 -0.922 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.477 -21.954 -0.509 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.129 -20.561 0.544 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.751 -22.211 1.096 1.00 0.00 H new ATOM 258 N TYR A 19 -1.840 -18.454 0.502 1.00 0.00 N ATOM 259 CA TYR A 19 -1.515 -17.065 0.802 1.00 0.00 C ATOM 260 C TYR A 19 -1.865 -16.722 2.247 1.00 0.00 C ATOM 261 O TYR A 19 -2.827 -17.250 2.806 1.00 0.00 O ATOM 262 CB TYR A 19 -2.258 -16.128 -0.151 1.00 0.00 C ATOM 263 CG TYR A 19 -3.671 -15.814 0.288 1.00 0.00 C ATOM 264 CD1 TYR A 19 -3.922 -14.837 1.243 1.00 0.00 C ATOM 265 CD2 TYR A 19 -4.755 -16.495 -0.253 1.00 0.00 C ATOM 266 CE1 TYR A 19 -5.211 -14.548 1.647 1.00 0.00 C ATOM 267 CE2 TYR A 19 -6.047 -16.211 0.144 1.00 0.00 C ATOM 268 CZ TYR A 19 -6.270 -15.238 1.095 1.00 0.00 C ATOM 269 OH TYR A 19 -7.556 -14.952 1.494 1.00 0.00 O ATOM 0 H TYR A 19 -2.619 -18.575 -0.145 1.00 0.00 H new ATOM 0 HA TYR A 19 -0.441 -16.933 0.667 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.699 -15.197 -0.241 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.286 -16.580 -1.143 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.095 -14.294 1.677 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.584 -17.259 -0.997 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -5.389 -13.786 2.391 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -6.878 -16.748 -0.288 1.00 0.00 H new ATOM 0 HH TYR A 19 -7.859 -14.129 1.056 1.00 0.00 H new ATOM 279 N ASP A 20 -1.079 -15.834 2.845 1.00 0.00 N ATOM 280 CA ASP A 20 -1.306 -15.419 4.224 1.00 0.00 C ATOM 281 C ASP A 20 -0.895 -13.964 4.428 1.00 0.00 C ATOM 282 O ASP A 20 0.287 -13.627 4.361 1.00 0.00 O ATOM 283 CB ASP A 20 -0.529 -16.320 5.185 1.00 0.00 C ATOM 284 CG ASP A 20 -1.335 -17.527 5.625 1.00 0.00 C ATOM 285 OD1 ASP A 20 -2.580 -17.443 5.620 1.00 0.00 O ATOM 286 OD2 ASP A 20 -0.719 -18.556 5.975 1.00 0.00 O ATOM 0 H ASP A 20 -0.279 -15.388 2.396 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.372 -15.510 4.434 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.389 -16.656 4.702 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.235 -15.743 6.062 1.00 0.00 H new ATOM 291 N ALA A 21 -1.879 -13.105 4.676 1.00 0.00 N ATOM 292 CA ALA A 21 -1.619 -11.687 4.890 1.00 0.00 C ATOM 293 C ALA A 21 -0.630 -11.476 6.031 1.00 0.00 C ATOM 294 O ALA A 21 0.344 -10.737 5.892 1.00 0.00 O ATOM 295 CB ALA A 21 -2.920 -10.950 5.173 1.00 0.00 C ATOM 0 H ALA A 21 -2.863 -13.367 4.734 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.175 -11.282 3.981 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.712 -9.892 5.331 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.595 -11.064 4.325 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.387 -11.365 6.066 1.00 0.00 H new ATOM 301 N SER A 22 -0.887 -12.130 7.159 1.00 0.00 N ATOM 302 CA SER A 22 -0.021 -12.010 8.326 1.00 0.00 C ATOM 303 C SER A 22 1.443 -12.187 7.937 1.00 0.00 C ATOM 304 O SER A 22 2.339 -11.624 8.567 1.00 0.00 O ATOM 305 CB SER A 22 -0.409 -13.045 9.384 1.00 0.00 C ATOM 306 OG SER A 22 -1.817 -13.148 9.506 1.00 0.00 O ATOM 0 H SER A 22 -1.688 -12.748 7.290 1.00 0.00 H new ATOM 0 HA SER A 22 -0.149 -11.011 8.742 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.008 -14.016 9.117 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.023 -12.766 10.345 1.00 0.00 H new ATOM 0 HG SER A 22 -2.038 -13.817 10.187 1.00 0.00 H new ATOM 312 N LYS A 23 1.680 -12.975 6.894 1.00 0.00 N ATOM 313 CA LYS A 23 3.034 -13.228 6.417 1.00 0.00 C ATOM 314 C LYS A 23 3.495 -12.121 5.474 1.00 0.00 C ATOM 315 O LYS A 23 4.348 -12.340 4.614 1.00 0.00 O ATOM 316 CB LYS A 23 3.102 -14.581 5.704 1.00 0.00 C ATOM 317 CG LYS A 23 3.157 -15.766 6.653 1.00 0.00 C ATOM 318 CD LYS A 23 4.543 -15.939 7.250 1.00 0.00 C ATOM 319 CE LYS A 23 4.683 -17.280 7.954 1.00 0.00 C ATOM 320 NZ LYS A 23 5.937 -17.358 8.753 1.00 0.00 N ATOM 0 H LYS A 23 0.951 -13.450 6.362 1.00 0.00 H new ATOM 0 HA LYS A 23 3.699 -13.246 7.281 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.232 -14.685 5.056 1.00 0.00 H new ATOM 0 HB3 LYS A 23 3.982 -14.600 5.061 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.430 -15.626 7.453 1.00 0.00 H new ATOM 0 HG3 LYS A 23 2.874 -16.674 6.120 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.292 -15.861 6.462 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.739 -15.133 7.957 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.825 -17.438 8.608 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.673 -18.081 7.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.996 -18.287 9.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.757 -17.232 8.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.936 -16.610 9.475 1.00 0.00 H new ATOM 334 N VAL A 24 2.925 -10.932 5.641 1.00 0.00 N ATOM 335 CA VAL A 24 3.279 -9.790 4.807 1.00 0.00 C ATOM 336 C VAL A 24 3.818 -8.640 5.649 1.00 0.00 C ATOM 337 O VAL A 24 3.201 -8.233 6.634 1.00 0.00 O ATOM 338 CB VAL A 24 2.069 -9.293 3.993 1.00 0.00 C ATOM 339 CG1 VAL A 24 2.397 -7.982 3.295 1.00 0.00 C ATOM 340 CG2 VAL A 24 1.634 -10.348 2.987 1.00 0.00 C ATOM 0 H VAL A 24 2.216 -10.735 6.347 1.00 0.00 H new ATOM 0 HA VAL A 24 4.055 -10.128 4.121 1.00 0.00 H new ATOM 0 HB VAL A 24 1.241 -9.114 4.679 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.531 -7.647 2.725 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.656 -7.229 4.039 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.240 -8.130 2.620 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.778 -9.980 2.421 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.457 -10.561 2.304 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.355 -11.260 3.514 1.00 0.00 H new ATOM 350 N THR A 25 4.976 -8.117 5.255 1.00 0.00 N ATOM 351 CA THR A 25 5.600 -7.014 5.974 1.00 0.00 C ATOM 352 C THR A 25 6.126 -5.957 5.010 1.00 0.00 C ATOM 353 O THR A 25 6.408 -6.249 3.848 1.00 0.00 O ATOM 354 CB THR A 25 6.759 -7.505 6.862 1.00 0.00 C ATOM 355 OG1 THR A 25 7.691 -8.257 6.077 1.00 0.00 O ATOM 356 CG2 THR A 25 6.239 -8.365 8.004 1.00 0.00 C ATOM 0 H THR A 25 5.500 -8.440 4.442 1.00 0.00 H new ATOM 0 HA THR A 25 4.829 -6.574 6.607 1.00 0.00 H new ATOM 0 HB THR A 25 7.260 -6.634 7.284 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.426 -8.565 6.648 1.00 0.00 H new ATOM 0 HG21 THR A 25 7.076 -8.700 8.617 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.552 -7.781 8.616 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.717 -9.231 7.598 1.00 0.00 H new ATOM 364 N ALA A 26 6.257 -4.728 5.499 1.00 0.00 N ATOM 365 CA ALA A 26 6.752 -3.628 4.681 1.00 0.00 C ATOM 366 C ALA A 26 7.725 -2.755 5.466 1.00 0.00 C ATOM 367 O ALA A 26 7.527 -2.503 6.654 1.00 0.00 O ATOM 368 CB ALA A 26 5.591 -2.794 4.160 1.00 0.00 C ATOM 0 H ALA A 26 6.027 -4.469 6.458 1.00 0.00 H new ATOM 0 HA ALA A 26 7.289 -4.051 3.832 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.975 -1.976 3.551 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.936 -3.420 3.555 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.029 -2.387 5.001 1.00 0.00 H new ATOM 374 N SER A 27 8.775 -2.296 4.794 1.00 0.00 N ATOM 375 CA SER A 27 9.781 -1.453 5.430 1.00 0.00 C ATOM 376 C SER A 27 10.285 -0.385 4.465 1.00 0.00 C ATOM 377 O SER A 27 10.296 -0.584 3.251 1.00 0.00 O ATOM 378 CB SER A 27 10.953 -2.305 5.922 1.00 0.00 C ATOM 379 OG SER A 27 10.715 -2.793 7.231 1.00 0.00 O ATOM 0 H SER A 27 8.952 -2.493 3.809 1.00 0.00 H new ATOM 0 HA SER A 27 9.317 -0.957 6.283 1.00 0.00 H new ATOM 0 HB2 SER A 27 11.109 -3.142 5.241 1.00 0.00 H new ATOM 0 HB3 SER A 27 11.867 -1.712 5.912 1.00 0.00 H new ATOM 0 HG SER A 27 9.750 -2.831 7.395 1.00 0.00 H new ATOM 385 N GLY A 28 10.701 0.752 5.015 1.00 0.00 N ATOM 386 CA GLY A 28 11.200 1.837 4.189 1.00 0.00 C ATOM 387 C GLY A 28 10.813 3.200 4.727 1.00 0.00 C ATOM 388 O GLY A 28 10.244 3.324 5.811 1.00 0.00 O ATOM 0 H GLY A 28 10.701 0.941 6.017 1.00 0.00 H new ATOM 0 HA2 GLY A 28 12.286 1.770 4.124 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.813 1.726 3.176 1.00 0.00 H new ATOM 392 N PRO A 29 11.128 4.254 3.960 1.00 0.00 N ATOM 393 CA PRO A 29 10.820 5.634 4.346 1.00 0.00 C ATOM 394 C PRO A 29 9.324 5.927 4.307 1.00 0.00 C ATOM 395 O PRO A 29 8.807 6.682 5.130 1.00 0.00 O ATOM 396 CB PRO A 29 11.556 6.469 3.295 1.00 0.00 C ATOM 397 CG PRO A 29 11.667 5.574 2.110 1.00 0.00 C ATOM 398 CD PRO A 29 11.807 4.180 2.655 1.00 0.00 C ATOM 0 HA PRO A 29 11.125 5.848 5.370 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.005 7.378 3.054 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.539 6.777 3.652 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.786 5.658 1.474 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.528 5.842 1.498 1.00 0.00 H new ATOM 0 HD2 PRO A 29 11.340 3.444 2.000 1.00 0.00 H new ATOM 0 HD3 PRO A 29 12.853 3.894 2.762 1.00 0.00 H new ATOM 406 N GLY A 30 8.632 5.324 3.344 1.00 0.00 N ATOM 407 CA GLY A 30 7.202 5.533 3.216 1.00 0.00 C ATOM 408 C GLY A 30 6.435 5.061 4.436 1.00 0.00 C ATOM 409 O GLY A 30 5.322 5.520 4.695 1.00 0.00 O ATOM 0 H GLY A 30 9.037 4.695 2.651 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.006 6.593 3.055 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.838 5.004 2.335 1.00 0.00 H new ATOM 413 N LEU A 31 7.030 4.140 5.186 1.00 0.00 N ATOM 414 CA LEU A 31 6.395 3.603 6.385 1.00 0.00 C ATOM 415 C LEU A 31 7.215 3.932 7.628 1.00 0.00 C ATOM 416 O LEU A 31 7.113 3.251 8.649 1.00 0.00 O ATOM 417 CB LEU A 31 6.223 2.088 6.259 1.00 0.00 C ATOM 418 CG LEU A 31 5.563 1.592 4.973 1.00 0.00 C ATOM 419 CD1 LEU A 31 5.914 0.134 4.720 1.00 0.00 C ATOM 420 CD2 LEU A 31 4.053 1.774 5.043 1.00 0.00 C ATOM 0 H LEU A 31 7.951 3.750 4.985 1.00 0.00 H new ATOM 0 HA LEU A 31 5.414 4.067 6.486 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.205 1.623 6.342 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.632 1.738 7.105 1.00 0.00 H new ATOM 0 HG LEU A 31 5.943 2.186 4.141 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.435 -0.201 3.800 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.995 0.031 4.624 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.564 -0.474 5.554 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.600 1.415 4.119 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.657 1.207 5.885 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.820 2.830 5.175 1.00 0.00 H new ATOM 432 N SER A 32 8.026 4.981 7.536 1.00 0.00 N ATOM 433 CA SER A 32 8.864 5.400 8.653 1.00 0.00 C ATOM 434 C SER A 32 8.011 5.889 9.819 1.00 0.00 C ATOM 435 O SER A 32 7.249 6.848 9.686 1.00 0.00 O ATOM 436 CB SER A 32 9.826 6.504 8.211 1.00 0.00 C ATOM 437 OG SER A 32 10.570 7.003 9.309 1.00 0.00 O ATOM 0 H SER A 32 8.120 5.556 6.699 1.00 0.00 H new ATOM 0 HA SER A 32 9.441 4.537 8.985 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.507 6.116 7.453 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.265 7.316 7.749 1.00 0.00 H new ATOM 0 HG SER A 32 11.178 7.706 8.999 1.00 0.00 H new ATOM 443 N SER A 33 8.143 5.224 10.962 1.00 0.00 N ATOM 444 CA SER A 33 7.382 5.588 12.152 1.00 0.00 C ATOM 445 C SER A 33 7.756 6.988 12.628 1.00 0.00 C ATOM 446 O SER A 33 6.923 7.714 13.172 1.00 0.00 O ATOM 447 CB SER A 33 7.628 4.574 13.270 1.00 0.00 C ATOM 448 OG SER A 33 9.014 4.408 13.513 1.00 0.00 O ATOM 0 H SER A 33 8.770 4.430 11.090 1.00 0.00 H new ATOM 0 HA SER A 33 6.323 5.582 11.893 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.133 4.907 14.182 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.186 3.615 12.999 1.00 0.00 H new ATOM 0 HG SER A 33 9.144 3.756 14.233 1.00 0.00 H new ATOM 454 N TYR A 34 9.014 7.361 12.420 1.00 0.00 N ATOM 455 CA TYR A 34 9.501 8.673 12.831 1.00 0.00 C ATOM 456 C TYR A 34 8.752 9.784 12.100 1.00 0.00 C ATOM 457 O TYR A 34 8.620 10.897 12.608 1.00 0.00 O ATOM 458 CB TYR A 34 11.002 8.791 12.561 1.00 0.00 C ATOM 459 CG TYR A 34 11.716 9.724 13.511 1.00 0.00 C ATOM 460 CD1 TYR A 34 12.103 9.298 14.776 1.00 0.00 C ATOM 461 CD2 TYR A 34 12.006 11.033 13.144 1.00 0.00 C ATOM 462 CE1 TYR A 34 12.755 10.148 15.648 1.00 0.00 C ATOM 463 CE2 TYR A 34 12.659 11.890 14.009 1.00 0.00 C ATOM 464 CZ TYR A 34 13.031 11.443 15.260 1.00 0.00 C ATOM 465 OH TYR A 34 13.682 12.292 16.125 1.00 0.00 O ATOM 0 H TYR A 34 9.715 6.773 11.969 1.00 0.00 H new ATOM 0 HA TYR A 34 9.322 8.781 13.901 1.00 0.00 H new ATOM 0 HB2 TYR A 34 11.454 7.801 12.629 1.00 0.00 H new ATOM 0 HB3 TYR A 34 11.153 9.141 11.540 1.00 0.00 H new ATOM 0 HD1 TYR A 34 11.890 8.285 15.083 1.00 0.00 H new ATOM 0 HD2 TYR A 34 11.716 11.386 12.166 1.00 0.00 H new ATOM 0 HE1 TYR A 34 13.047 9.801 16.628 1.00 0.00 H new ATOM 0 HE2 TYR A 34 12.877 12.904 13.708 1.00 0.00 H new ATOM 0 HH TYR A 34 13.800 13.166 15.698 1.00 0.00 H new ATOM 475 N GLY A 35 8.264 9.472 10.903 1.00 0.00 N ATOM 476 CA GLY A 35 7.535 10.453 10.121 1.00 0.00 C ATOM 477 C GLY A 35 8.022 10.531 8.688 1.00 0.00 C ATOM 478 O GLY A 35 9.147 10.135 8.385 1.00 0.00 O ATOM 0 H GLY A 35 8.361 8.558 10.461 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.474 10.203 10.128 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.634 11.432 10.589 1.00 0.00 H new ATOM 482 N VAL A 36 7.171 11.040 7.802 1.00 0.00 N ATOM 483 CA VAL A 36 7.521 11.167 6.392 1.00 0.00 C ATOM 484 C VAL A 36 7.468 12.623 5.942 1.00 0.00 C ATOM 485 O VAL A 36 6.669 13.421 6.432 1.00 0.00 O ATOM 486 CB VAL A 36 6.580 10.332 5.504 1.00 0.00 C ATOM 487 CG1 VAL A 36 6.750 8.848 5.792 1.00 0.00 C ATOM 488 CG2 VAL A 36 5.135 10.761 5.707 1.00 0.00 C ATOM 0 H VAL A 36 6.235 11.371 8.036 1.00 0.00 H new ATOM 0 HA VAL A 36 8.539 10.793 6.283 1.00 0.00 H new ATOM 0 HB VAL A 36 6.844 10.507 4.461 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.077 8.274 5.155 1.00 0.00 H new ATOM 0 HG12 VAL A 36 7.780 8.554 5.590 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.515 8.651 6.838 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.484 10.160 5.072 1.00 0.00 H new ATOM 0 HG22 VAL A 36 4.856 10.617 6.751 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.028 11.813 5.444 1.00 0.00 H new ATOM 498 N PRO A 37 8.339 12.978 4.986 1.00 0.00 N ATOM 499 CA PRO A 37 8.411 14.340 4.447 1.00 0.00 C ATOM 500 C PRO A 37 7.190 14.695 3.605 1.00 0.00 C ATOM 501 O PRO A 37 6.912 14.049 2.595 1.00 0.00 O ATOM 502 CB PRO A 37 9.671 14.311 3.578 1.00 0.00 C ATOM 503 CG PRO A 37 9.833 12.881 3.193 1.00 0.00 C ATOM 504 CD PRO A 37 9.320 12.078 4.357 1.00 0.00 C ATOM 0 HA PRO A 37 8.439 15.091 5.237 1.00 0.00 H new ATOM 0 HB2 PRO A 37 9.561 14.947 2.700 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.539 14.674 4.128 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.272 12.655 2.286 1.00 0.00 H new ATOM 0 HG3 PRO A 37 10.878 12.648 2.988 1.00 0.00 H new ATOM 0 HD2 PRO A 37 8.859 11.146 4.030 1.00 0.00 H new ATOM 0 HD3 PRO A 37 10.121 11.812 5.046 1.00 0.00 H new ATOM 512 N ALA A 38 6.466 15.726 4.026 1.00 0.00 N ATOM 513 CA ALA A 38 5.277 16.168 3.308 1.00 0.00 C ATOM 514 C ALA A 38 5.612 16.542 1.869 1.00 0.00 C ATOM 515 O ALA A 38 6.779 16.717 1.518 1.00 0.00 O ATOM 516 CB ALA A 38 4.635 17.347 4.026 1.00 0.00 C ATOM 0 H ALA A 38 6.682 16.271 4.861 1.00 0.00 H new ATOM 0 HA ALA A 38 4.568 15.340 3.285 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.748 17.667 3.479 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.351 17.048 5.035 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.346 18.172 4.079 1.00 0.00 H new ATOM 522 N SER A 39 4.581 16.662 1.038 1.00 0.00 N ATOM 523 CA SER A 39 4.767 17.011 -0.366 1.00 0.00 C ATOM 524 C SER A 39 6.022 16.350 -0.928 1.00 0.00 C ATOM 525 O SER A 39 6.757 16.952 -1.712 1.00 0.00 O ATOM 526 CB SER A 39 4.860 18.529 -0.528 1.00 0.00 C ATOM 527 OG SER A 39 3.608 19.146 -0.284 1.00 0.00 O ATOM 0 H SER A 39 3.609 16.523 1.313 1.00 0.00 H new ATOM 0 HA SER A 39 3.904 16.646 -0.923 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.605 18.926 0.161 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.197 18.770 -1.536 1.00 0.00 H new ATOM 0 HG SER A 39 3.695 20.116 -0.392 1.00 0.00 H new ATOM 533 N LEU A 40 6.262 15.108 -0.521 1.00 0.00 N ATOM 534 CA LEU A 40 7.428 14.364 -0.984 1.00 0.00 C ATOM 535 C LEU A 40 7.036 12.958 -1.427 1.00 0.00 C ATOM 536 O LEU A 40 6.522 12.155 -0.647 1.00 0.00 O ATOM 537 CB LEU A 40 8.480 14.287 0.124 1.00 0.00 C ATOM 538 CG LEU A 40 9.900 13.936 -0.322 1.00 0.00 C ATOM 539 CD1 LEU A 40 9.915 12.604 -1.057 1.00 0.00 C ATOM 540 CD2 LEU A 40 10.471 15.039 -1.202 1.00 0.00 C ATOM 0 H LEU A 40 5.665 14.596 0.128 1.00 0.00 H new ATOM 0 HA LEU A 40 7.848 14.891 -1.841 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.509 15.248 0.637 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.156 13.545 0.854 1.00 0.00 H new ATOM 0 HG LEU A 40 10.527 13.845 0.565 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.934 12.371 -1.367 1.00 0.00 H new ATOM 0 HD12 LEU A 40 9.548 11.819 -0.395 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.274 12.666 -1.936 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.482 14.772 -1.510 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.843 15.162 -2.085 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.497 15.974 -0.642 1.00 0.00 H new ATOM 552 N PRO A 41 7.285 12.650 -2.708 1.00 0.00 N ATOM 553 CA PRO A 41 6.968 11.340 -3.284 1.00 0.00 C ATOM 554 C PRO A 41 7.869 10.236 -2.741 1.00 0.00 C ATOM 555 O PRO A 41 8.982 10.033 -3.229 1.00 0.00 O ATOM 556 CB PRO A 41 7.211 11.542 -4.781 1.00 0.00 C ATOM 557 CG PRO A 41 8.198 12.655 -4.858 1.00 0.00 C ATOM 558 CD PRO A 41 7.895 13.558 -3.694 1.00 0.00 C ATOM 0 HA PRO A 41 5.953 11.023 -3.043 1.00 0.00 H new ATOM 0 HB2 PRO A 41 7.600 10.635 -5.245 1.00 0.00 H new ATOM 0 HB3 PRO A 41 6.287 11.795 -5.301 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.219 12.276 -4.803 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.108 13.192 -5.802 1.00 0.00 H new ATOM 0 HD2 PRO A 41 8.798 14.027 -3.304 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.214 14.362 -3.975 1.00 0.00 H new ATOM 566 N VAL A 42 7.382 9.523 -1.730 1.00 0.00 N ATOM 567 CA VAL A 42 8.143 8.438 -1.123 1.00 0.00 C ATOM 568 C VAL A 42 7.529 7.083 -1.455 1.00 0.00 C ATOM 569 O VAL A 42 6.326 6.977 -1.697 1.00 0.00 O ATOM 570 CB VAL A 42 8.219 8.594 0.407 1.00 0.00 C ATOM 571 CG1 VAL A 42 6.837 8.860 0.986 1.00 0.00 C ATOM 572 CG2 VAL A 42 8.840 7.357 1.038 1.00 0.00 C ATOM 0 H VAL A 42 6.464 9.678 -1.314 1.00 0.00 H new ATOM 0 HA VAL A 42 9.150 8.488 -1.536 1.00 0.00 H new ATOM 0 HB VAL A 42 8.854 9.450 0.636 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.910 8.967 2.068 1.00 0.00 H new ATOM 0 HG12 VAL A 42 6.433 9.777 0.557 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.176 8.026 0.748 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.886 7.484 2.120 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.232 6.484 0.801 1.00 0.00 H new ATOM 0 HG23 VAL A 42 9.847 7.215 0.646 1.00 0.00 H new ATOM 582 N ASP A 43 8.362 6.048 -1.466 1.00 0.00 N ATOM 583 CA ASP A 43 7.901 4.698 -1.767 1.00 0.00 C ATOM 584 C ASP A 43 8.617 3.672 -0.894 1.00 0.00 C ATOM 585 O ASP A 43 9.798 3.823 -0.581 1.00 0.00 O ATOM 586 CB ASP A 43 8.130 4.376 -3.245 1.00 0.00 C ATOM 587 CG ASP A 43 9.595 4.438 -3.631 1.00 0.00 C ATOM 588 OD1 ASP A 43 10.066 5.535 -3.998 1.00 0.00 O ATOM 589 OD2 ASP A 43 10.270 3.390 -3.565 1.00 0.00 O ATOM 0 H ASP A 43 9.360 6.118 -1.270 1.00 0.00 H new ATOM 0 HA ASP A 43 6.833 4.649 -1.553 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.742 3.381 -3.461 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.566 5.078 -3.859 1.00 0.00 H new ATOM 594 N PHE A 44 7.893 2.629 -0.502 1.00 0.00 N ATOM 595 CA PHE A 44 8.458 1.579 0.338 1.00 0.00 C ATOM 596 C PHE A 44 8.575 0.268 -0.435 1.00 0.00 C ATOM 597 O PHE A 44 8.244 0.202 -1.619 1.00 0.00 O ATOM 598 CB PHE A 44 7.595 1.373 1.584 1.00 0.00 C ATOM 599 CG PHE A 44 6.120 1.382 1.300 1.00 0.00 C ATOM 600 CD1 PHE A 44 5.437 2.579 1.151 1.00 0.00 C ATOM 601 CD2 PHE A 44 5.416 0.194 1.184 1.00 0.00 C ATOM 602 CE1 PHE A 44 4.080 2.591 0.889 1.00 0.00 C ATOM 603 CE2 PHE A 44 4.059 0.200 0.922 1.00 0.00 C ATOM 604 CZ PHE A 44 3.390 1.400 0.775 1.00 0.00 C ATOM 0 H PHE A 44 6.914 2.488 -0.752 1.00 0.00 H new ATOM 0 HA PHE A 44 9.457 1.891 0.644 1.00 0.00 H new ATOM 0 HB2 PHE A 44 7.862 0.423 2.048 1.00 0.00 H new ATOM 0 HB3 PHE A 44 7.822 2.156 2.307 1.00 0.00 H new ATOM 0 HD1 PHE A 44 5.971 3.513 1.241 1.00 0.00 H new ATOM 0 HD2 PHE A 44 5.933 -0.747 1.300 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.560 3.530 0.774 1.00 0.00 H new ATOM 0 HE2 PHE A 44 3.522 -0.733 0.832 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.329 1.407 0.571 1.00 0.00 H new ATOM 614 N ALA A 45 9.047 -0.772 0.243 1.00 0.00 N ATOM 615 CA ALA A 45 9.207 -2.081 -0.378 1.00 0.00 C ATOM 616 C ALA A 45 8.481 -3.159 0.419 1.00 0.00 C ATOM 617 O ALA A 45 8.619 -3.239 1.640 1.00 0.00 O ATOM 618 CB ALA A 45 10.683 -2.425 -0.514 1.00 0.00 C ATOM 0 H ALA A 45 9.326 -0.734 1.223 1.00 0.00 H new ATOM 0 HA ALA A 45 8.763 -2.040 -1.372 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.787 -3.405 -0.979 1.00 0.00 H new ATOM 0 HB2 ALA A 45 11.176 -1.675 -1.133 1.00 0.00 H new ATOM 0 HB3 ALA A 45 11.145 -2.441 0.473 1.00 0.00 H new ATOM 624 N ILE A 46 7.709 -3.985 -0.278 1.00 0.00 N ATOM 625 CA ILE A 46 6.963 -5.059 0.366 1.00 0.00 C ATOM 626 C ILE A 46 7.559 -6.422 0.030 1.00 0.00 C ATOM 627 O ILE A 46 7.492 -6.876 -1.112 1.00 0.00 O ATOM 628 CB ILE A 46 5.480 -5.043 -0.051 1.00 0.00 C ATOM 629 CG1 ILE A 46 4.876 -3.658 0.187 1.00 0.00 C ATOM 630 CG2 ILE A 46 4.703 -6.104 0.714 1.00 0.00 C ATOM 631 CD1 ILE A 46 3.727 -3.332 -0.742 1.00 0.00 C ATOM 0 H ILE A 46 7.584 -3.931 -1.289 1.00 0.00 H new ATOM 0 HA ILE A 46 7.032 -4.890 1.441 1.00 0.00 H new ATOM 0 HB ILE A 46 5.415 -5.269 -1.115 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.528 -3.594 1.218 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.655 -2.905 0.066 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.657 -6.080 0.408 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.122 -7.087 0.499 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.773 -5.906 1.784 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.348 -2.335 -0.516 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.074 -3.363 -1.775 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.930 -4.063 -0.605 1.00 0.00 H new ATOM 643 N ASP A 47 8.141 -7.070 1.033 1.00 0.00 N ATOM 644 CA ASP A 47 8.747 -8.383 0.846 1.00 0.00 C ATOM 645 C ASP A 47 7.915 -9.468 1.523 1.00 0.00 C ATOM 646 O ASP A 47 7.697 -9.431 2.734 1.00 0.00 O ATOM 647 CB ASP A 47 10.172 -8.395 1.401 1.00 0.00 C ATOM 648 CG ASP A 47 10.943 -9.633 0.989 1.00 0.00 C ATOM 649 OD1 ASP A 47 10.357 -10.735 1.018 1.00 0.00 O ATOM 650 OD2 ASP A 47 12.134 -9.500 0.637 1.00 0.00 O ATOM 0 H ASP A 47 8.206 -6.707 1.984 1.00 0.00 H new ATOM 0 HA ASP A 47 8.780 -8.591 -0.224 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.702 -7.508 1.053 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.136 -8.338 2.489 1.00 0.00 H new ATOM 655 N ALA A 48 7.451 -10.431 0.733 1.00 0.00 N ATOM 656 CA ALA A 48 6.644 -11.526 1.256 1.00 0.00 C ATOM 657 C ALA A 48 7.440 -12.826 1.294 1.00 0.00 C ATOM 658 O ALA A 48 7.997 -13.253 0.283 1.00 0.00 O ATOM 659 CB ALA A 48 5.385 -11.700 0.420 1.00 0.00 C ATOM 0 H ALA A 48 7.620 -10.475 -0.272 1.00 0.00 H new ATOM 0 HA ALA A 48 6.357 -11.277 2.278 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.792 -12.521 0.822 1.00 0.00 H new ATOM 0 HB2 ALA A 48 4.799 -10.781 0.449 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.661 -11.922 -0.611 1.00 0.00 H new ATOM 665 N ARG A 49 7.491 -13.449 2.466 1.00 0.00 N ATOM 666 CA ARG A 49 8.221 -14.700 2.636 1.00 0.00 C ATOM 667 C ARG A 49 7.290 -15.898 2.484 1.00 0.00 C ATOM 668 O ARG A 49 7.522 -16.777 1.652 1.00 0.00 O ATOM 669 CB ARG A 49 8.899 -14.738 4.007 1.00 0.00 C ATOM 670 CG ARG A 49 9.735 -13.504 4.308 1.00 0.00 C ATOM 671 CD ARG A 49 10.690 -13.188 3.168 1.00 0.00 C ATOM 672 NE ARG A 49 11.399 -14.376 2.701 1.00 0.00 N ATOM 673 CZ ARG A 49 12.572 -14.336 2.080 1.00 0.00 C ATOM 674 NH1 ARG A 49 13.166 -13.172 1.852 1.00 0.00 N ATOM 675 NH2 ARG A 49 13.155 -15.461 1.685 1.00 0.00 N ATOM 0 H ARG A 49 7.035 -13.108 3.313 1.00 0.00 H new ATOM 0 HA ARG A 49 8.984 -14.754 1.859 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.136 -14.846 4.777 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.536 -15.621 4.063 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.078 -12.651 4.481 1.00 0.00 H new ATOM 0 HG3 ARG A 49 10.301 -13.662 5.226 1.00 0.00 H new ATOM 0 HD2 ARG A 49 10.133 -12.750 2.340 1.00 0.00 H new ATOM 0 HD3 ARG A 49 11.412 -12.441 3.497 1.00 0.00 H new ATOM 0 HE ARG A 49 10.969 -15.287 2.861 1.00 0.00 H new ATOM 0 HH11 ARG A 49 12.722 -12.305 2.154 1.00 0.00 H new ATOM 0 HH12 ARG A 49 14.067 -13.144 1.375 1.00 0.00 H new ATOM 0 HH21 ARG A 49 12.702 -16.358 1.858 1.00 0.00 H new ATOM 0 HH22 ARG A 49 14.056 -15.428 1.208 1.00 0.00 H new ATOM 689 N ASP A 50 6.235 -15.928 3.291 1.00 0.00 N ATOM 690 CA ASP A 50 5.268 -17.018 3.246 1.00 0.00 C ATOM 691 C ASP A 50 3.866 -16.489 2.961 1.00 0.00 C ATOM 692 O ASP A 50 2.870 -17.110 3.332 1.00 0.00 O ATOM 693 CB ASP A 50 5.277 -17.791 4.566 1.00 0.00 C ATOM 694 CG ASP A 50 4.921 -19.253 4.383 1.00 0.00 C ATOM 695 OD1 ASP A 50 4.204 -19.573 3.412 1.00 0.00 O ATOM 696 OD2 ASP A 50 5.361 -20.078 5.211 1.00 0.00 O ATOM 0 H ASP A 50 6.028 -15.209 3.985 1.00 0.00 H new ATOM 0 HA ASP A 50 5.554 -17.691 2.438 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.264 -17.715 5.022 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.571 -17.332 5.257 1.00 0.00 H new ATOM 701 N ALA A 51 3.796 -15.338 2.301 1.00 0.00 N ATOM 702 CA ALA A 51 2.516 -14.726 1.966 1.00 0.00 C ATOM 703 C ALA A 51 1.925 -15.345 0.704 1.00 0.00 C ATOM 704 O ALA A 51 1.022 -14.781 0.089 1.00 0.00 O ATOM 705 CB ALA A 51 2.680 -13.223 1.792 1.00 0.00 C ATOM 0 H ALA A 51 4.611 -14.810 1.988 1.00 0.00 H new ATOM 0 HA ALA A 51 1.825 -14.913 2.788 1.00 0.00 H new ATOM 0 HB1 ALA A 51 1.717 -12.778 1.542 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.051 -12.788 2.720 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.390 -13.025 0.989 1.00 0.00 H new ATOM 711 N GLY A 52 2.443 -16.509 0.323 1.00 0.00 N ATOM 712 CA GLY A 52 1.955 -17.185 -0.864 1.00 0.00 C ATOM 713 C GLY A 52 1.678 -16.226 -2.005 1.00 0.00 C ATOM 714 O GLY A 52 2.319 -15.182 -2.115 1.00 0.00 O ATOM 0 H GLY A 52 3.192 -16.995 0.816 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.689 -17.924 -1.185 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.042 -17.728 -0.620 1.00 0.00 H new ATOM 718 N GLU A 53 0.720 -16.582 -2.856 1.00 0.00 N ATOM 719 CA GLU A 53 0.363 -15.745 -3.995 1.00 0.00 C ATOM 720 C GLU A 53 -0.951 -15.012 -3.740 1.00 0.00 C ATOM 721 O GLU A 53 -1.996 -15.634 -3.552 1.00 0.00 O ATOM 722 CB GLU A 53 0.249 -16.593 -5.263 1.00 0.00 C ATOM 723 CG GLU A 53 0.615 -15.842 -6.533 1.00 0.00 C ATOM 724 CD GLU A 53 -0.090 -16.389 -7.758 1.00 0.00 C ATOM 725 OE1 GLU A 53 -1.269 -16.785 -7.637 1.00 0.00 O ATOM 726 OE2 GLU A 53 0.535 -16.422 -8.839 1.00 0.00 O ATOM 0 H GLU A 53 0.178 -17.443 -2.778 1.00 0.00 H new ATOM 0 HA GLU A 53 1.152 -15.005 -4.131 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.897 -17.464 -5.167 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.772 -16.963 -5.352 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.362 -14.789 -6.413 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.693 -15.896 -6.685 1.00 0.00 H new ATOM 733 N GLY A 54 -0.890 -13.684 -3.736 1.00 0.00 N ATOM 734 CA GLY A 54 -2.081 -12.887 -3.503 1.00 0.00 C ATOM 735 C GLY A 54 -1.979 -11.501 -4.109 1.00 0.00 C ATOM 736 O GLY A 54 -0.891 -11.053 -4.473 1.00 0.00 O ATOM 0 H GLY A 54 -0.037 -13.146 -3.890 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.946 -13.401 -3.922 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.252 -12.799 -2.430 1.00 0.00 H new ATOM 740 N LEU A 55 -3.114 -10.820 -4.219 1.00 0.00 N ATOM 741 CA LEU A 55 -3.149 -9.477 -4.786 1.00 0.00 C ATOM 742 C LEU A 55 -2.963 -8.422 -3.700 1.00 0.00 C ATOM 743 O LEU A 55 -3.727 -8.368 -2.735 1.00 0.00 O ATOM 744 CB LEU A 55 -4.472 -9.245 -5.518 1.00 0.00 C ATOM 745 CG LEU A 55 -4.452 -8.188 -6.623 1.00 0.00 C ATOM 746 CD1 LEU A 55 -5.549 -8.459 -7.640 1.00 0.00 C ATOM 747 CD2 LEU A 55 -4.603 -6.795 -6.030 1.00 0.00 C ATOM 0 H LEU A 55 -4.023 -11.176 -3.923 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.328 -9.388 -5.497 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.794 -10.191 -5.954 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.225 -8.960 -4.784 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.491 -8.241 -7.134 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.520 -7.697 -8.419 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.396 -9.441 -8.087 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.519 -8.434 -7.144 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.587 -6.055 -6.830 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.550 -6.729 -5.494 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.781 -6.602 -5.341 1.00 0.00 H new ATOM 759 N LEU A 56 -1.946 -7.584 -3.865 1.00 0.00 N ATOM 760 CA LEU A 56 -1.661 -6.528 -2.899 1.00 0.00 C ATOM 761 C LEU A 56 -2.551 -5.313 -3.143 1.00 0.00 C ATOM 762 O LEU A 56 -2.714 -4.869 -4.278 1.00 0.00 O ATOM 763 CB LEU A 56 -0.189 -6.120 -2.979 1.00 0.00 C ATOM 764 CG LEU A 56 0.238 -4.964 -2.074 1.00 0.00 C ATOM 765 CD1 LEU A 56 0.622 -5.479 -0.696 1.00 0.00 C ATOM 766 CD2 LEU A 56 1.393 -4.195 -2.700 1.00 0.00 C ATOM 0 H LEU A 56 -1.305 -7.615 -4.658 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.871 -6.915 -1.902 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.422 -6.990 -2.736 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.037 -5.850 -4.011 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.606 -4.284 -1.962 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.923 -4.642 -0.066 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.232 -5.984 -0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.451 -6.181 -0.788 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.684 -3.376 -2.042 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.241 -4.865 -2.842 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.082 -3.793 -3.664 1.00 0.00 H new ATOM 778 N ALA A 57 -3.122 -4.780 -2.068 1.00 0.00 N ATOM 779 CA ALA A 57 -3.991 -3.614 -2.164 1.00 0.00 C ATOM 780 C ALA A 57 -3.557 -2.524 -1.190 1.00 0.00 C ATOM 781 O ALA A 57 -3.438 -2.763 0.012 1.00 0.00 O ATOM 782 CB ALA A 57 -5.437 -4.011 -1.905 1.00 0.00 C ATOM 0 H ALA A 57 -2.998 -5.137 -1.121 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.911 -3.214 -3.175 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.075 -3.130 -1.980 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.749 -4.749 -2.643 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.524 -4.438 -0.906 1.00 0.00 H new ATOM 788 N VAL A 58 -3.322 -1.326 -1.716 1.00 0.00 N ATOM 789 CA VAL A 58 -2.902 -0.198 -0.892 1.00 0.00 C ATOM 790 C VAL A 58 -4.019 0.829 -0.756 1.00 0.00 C ATOM 791 O VAL A 58 -4.614 1.249 -1.748 1.00 0.00 O ATOM 792 CB VAL A 58 -1.655 0.490 -1.478 1.00 0.00 C ATOM 793 CG1 VAL A 58 -1.256 1.687 -0.628 1.00 0.00 C ATOM 794 CG2 VAL A 58 -0.505 -0.499 -1.594 1.00 0.00 C ATOM 0 H VAL A 58 -3.415 -1.111 -2.709 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.659 -0.598 0.093 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.897 0.849 -2.478 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.373 2.160 -1.058 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.076 2.405 -0.602 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.033 1.355 0.386 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.368 0.005 -2.010 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.261 -0.891 -0.607 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -0.796 -1.320 -2.249 1.00 0.00 H new ATOM 804 N GLN A 59 -4.299 1.230 0.480 1.00 0.00 N ATOM 805 CA GLN A 59 -5.347 2.209 0.746 1.00 0.00 C ATOM 806 C GLN A 59 -4.820 3.346 1.615 1.00 0.00 C ATOM 807 O GLN A 59 -4.524 3.153 2.795 1.00 0.00 O ATOM 808 CB GLN A 59 -6.539 1.539 1.430 1.00 0.00 C ATOM 809 CG GLN A 59 -7.259 0.532 0.547 1.00 0.00 C ATOM 810 CD GLN A 59 -8.083 -0.460 1.345 1.00 0.00 C ATOM 811 OE1 GLN A 59 -8.518 -0.169 2.460 1.00 0.00 O ATOM 812 NE2 GLN A 59 -8.302 -1.640 0.778 1.00 0.00 N ATOM 0 H GLN A 59 -3.815 0.893 1.312 1.00 0.00 H new ATOM 0 HA GLN A 59 -5.672 2.625 -0.208 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -6.194 1.036 2.333 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -7.247 2.307 1.743 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -7.910 1.063 -0.148 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -6.527 -0.009 -0.052 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -7.923 -1.839 -0.148 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -8.850 -2.347 1.268 1.00 0.00 H new ATOM 821 N ILE A 60 -4.706 4.532 1.025 1.00 0.00 N ATOM 822 CA ILE A 60 -4.216 5.699 1.747 1.00 0.00 C ATOM 823 C ILE A 60 -5.332 6.713 1.974 1.00 0.00 C ATOM 824 O ILE A 60 -6.114 7.008 1.069 1.00 0.00 O ATOM 825 CB ILE A 60 -3.062 6.384 0.992 1.00 0.00 C ATOM 826 CG1 ILE A 60 -1.901 5.407 0.795 1.00 0.00 C ATOM 827 CG2 ILE A 60 -2.597 7.622 1.744 1.00 0.00 C ATOM 828 CD1 ILE A 60 -1.031 5.734 -0.399 1.00 0.00 C ATOM 0 H ILE A 60 -4.946 4.709 0.050 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.849 5.344 2.710 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.423 6.693 0.011 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.284 5.403 1.694 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.301 4.400 0.678 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.781 8.095 1.197 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.426 8.324 1.837 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.251 7.336 2.737 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.229 5.000 -0.477 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.634 5.710 -1.306 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.602 6.728 -0.275 1.00 0.00 H new ATOM 840 N THR A 61 -5.401 7.247 3.190 1.00 0.00 N ATOM 841 CA THR A 61 -6.421 8.229 3.537 1.00 0.00 C ATOM 842 C THR A 61 -5.828 9.373 4.352 1.00 0.00 C ATOM 843 O THR A 61 -4.725 9.260 4.887 1.00 0.00 O ATOM 844 CB THR A 61 -7.570 7.586 4.337 1.00 0.00 C ATOM 845 OG1 THR A 61 -7.041 6.695 5.325 1.00 0.00 O ATOM 846 CG2 THR A 61 -8.512 6.827 3.414 1.00 0.00 C ATOM 0 H THR A 61 -4.762 7.016 3.951 1.00 0.00 H new ATOM 0 HA THR A 61 -6.815 8.621 2.599 1.00 0.00 H new ATOM 0 HB THR A 61 -8.130 8.381 4.829 1.00 0.00 H new ATOM 0 HG1 THR A 61 -7.778 6.292 5.830 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.315 6.381 4.001 1.00 0.00 H new ATOM 0 HG22 THR A 61 -8.936 7.514 2.681 1.00 0.00 H new ATOM 0 HG23 THR A 61 -7.961 6.041 2.898 1.00 0.00 H new ATOM 854 N ASP A 62 -6.566 10.473 4.443 1.00 0.00 N ATOM 855 CA ASP A 62 -6.114 11.638 5.195 1.00 0.00 C ATOM 856 C ASP A 62 -6.891 11.778 6.500 1.00 0.00 C ATOM 857 O ASP A 62 -7.725 10.934 6.830 1.00 0.00 O ATOM 858 CB ASP A 62 -6.271 12.906 4.354 1.00 0.00 C ATOM 859 CG ASP A 62 -7.480 12.850 3.441 1.00 0.00 C ATOM 860 OD1 ASP A 62 -8.578 13.245 3.887 1.00 0.00 O ATOM 861 OD2 ASP A 62 -7.329 12.410 2.282 1.00 0.00 O ATOM 0 H ASP A 62 -7.481 10.583 4.005 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.060 11.499 5.435 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.358 13.768 5.015 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.373 13.054 3.754 1.00 0.00 H new ATOM 866 N GLN A 63 -6.612 12.847 7.237 1.00 0.00 N ATOM 867 CA GLN A 63 -7.284 13.096 8.507 1.00 0.00 C ATOM 868 C GLN A 63 -8.799 13.061 8.337 1.00 0.00 C ATOM 869 O GLN A 63 -9.517 12.554 9.198 1.00 0.00 O ATOM 870 CB GLN A 63 -6.855 14.448 9.079 1.00 0.00 C ATOM 871 CG GLN A 63 -7.272 15.632 8.222 1.00 0.00 C ATOM 872 CD GLN A 63 -6.717 16.947 8.732 1.00 0.00 C ATOM 873 OE1 GLN A 63 -7.468 17.858 9.082 1.00 0.00 O ATOM 874 NE2 GLN A 63 -5.394 17.053 8.778 1.00 0.00 N ATOM 0 H GLN A 63 -5.925 13.555 6.977 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.996 12.307 9.202 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -7.282 14.563 10.075 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.771 14.457 9.194 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -6.933 15.472 7.198 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -8.360 15.689 8.192 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -4.809 16.273 8.478 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.963 17.914 9.113 1.00 0.00 H new ATOM 883 N GLU A 64 -9.277 13.602 7.221 1.00 0.00 N ATOM 884 CA GLU A 64 -10.708 13.633 6.940 1.00 0.00 C ATOM 885 C GLU A 64 -11.184 12.290 6.393 1.00 0.00 C ATOM 886 O GLU A 64 -12.354 11.933 6.525 1.00 0.00 O ATOM 887 CB GLU A 64 -11.030 14.746 5.941 1.00 0.00 C ATOM 888 CG GLU A 64 -12.495 14.801 5.543 1.00 0.00 C ATOM 889 CD GLU A 64 -12.840 16.053 4.759 1.00 0.00 C ATOM 890 OE1 GLU A 64 -12.099 17.050 4.877 1.00 0.00 O ATOM 891 OE2 GLU A 64 -13.852 16.033 4.027 1.00 0.00 O ATOM 0 H GLU A 64 -8.695 14.024 6.497 1.00 0.00 H new ATOM 0 HA GLU A 64 -11.232 13.831 7.875 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.743 15.705 6.373 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.424 14.606 5.046 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -12.738 13.923 4.944 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -13.113 14.756 6.440 1.00 0.00 H new ATOM 898 N GLY A 65 -10.267 11.549 5.778 1.00 0.00 N ATOM 899 CA GLY A 65 -10.611 10.255 5.220 1.00 0.00 C ATOM 900 C GLY A 65 -10.900 10.323 3.733 1.00 0.00 C ATOM 901 O GLY A 65 -11.797 9.643 3.235 1.00 0.00 O ATOM 0 H GLY A 65 -9.292 11.822 5.657 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.792 9.557 5.396 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -11.484 9.859 5.739 1.00 0.00 H new ATOM 905 N LYS A 66 -10.138 11.147 3.021 1.00 0.00 N ATOM 906 CA LYS A 66 -10.315 11.303 1.583 1.00 0.00 C ATOM 907 C LYS A 66 -9.315 10.445 0.815 1.00 0.00 C ATOM 908 O LYS A 66 -8.228 10.131 1.301 1.00 0.00 O ATOM 909 CB LYS A 66 -10.155 12.772 1.184 1.00 0.00 C ATOM 910 CG LYS A 66 -11.405 13.604 1.413 1.00 0.00 C ATOM 911 CD LYS A 66 -12.367 13.500 0.242 1.00 0.00 C ATOM 912 CE LYS A 66 -13.487 14.522 0.348 1.00 0.00 C ATOM 913 NZ LYS A 66 -14.227 14.670 -0.937 1.00 0.00 N ATOM 0 H LYS A 66 -9.391 11.717 3.418 1.00 0.00 H new ATOM 0 HA LYS A 66 -11.322 10.972 1.329 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.331 13.206 1.750 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.881 12.826 0.130 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -11.902 13.272 2.324 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -11.126 14.647 1.564 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -11.824 13.650 -0.691 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -12.791 12.496 0.206 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -14.180 14.221 1.134 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -13.072 15.486 0.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -14.982 15.376 -0.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -13.571 14.982 -1.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -14.645 13.756 -1.204 1.00 0.00 H new ATOM 927 N PRO A 67 -9.687 10.057 -0.414 1.00 0.00 N ATOM 928 CA PRO A 67 -8.835 9.232 -1.275 1.00 0.00 C ATOM 929 C PRO A 67 -7.612 9.990 -1.778 1.00 0.00 C ATOM 930 O PRO A 67 -7.714 11.140 -2.208 1.00 0.00 O ATOM 931 CB PRO A 67 -9.756 8.868 -2.442 1.00 0.00 C ATOM 932 CG PRO A 67 -10.765 9.964 -2.484 1.00 0.00 C ATOM 933 CD PRO A 67 -10.968 10.394 -1.057 1.00 0.00 C ATOM 0 HA PRO A 67 -8.435 8.368 -0.744 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.202 8.804 -3.378 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -10.230 7.899 -2.285 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -10.414 10.795 -3.096 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.700 9.617 -2.924 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -11.185 11.460 -0.985 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.802 9.867 -0.593 1.00 0.00 H new ATOM 941 N LYS A 68 -6.454 9.340 -1.724 1.00 0.00 N ATOM 942 CA LYS A 68 -5.210 9.952 -2.176 1.00 0.00 C ATOM 943 C LYS A 68 -4.601 9.160 -3.328 1.00 0.00 C ATOM 944 O LYS A 68 -4.555 7.930 -3.292 1.00 0.00 O ATOM 945 CB LYS A 68 -4.211 10.039 -1.019 1.00 0.00 C ATOM 946 CG LYS A 68 -4.699 10.885 0.144 1.00 0.00 C ATOM 947 CD LYS A 68 -4.796 12.353 -0.237 1.00 0.00 C ATOM 948 CE LYS A 68 -3.420 12.995 -0.338 1.00 0.00 C ATOM 949 NZ LYS A 68 -2.973 13.557 0.966 1.00 0.00 N ATOM 0 H LYS A 68 -6.351 8.388 -1.371 1.00 0.00 H new ATOM 0 HA LYS A 68 -5.437 10.958 -2.530 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -3.995 9.033 -0.660 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.273 10.453 -1.390 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.676 10.528 0.471 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.019 10.771 0.988 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.314 12.449 -1.191 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.393 12.884 0.505 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.698 12.254 -0.681 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.443 13.787 -1.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.935 13.626 0.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.385 14.503 1.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.286 12.935 1.738 1.00 0.00 H new ATOM 963 N ARG A 69 -4.135 9.872 -4.349 1.00 0.00 N ATOM 964 CA ARG A 69 -3.529 9.236 -5.511 1.00 0.00 C ATOM 965 C ARG A 69 -2.305 8.418 -5.108 1.00 0.00 C ATOM 966 O ARG A 69 -1.309 8.965 -4.635 1.00 0.00 O ATOM 967 CB ARG A 69 -3.133 10.289 -6.548 1.00 0.00 C ATOM 968 CG ARG A 69 -2.705 9.700 -7.882 1.00 0.00 C ATOM 969 CD ARG A 69 -2.007 10.735 -8.750 1.00 0.00 C ATOM 970 NE ARG A 69 -2.900 11.830 -9.120 1.00 0.00 N ATOM 971 CZ ARG A 69 -2.552 12.818 -9.937 1.00 0.00 C ATOM 972 NH1 ARG A 69 -1.337 12.848 -10.466 1.00 0.00 N ATOM 973 NH2 ARG A 69 -3.420 13.779 -10.226 1.00 0.00 N ATOM 0 H ARG A 69 -4.166 10.891 -4.394 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.266 8.563 -5.950 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -3.976 10.961 -6.711 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -2.317 10.892 -6.148 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -2.036 8.857 -7.711 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -3.578 9.313 -8.407 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -1.145 11.135 -8.216 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -1.628 10.255 -9.652 1.00 0.00 H new ATOM 0 HE ARG A 69 -3.842 11.836 -8.730 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -0.667 12.111 -10.246 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -1.072 13.608 -11.093 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -4.356 13.760 -9.821 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -3.151 14.537 -10.853 1.00 0.00 H new ATOM 987 N ALA A 70 -2.388 7.105 -5.297 1.00 0.00 N ATOM 988 CA ALA A 70 -1.288 6.213 -4.954 1.00 0.00 C ATOM 989 C ALA A 70 -0.774 5.476 -6.186 1.00 0.00 C ATOM 990 O ALA A 70 -1.558 4.994 -7.004 1.00 0.00 O ATOM 991 CB ALA A 70 -1.726 5.220 -3.888 1.00 0.00 C ATOM 0 H ALA A 70 -3.206 6.636 -5.686 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.473 6.818 -4.558 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.894 4.560 -3.642 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.038 5.760 -2.994 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.560 4.627 -4.264 1.00 0.00 H new ATOM 997 N ILE A 71 0.546 5.393 -6.313 1.00 0.00 N ATOM 998 CA ILE A 71 1.163 4.714 -7.446 1.00 0.00 C ATOM 999 C ILE A 71 1.543 3.282 -7.087 1.00 0.00 C ATOM 1000 O ILE A 71 2.079 3.021 -6.010 1.00 0.00 O ATOM 1001 CB ILE A 71 2.419 5.461 -7.933 1.00 0.00 C ATOM 1002 CG1 ILE A 71 2.060 6.887 -8.355 1.00 0.00 C ATOM 1003 CG2 ILE A 71 3.068 4.709 -9.086 1.00 0.00 C ATOM 1004 CD1 ILE A 71 3.252 7.814 -8.426 1.00 0.00 C ATOM 0 H ILE A 71 1.209 5.787 -5.645 1.00 0.00 H new ATOM 0 HA ILE A 71 0.425 4.701 -8.248 1.00 0.00 H new ATOM 0 HB ILE A 71 3.133 5.515 -7.111 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.575 6.857 -9.330 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.335 7.294 -7.650 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.954 5.249 -9.420 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.355 3.711 -8.754 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.361 4.628 -9.911 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.923 8.807 -8.731 1.00 0.00 H new ATOM 0 HD12 ILE A 71 3.725 7.874 -7.446 1.00 0.00 H new ATOM 0 HD13 ILE A 71 3.969 7.430 -9.152 1.00 0.00 H new ATOM 1016 N VAL A 72 1.264 2.355 -7.999 1.00 0.00 N ATOM 1017 CA VAL A 72 1.580 0.949 -7.781 1.00 0.00 C ATOM 1018 C VAL A 72 2.714 0.492 -8.692 1.00 0.00 C ATOM 1019 O VAL A 72 2.527 0.322 -9.897 1.00 0.00 O ATOM 1020 CB VAL A 72 0.350 0.054 -8.023 1.00 0.00 C ATOM 1021 CG1 VAL A 72 0.712 -1.412 -7.840 1.00 0.00 C ATOM 1022 CG2 VAL A 72 -0.788 0.450 -7.095 1.00 0.00 C ATOM 0 H VAL A 72 0.820 2.553 -8.896 1.00 0.00 H new ATOM 0 HA VAL A 72 1.892 0.853 -6.741 1.00 0.00 H new ATOM 0 HB VAL A 72 0.016 0.196 -9.051 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -0.169 -2.029 -8.015 1.00 0.00 H new ATOM 0 HG12 VAL A 72 1.493 -1.685 -8.550 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.072 -1.574 -6.824 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.649 -0.193 -7.280 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -0.468 0.339 -6.059 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.064 1.488 -7.280 1.00 0.00 H new ATOM 1032 N HIS A 73 3.892 0.295 -8.108 1.00 0.00 N ATOM 1033 CA HIS A 73 5.058 -0.143 -8.867 1.00 0.00 C ATOM 1034 C HIS A 73 5.097 -1.665 -8.972 1.00 0.00 C ATOM 1035 O HIS A 73 4.971 -2.369 -7.970 1.00 0.00 O ATOM 1036 CB HIS A 73 6.341 0.368 -8.212 1.00 0.00 C ATOM 1037 CG HIS A 73 7.465 0.578 -9.179 1.00 0.00 C ATOM 1038 ND1 HIS A 73 7.312 1.241 -10.379 1.00 0.00 N ATOM 1039 CD2 HIS A 73 8.766 0.210 -9.119 1.00 0.00 C ATOM 1040 CE1 HIS A 73 8.469 1.270 -11.014 1.00 0.00 C ATOM 1041 NE2 HIS A 73 9.368 0.652 -10.271 1.00 0.00 N ATOM 0 H HIS A 73 4.064 0.432 -7.112 1.00 0.00 H new ATOM 0 HA HIS A 73 4.983 0.271 -9.872 1.00 0.00 H new ATOM 0 HB2 HIS A 73 6.130 1.309 -7.704 1.00 0.00 H new ATOM 0 HB3 HIS A 73 6.657 -0.343 -7.449 1.00 0.00 H new ATOM 0 HD2 HIS A 73 9.242 -0.331 -8.314 1.00 0.00 H new ATOM 0 HE1 HIS A 73 8.649 1.723 -11.978 1.00 0.00 H new ATOM 0 HE2 HIS A 73 10.350 0.524 -10.513 1.00 0.00 H new ATOM 1049 N ASP A 74 5.271 -2.164 -10.191 1.00 0.00 N ATOM 1050 CA ASP A 74 5.327 -3.602 -10.426 1.00 0.00 C ATOM 1051 C ASP A 74 6.742 -4.038 -10.797 1.00 0.00 C ATOM 1052 O ASP A 74 7.273 -3.640 -11.833 1.00 0.00 O ATOM 1053 CB ASP A 74 4.352 -3.997 -11.536 1.00 0.00 C ATOM 1054 CG ASP A 74 4.322 -2.988 -12.667 1.00 0.00 C ATOM 1055 OD1 ASP A 74 5.408 -2.612 -13.155 1.00 0.00 O ATOM 1056 OD2 ASP A 74 3.213 -2.573 -13.064 1.00 0.00 O ATOM 0 H ASP A 74 5.376 -1.595 -11.031 1.00 0.00 H new ATOM 0 HA ASP A 74 5.040 -4.107 -9.504 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.633 -4.973 -11.931 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.351 -4.098 -11.117 1.00 0.00 H new ATOM 1061 N ASN A 75 7.347 -4.856 -9.942 1.00 0.00 N ATOM 1062 CA ASN A 75 8.701 -5.344 -10.178 1.00 0.00 C ATOM 1063 C ASN A 75 8.680 -6.789 -10.669 1.00 0.00 C ATOM 1064 O ASN A 75 9.606 -7.241 -11.342 1.00 0.00 O ATOM 1065 CB ASN A 75 9.534 -5.239 -8.899 1.00 0.00 C ATOM 1066 CG ASN A 75 9.347 -3.909 -8.195 1.00 0.00 C ATOM 1067 OD1 ASN A 75 9.592 -2.849 -8.772 1.00 0.00 O ATOM 1068 ND2 ASN A 75 8.912 -3.959 -6.942 1.00 0.00 N ATOM 0 H ASN A 75 6.921 -5.195 -9.079 1.00 0.00 H new ATOM 0 HA ASN A 75 9.155 -4.723 -10.950 1.00 0.00 H new ATOM 0 HB2 ASN A 75 9.258 -6.047 -8.222 1.00 0.00 H new ATOM 0 HB3 ASN A 75 10.588 -5.373 -9.143 1.00 0.00 H new ATOM 0 HD21 ASN A 75 8.768 -3.096 -6.417 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.722 -4.860 -6.504 1.00 0.00 H new ATOM 1075 N LYS A 76 7.617 -7.509 -10.326 1.00 0.00 N ATOM 1076 CA LYS A 76 7.474 -8.902 -10.732 1.00 0.00 C ATOM 1077 C LYS A 76 8.652 -9.736 -10.240 1.00 0.00 C ATOM 1078 O LYS A 76 9.050 -10.706 -10.885 1.00 0.00 O ATOM 1079 CB LYS A 76 7.365 -9.002 -12.255 1.00 0.00 C ATOM 1080 CG LYS A 76 6.006 -8.593 -12.796 1.00 0.00 C ATOM 1081 CD LYS A 76 5.956 -7.109 -13.115 1.00 0.00 C ATOM 1082 CE LYS A 76 6.619 -6.803 -14.449 1.00 0.00 C ATOM 1083 NZ LYS A 76 6.375 -5.398 -14.880 1.00 0.00 N ATOM 0 H LYS A 76 6.842 -7.151 -9.768 1.00 0.00 H new ATOM 0 HA LYS A 76 6.562 -9.294 -10.282 1.00 0.00 H new ATOM 0 HB2 LYS A 76 8.131 -8.373 -12.708 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.574 -10.028 -12.559 1.00 0.00 H new ATOM 0 HG2 LYS A 76 5.784 -9.167 -13.696 1.00 0.00 H new ATOM 0 HG3 LYS A 76 5.235 -8.835 -12.065 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.919 -6.776 -13.138 1.00 0.00 H new ATOM 0 HD3 LYS A 76 6.453 -6.549 -12.323 1.00 0.00 H new ATOM 0 HE2 LYS A 76 7.692 -6.978 -14.370 1.00 0.00 H new ATOM 0 HE3 LYS A 76 6.240 -7.487 -15.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 6.843 -5.229 -15.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 5.352 -5.238 -14.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.759 -4.745 -14.168 1.00 0.00 H new ATOM 1097 N ASP A 77 9.204 -9.354 -9.094 1.00 0.00 N ATOM 1098 CA ASP A 77 10.335 -10.068 -8.514 1.00 0.00 C ATOM 1099 C ASP A 77 10.026 -10.509 -7.087 1.00 0.00 C ATOM 1100 O ASP A 77 10.925 -10.634 -6.256 1.00 0.00 O ATOM 1101 CB ASP A 77 11.585 -9.187 -8.529 1.00 0.00 C ATOM 1102 CG ASP A 77 12.866 -9.998 -8.515 1.00 0.00 C ATOM 1103 OD1 ASP A 77 13.124 -10.716 -9.503 1.00 0.00 O ATOM 1104 OD2 ASP A 77 13.610 -9.914 -7.515 1.00 0.00 O ATOM 0 H ASP A 77 8.886 -8.553 -8.548 1.00 0.00 H new ATOM 0 HA ASP A 77 10.519 -10.956 -9.118 1.00 0.00 H new ATOM 0 HB2 ASP A 77 11.569 -8.554 -9.416 1.00 0.00 H new ATOM 0 HB3 ASP A 77 11.569 -8.524 -7.664 1.00 0.00 H new ATOM 1109 N GLY A 78 8.747 -10.742 -6.809 1.00 0.00 N ATOM 1110 CA GLY A 78 8.341 -11.165 -5.481 1.00 0.00 C ATOM 1111 C GLY A 78 8.007 -9.996 -4.577 1.00 0.00 C ATOM 1112 O GLY A 78 7.173 -10.114 -3.678 1.00 0.00 O ATOM 0 H GLY A 78 7.985 -10.645 -7.480 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.472 -11.818 -5.561 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.141 -11.752 -5.030 1.00 0.00 H new ATOM 1116 N THR A 79 8.659 -8.861 -4.813 1.00 0.00 N ATOM 1117 CA THR A 79 8.428 -7.666 -4.012 1.00 0.00 C ATOM 1118 C THR A 79 7.465 -6.713 -4.710 1.00 0.00 C ATOM 1119 O THR A 79 7.037 -6.964 -5.837 1.00 0.00 O ATOM 1120 CB THR A 79 9.746 -6.923 -3.720 1.00 0.00 C ATOM 1121 OG1 THR A 79 10.298 -6.409 -4.937 1.00 0.00 O ATOM 1122 CG2 THR A 79 10.752 -7.847 -3.051 1.00 0.00 C ATOM 0 H THR A 79 9.351 -8.745 -5.553 1.00 0.00 H new ATOM 0 HA THR A 79 7.989 -7.996 -3.071 1.00 0.00 H new ATOM 0 HB THR A 79 9.529 -6.097 -3.042 1.00 0.00 H new ATOM 0 HG1 THR A 79 11.134 -5.937 -4.743 1.00 0.00 H new ATOM 0 HG21 THR A 79 11.674 -7.300 -2.855 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.340 -8.213 -2.111 1.00 0.00 H new ATOM 0 HG23 THR A 79 10.964 -8.691 -3.708 1.00 0.00 H new ATOM 1130 N TYR A 80 7.127 -5.621 -4.034 1.00 0.00 N ATOM 1131 CA TYR A 80 6.212 -4.631 -4.590 1.00 0.00 C ATOM 1132 C TYR A 80 6.502 -3.244 -4.025 1.00 0.00 C ATOM 1133 O TYR A 80 6.696 -3.079 -2.821 1.00 0.00 O ATOM 1134 CB TYR A 80 4.763 -5.022 -4.292 1.00 0.00 C ATOM 1135 CG TYR A 80 4.374 -6.373 -4.848 1.00 0.00 C ATOM 1136 CD1 TYR A 80 3.894 -6.500 -6.146 1.00 0.00 C ATOM 1137 CD2 TYR A 80 4.485 -7.522 -4.076 1.00 0.00 C ATOM 1138 CE1 TYR A 80 3.537 -7.732 -6.658 1.00 0.00 C ATOM 1139 CE2 TYR A 80 4.132 -8.759 -4.580 1.00 0.00 C ATOM 1140 CZ TYR A 80 3.658 -8.859 -5.872 1.00 0.00 C ATOM 1141 OH TYR A 80 3.303 -10.088 -6.377 1.00 0.00 O ATOM 0 H TYR A 80 7.473 -5.399 -3.100 1.00 0.00 H new ATOM 0 HA TYR A 80 6.360 -4.602 -5.670 1.00 0.00 H new ATOM 0 HB2 TYR A 80 4.611 -5.025 -3.213 1.00 0.00 H new ATOM 0 HB3 TYR A 80 4.098 -4.263 -4.705 1.00 0.00 H new ATOM 0 HD1 TYR A 80 3.799 -5.620 -6.765 1.00 0.00 H new ATOM 0 HD2 TYR A 80 4.854 -7.447 -3.064 1.00 0.00 H new ATOM 0 HE1 TYR A 80 3.165 -7.813 -7.669 1.00 0.00 H new ATOM 0 HE2 TYR A 80 4.227 -9.643 -3.966 1.00 0.00 H new ATOM 0 HH TYR A 80 3.450 -10.777 -5.695 1.00 0.00 H new ATOM 1151 N ALA A 81 6.529 -2.248 -4.906 1.00 0.00 N ATOM 1152 CA ALA A 81 6.793 -0.874 -4.497 1.00 0.00 C ATOM 1153 C ALA A 81 5.539 -0.014 -4.621 1.00 0.00 C ATOM 1154 O ALA A 81 4.747 -0.185 -5.547 1.00 0.00 O ATOM 1155 CB ALA A 81 7.924 -0.284 -5.326 1.00 0.00 C ATOM 0 H ALA A 81 6.371 -2.368 -5.907 1.00 0.00 H new ATOM 0 HA ALA A 81 7.093 -0.884 -3.449 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.110 0.742 -5.009 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.827 -0.877 -5.183 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.646 -0.294 -6.380 1.00 0.00 H new ATOM 1161 N VAL A 82 5.366 0.910 -3.681 1.00 0.00 N ATOM 1162 CA VAL A 82 4.209 1.796 -3.685 1.00 0.00 C ATOM 1163 C VAL A 82 4.607 3.221 -3.316 1.00 0.00 C ATOM 1164 O VAL A 82 5.115 3.473 -2.223 1.00 0.00 O ATOM 1165 CB VAL A 82 3.124 1.308 -2.707 1.00 0.00 C ATOM 1166 CG1 VAL A 82 1.896 2.203 -2.781 1.00 0.00 C ATOM 1167 CG2 VAL A 82 2.757 -0.139 -2.997 1.00 0.00 C ATOM 0 H VAL A 82 6.013 1.064 -2.907 1.00 0.00 H new ATOM 0 HA VAL A 82 3.806 1.785 -4.698 1.00 0.00 H new ATOM 0 HB VAL A 82 3.523 1.362 -1.694 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.140 1.842 -2.083 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.174 3.224 -2.520 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.493 2.185 -3.794 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.989 -0.467 -2.296 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.378 -0.221 -4.016 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.641 -0.768 -2.887 1.00 0.00 H new ATOM 1177 N THR A 83 4.371 4.153 -4.235 1.00 0.00 N ATOM 1178 CA THR A 83 4.705 5.553 -4.007 1.00 0.00 C ATOM 1179 C THR A 83 3.469 6.358 -3.626 1.00 0.00 C ATOM 1180 O THR A 83 2.364 6.076 -4.092 1.00 0.00 O ATOM 1181 CB THR A 83 5.352 6.186 -5.254 1.00 0.00 C ATOM 1182 OG1 THR A 83 6.387 5.333 -5.756 1.00 0.00 O ATOM 1183 CG2 THR A 83 5.930 7.555 -4.927 1.00 0.00 C ATOM 0 H THR A 83 3.950 3.963 -5.144 1.00 0.00 H new ATOM 0 HA THR A 83 5.419 5.578 -3.184 1.00 0.00 H new ATOM 0 HB THR A 83 4.581 6.307 -6.015 1.00 0.00 H new ATOM 0 HG1 THR A 83 6.792 5.742 -6.549 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.381 7.983 -5.822 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.134 8.211 -4.573 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.689 7.454 -4.151 1.00 0.00 H new ATOM 1191 N TYR A 84 3.661 7.361 -2.777 1.00 0.00 N ATOM 1192 CA TYR A 84 2.560 8.207 -2.331 1.00 0.00 C ATOM 1193 C TYR A 84 3.054 9.608 -1.984 1.00 0.00 C ATOM 1194 O TYR A 84 4.006 9.770 -1.219 1.00 0.00 O ATOM 1195 CB TYR A 84 1.868 7.583 -1.118 1.00 0.00 C ATOM 1196 CG TYR A 84 2.630 7.767 0.175 1.00 0.00 C ATOM 1197 CD1 TYR A 84 3.612 6.863 0.561 1.00 0.00 C ATOM 1198 CD2 TYR A 84 2.370 8.847 1.010 1.00 0.00 C ATOM 1199 CE1 TYR A 84 4.310 7.027 1.742 1.00 0.00 C ATOM 1200 CE2 TYR A 84 3.064 9.021 2.191 1.00 0.00 C ATOM 1201 CZ TYR A 84 4.033 8.108 2.553 1.00 0.00 C ATOM 1202 OH TYR A 84 4.727 8.276 3.729 1.00 0.00 O ATOM 0 H TYR A 84 4.569 7.608 -2.384 1.00 0.00 H new ATOM 0 HA TYR A 84 1.843 8.287 -3.149 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.876 8.022 -1.011 1.00 0.00 H new ATOM 0 HB3 TYR A 84 1.728 6.517 -1.299 1.00 0.00 H new ATOM 0 HD1 TYR A 84 3.834 6.017 -0.073 1.00 0.00 H new ATOM 0 HD2 TYR A 84 1.612 9.563 0.730 1.00 0.00 H new ATOM 0 HE1 TYR A 84 5.068 6.313 2.029 1.00 0.00 H new ATOM 0 HE2 TYR A 84 2.850 9.867 2.828 1.00 0.00 H new ATOM 0 HH TYR A 84 4.878 7.403 4.147 1.00 0.00 H new ATOM 1212 N ILE A 85 2.402 10.616 -2.552 1.00 0.00 N ATOM 1213 CA ILE A 85 2.773 12.003 -2.301 1.00 0.00 C ATOM 1214 C ILE A 85 1.800 12.667 -1.333 1.00 0.00 C ATOM 1215 O ILE A 85 0.735 13.150 -1.717 1.00 0.00 O ATOM 1216 CB ILE A 85 2.816 12.819 -3.607 1.00 0.00 C ATOM 1217 CG1 ILE A 85 3.928 12.299 -4.522 1.00 0.00 C ATOM 1218 CG2 ILE A 85 3.020 14.295 -3.303 1.00 0.00 C ATOM 1219 CD1 ILE A 85 3.697 12.603 -5.986 1.00 0.00 C ATOM 0 H ILE A 85 1.614 10.499 -3.189 1.00 0.00 H new ATOM 0 HA ILE A 85 3.769 11.987 -1.858 1.00 0.00 H new ATOM 0 HB ILE A 85 1.863 12.703 -4.122 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.877 12.738 -4.213 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.019 11.220 -4.393 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.048 14.858 -4.236 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.198 14.656 -2.686 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.961 14.430 -2.769 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.524 12.206 -6.575 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.765 12.141 -6.311 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.636 13.682 -6.128 1.00 0.00 H new ATOM 1231 N PRO A 86 2.173 12.693 -0.045 1.00 0.00 N ATOM 1232 CA PRO A 86 1.349 13.297 1.006 1.00 0.00 C ATOM 1233 C PRO A 86 1.285 14.817 0.892 1.00 0.00 C ATOM 1234 O PRO A 86 2.163 15.523 1.387 1.00 0.00 O ATOM 1235 CB PRO A 86 2.063 12.888 2.297 1.00 0.00 C ATOM 1236 CG PRO A 86 3.479 12.665 1.892 1.00 0.00 C ATOM 1237 CD PRO A 86 3.429 12.136 0.485 1.00 0.00 C ATOM 0 HA PRO A 86 0.313 12.964 0.952 1.00 0.00 H new ATOM 0 HB2 PRO A 86 1.986 13.667 3.056 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.626 11.985 2.722 1.00 0.00 H new ATOM 0 HG2 PRO A 86 4.049 13.593 1.940 1.00 0.00 H new ATOM 0 HG3 PRO A 86 3.968 11.955 2.559 1.00 0.00 H new ATOM 0 HD2 PRO A 86 4.291 12.462 -0.098 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.425 11.046 0.465 1.00 0.00 H new ATOM 1245 N ASP A 87 0.242 15.313 0.236 1.00 0.00 N ATOM 1246 CA ASP A 87 0.063 16.749 0.058 1.00 0.00 C ATOM 1247 C ASP A 87 -0.240 17.428 1.390 1.00 0.00 C ATOM 1248 O ASP A 87 0.543 18.245 1.876 1.00 0.00 O ATOM 1249 CB ASP A 87 -1.065 17.025 -0.937 1.00 0.00 C ATOM 1250 CG ASP A 87 -1.152 18.488 -1.323 1.00 0.00 C ATOM 1251 OD1 ASP A 87 -1.413 19.323 -0.431 1.00 0.00 O ATOM 1252 OD2 ASP A 87 -0.959 18.799 -2.517 1.00 0.00 O ATOM 0 H ASP A 87 -0.493 14.742 -0.181 1.00 0.00 H new ATOM 0 HA ASP A 87 0.993 17.160 -0.336 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -0.910 16.425 -1.833 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.014 16.710 -0.503 1.00 0.00 H new ATOM 1257 N LYS A 88 -1.383 17.086 1.976 1.00 0.00 N ATOM 1258 CA LYS A 88 -1.791 17.662 3.252 1.00 0.00 C ATOM 1259 C LYS A 88 -0.895 17.167 4.383 1.00 0.00 C ATOM 1260 O LYS A 88 -0.016 16.331 4.173 1.00 0.00 O ATOM 1261 CB LYS A 88 -3.250 17.309 3.551 1.00 0.00 C ATOM 1262 CG LYS A 88 -4.231 17.866 2.533 1.00 0.00 C ATOM 1263 CD LYS A 88 -4.364 19.375 2.655 1.00 0.00 C ATOM 1264 CE LYS A 88 -5.082 19.970 1.453 1.00 0.00 C ATOM 1265 NZ LYS A 88 -4.839 21.434 1.331 1.00 0.00 N ATOM 0 H LYS A 88 -2.043 16.413 1.587 1.00 0.00 H new ATOM 0 HA LYS A 88 -1.693 18.745 3.182 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -3.353 16.224 3.587 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -3.511 17.687 4.540 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -3.898 17.609 1.527 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -5.207 17.401 2.674 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -4.911 19.621 3.565 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -3.374 19.822 2.747 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -4.746 19.469 0.545 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -6.153 19.786 1.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -5.345 21.802 0.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -5.182 21.915 2.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -3.820 21.609 1.221 1.00 0.00 H new ATOM 1279 N THR A 89 -1.126 17.687 5.585 1.00 0.00 N ATOM 1280 CA THR A 89 -0.340 17.298 6.750 1.00 0.00 C ATOM 1281 C THR A 89 -1.241 16.863 7.900 1.00 0.00 C ATOM 1282 O THR A 89 -2.351 17.369 8.058 1.00 0.00 O ATOM 1283 CB THR A 89 0.563 18.450 7.228 1.00 0.00 C ATOM 1284 OG1 THR A 89 -0.232 19.599 7.541 1.00 0.00 O ATOM 1285 CG2 THR A 89 1.589 18.811 6.164 1.00 0.00 C ATOM 0 H THR A 89 -1.851 18.378 5.777 1.00 0.00 H new ATOM 0 HA THR A 89 0.285 16.459 6.444 1.00 0.00 H new ATOM 0 HB THR A 89 1.091 18.120 8.123 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.350 20.326 7.846 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.215 19.627 6.524 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.212 17.943 5.950 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.076 19.122 5.254 1.00 0.00 H new ATOM 1293 N GLY A 90 -0.755 15.920 8.702 1.00 0.00 N ATOM 1294 CA GLY A 90 -1.530 15.433 9.828 1.00 0.00 C ATOM 1295 C GLY A 90 -1.335 13.949 10.068 1.00 0.00 C ATOM 1296 O GLY A 90 -0.211 13.448 10.019 1.00 0.00 O ATOM 0 H GLY A 90 0.161 15.485 8.592 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.247 15.983 10.725 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.587 15.634 9.652 1.00 0.00 H new ATOM 1300 N ARG A 91 -2.431 13.244 10.328 1.00 0.00 N ATOM 1301 CA ARG A 91 -2.375 11.809 10.579 1.00 0.00 C ATOM 1302 C ARG A 91 -2.778 11.024 9.335 1.00 0.00 C ATOM 1303 O ARG A 91 -3.834 11.267 8.749 1.00 0.00 O ATOM 1304 CB ARG A 91 -3.289 11.438 11.748 1.00 0.00 C ATOM 1305 CG ARG A 91 -4.768 11.472 11.399 1.00 0.00 C ATOM 1306 CD ARG A 91 -5.630 11.624 12.643 1.00 0.00 C ATOM 1307 NE ARG A 91 -5.377 12.885 13.334 1.00 0.00 N ATOM 1308 CZ ARG A 91 -5.621 13.078 14.625 1.00 0.00 C ATOM 1309 NH1 ARG A 91 -6.122 12.096 15.362 1.00 0.00 N ATOM 1310 NH2 ARG A 91 -5.364 14.254 15.182 1.00 0.00 N ATOM 0 H ARG A 91 -3.369 13.643 10.370 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.347 11.550 10.834 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.030 10.439 12.098 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -3.104 12.123 12.575 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -4.963 12.299 10.716 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -5.041 10.556 10.876 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -6.682 11.569 12.364 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -5.436 10.794 13.322 1.00 0.00 H new ATOM 0 HE ARG A 91 -4.992 13.661 12.795 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -6.321 11.190 14.937 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -6.309 12.247 16.353 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -4.978 15.012 14.619 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -5.552 14.401 16.174 1.00 0.00 H new ATOM 1324 N TYR A 92 -1.931 10.081 8.936 1.00 0.00 N ATOM 1325 CA TYR A 92 -2.198 9.262 7.760 1.00 0.00 C ATOM 1326 C TYR A 92 -2.512 7.823 8.158 1.00 0.00 C ATOM 1327 O TYR A 92 -1.824 7.233 8.990 1.00 0.00 O ATOM 1328 CB TYR A 92 -0.999 9.290 6.811 1.00 0.00 C ATOM 1329 CG TYR A 92 -0.956 10.514 5.925 1.00 0.00 C ATOM 1330 CD1 TYR A 92 -1.874 10.682 4.895 1.00 0.00 C ATOM 1331 CD2 TYR A 92 0.002 11.501 6.116 1.00 0.00 C ATOM 1332 CE1 TYR A 92 -1.838 11.799 4.082 1.00 0.00 C ATOM 1333 CE2 TYR A 92 0.044 12.622 5.309 1.00 0.00 C ATOM 1334 CZ TYR A 92 -0.878 12.766 4.294 1.00 0.00 C ATOM 1335 OH TYR A 92 -0.839 13.880 3.487 1.00 0.00 O ATOM 0 H TYR A 92 -1.054 9.865 9.410 1.00 0.00 H new ATOM 0 HA TYR A 92 -3.067 9.677 7.250 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -0.081 9.244 7.397 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -1.022 8.399 6.184 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.628 9.927 4.727 1.00 0.00 H new ATOM 0 HD2 TYR A 92 0.727 11.391 6.909 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -2.558 11.914 3.285 1.00 0.00 H new ATOM 0 HE2 TYR A 92 0.795 13.381 5.472 1.00 0.00 H new ATOM 0 HH TYR A 92 -0.356 14.599 3.945 1.00 0.00 H new ATOM 1345 N MET A 93 -3.558 7.265 7.557 1.00 0.00 N ATOM 1346 CA MET A 93 -3.964 5.894 7.847 1.00 0.00 C ATOM 1347 C MET A 93 -3.885 5.028 6.594 1.00 0.00 C ATOM 1348 O MET A 93 -4.637 5.230 5.640 1.00 0.00 O ATOM 1349 CB MET A 93 -5.386 5.869 8.410 1.00 0.00 C ATOM 1350 CG MET A 93 -5.818 4.499 8.907 1.00 0.00 C ATOM 1351 SD MET A 93 -7.574 4.430 9.311 1.00 0.00 S ATOM 1352 CE MET A 93 -7.505 4.231 11.090 1.00 0.00 C ATOM 0 H MET A 93 -4.139 7.740 6.867 1.00 0.00 H new ATOM 0 HA MET A 93 -3.279 5.488 8.592 1.00 0.00 H new ATOM 0 HB2 MET A 93 -5.456 6.583 9.231 1.00 0.00 H new ATOM 0 HB3 MET A 93 -6.080 6.202 7.638 1.00 0.00 H new ATOM 0 HG2 MET A 93 -5.595 3.753 8.144 1.00 0.00 H new ATOM 0 HG3 MET A 93 -5.235 4.236 9.790 1.00 0.00 H new ATOM 0 HE1 MET A 93 -8.408 3.727 11.435 1.00 0.00 H new ATOM 0 HE2 MET A 93 -6.632 3.635 11.356 1.00 0.00 H new ATOM 0 HE3 MET A 93 -7.433 5.210 11.563 1.00 0.00 H new ATOM 1362 N ILE A 94 -2.970 4.064 6.604 1.00 0.00 N ATOM 1363 CA ILE A 94 -2.795 3.167 5.468 1.00 0.00 C ATOM 1364 C ILE A 94 -3.212 1.743 5.823 1.00 0.00 C ATOM 1365 O ILE A 94 -2.654 1.130 6.732 1.00 0.00 O ATOM 1366 CB ILE A 94 -1.334 3.155 4.980 1.00 0.00 C ATOM 1367 CG1 ILE A 94 -0.893 4.568 4.590 1.00 0.00 C ATOM 1368 CG2 ILE A 94 -1.176 2.202 3.805 1.00 0.00 C ATOM 1369 CD1 ILE A 94 0.609 4.737 4.534 1.00 0.00 C ATOM 0 H ILE A 94 -2.339 3.884 7.385 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.434 3.542 4.668 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.697 2.807 5.793 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.315 4.816 3.616 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.304 5.279 5.306 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.138 2.205 3.471 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.456 1.195 4.113 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.821 2.523 2.987 1.00 0.00 H new ATOM 0 HD11 ILE A 94 0.850 5.762 4.252 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.036 4.521 5.513 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.025 4.050 3.797 1.00 0.00 H new ATOM 1381 N GLY A 95 -4.196 1.222 5.096 1.00 0.00 N ATOM 1382 CA GLY A 95 -4.670 -0.126 5.348 1.00 0.00 C ATOM 1383 C GLY A 95 -4.239 -1.103 4.271 1.00 0.00 C ATOM 1384 O GLY A 95 -4.924 -1.265 3.260 1.00 0.00 O ATOM 0 H GLY A 95 -4.673 1.709 4.337 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -4.295 -0.465 6.313 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -5.758 -0.119 5.414 1.00 0.00 H new ATOM 1388 N VAL A 96 -3.101 -1.754 4.485 1.00 0.00 N ATOM 1389 CA VAL A 96 -2.580 -2.719 3.525 1.00 0.00 C ATOM 1390 C VAL A 96 -3.245 -4.080 3.697 1.00 0.00 C ATOM 1391 O VAL A 96 -3.388 -4.578 4.814 1.00 0.00 O ATOM 1392 CB VAL A 96 -1.055 -2.884 3.666 1.00 0.00 C ATOM 1393 CG1 VAL A 96 -0.539 -3.936 2.696 1.00 0.00 C ATOM 1394 CG2 VAL A 96 -0.353 -1.553 3.444 1.00 0.00 C ATOM 0 H VAL A 96 -2.522 -1.631 5.315 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.806 -2.330 2.532 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.836 -3.220 4.679 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.540 -4.038 2.810 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.019 -4.892 2.907 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.768 -3.633 1.674 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.724 -1.688 3.547 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.578 -1.185 2.443 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.701 -0.831 4.183 1.00 0.00 H new ATOM 1404 N THR A 97 -3.650 -4.680 2.582 1.00 0.00 N ATOM 1405 CA THR A 97 -4.301 -5.983 2.608 1.00 0.00 C ATOM 1406 C THR A 97 -3.751 -6.895 1.517 1.00 0.00 C ATOM 1407 O THR A 97 -3.362 -6.431 0.445 1.00 0.00 O ATOM 1408 CB THR A 97 -5.826 -5.853 2.432 1.00 0.00 C ATOM 1409 OG1 THR A 97 -6.120 -5.037 1.293 1.00 0.00 O ATOM 1410 CG2 THR A 97 -6.465 -5.249 3.673 1.00 0.00 C ATOM 0 H THR A 97 -3.538 -4.283 1.649 1.00 0.00 H new ATOM 0 HA THR A 97 -4.091 -6.421 3.584 1.00 0.00 H new ATOM 0 HB THR A 97 -6.238 -6.851 2.280 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.091 -4.961 1.187 1.00 0.00 H new ATOM 0 HG21 THR A 97 -7.542 -5.167 3.525 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.265 -5.888 4.533 1.00 0.00 H new ATOM 0 HG23 THR A 97 -6.047 -4.258 3.852 1.00 0.00 H new ATOM 1418 N TYR A 98 -3.722 -8.193 1.797 1.00 0.00 N ATOM 1419 CA TYR A 98 -3.217 -9.170 0.839 1.00 0.00 C ATOM 1420 C TYR A 98 -4.171 -10.354 0.715 1.00 0.00 C ATOM 1421 O TYR A 98 -4.483 -11.021 1.700 1.00 0.00 O ATOM 1422 CB TYR A 98 -1.831 -9.660 1.261 1.00 0.00 C ATOM 1423 CG TYR A 98 -1.045 -10.296 0.137 1.00 0.00 C ATOM 1424 CD1 TYR A 98 -0.320 -9.519 -0.757 1.00 0.00 C ATOM 1425 CD2 TYR A 98 -1.028 -11.676 -0.031 1.00 0.00 C ATOM 1426 CE1 TYR A 98 0.399 -10.096 -1.786 1.00 0.00 C ATOM 1427 CE2 TYR A 98 -0.311 -12.261 -1.056 1.00 0.00 C ATOM 1428 CZ TYR A 98 0.400 -11.467 -1.931 1.00 0.00 C ATOM 1429 OH TYR A 98 1.116 -12.046 -2.954 1.00 0.00 O ATOM 0 H TYR A 98 -4.042 -8.593 2.679 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.142 -8.683 -0.133 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -1.263 -8.819 1.659 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -1.941 -10.382 2.070 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.318 -8.445 -0.646 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.585 -12.301 0.652 1.00 0.00 H new ATOM 0 HE1 TYR A 98 0.957 -9.477 -2.473 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.307 -13.335 -1.172 1.00 0.00 H new ATOM 0 HH TYR A 98 1.033 -11.498 -3.762 1.00 0.00 H new ATOM 1439 N GLY A 99 -4.632 -10.609 -0.506 1.00 0.00 N ATOM 1440 CA GLY A 99 -5.545 -11.713 -0.739 1.00 0.00 C ATOM 1441 C GLY A 99 -6.857 -11.545 0.001 1.00 0.00 C ATOM 1442 O GLY A 99 -7.406 -12.510 0.532 1.00 0.00 O ATOM 0 H GLY A 99 -4.389 -10.071 -1.338 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -5.742 -11.798 -1.808 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -5.072 -12.644 -0.427 1.00 0.00 H new ATOM 1446 N GLY A 100 -7.361 -10.315 0.038 1.00 0.00 N ATOM 1447 CA GLY A 100 -8.612 -10.047 0.723 1.00 0.00 C ATOM 1448 C GLY A 100 -8.507 -10.247 2.222 1.00 0.00 C ATOM 1449 O GLY A 100 -9.485 -10.606 2.878 1.00 0.00 O ATOM 0 H GLY A 100 -6.926 -9.500 -0.394 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -8.923 -9.023 0.517 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.388 -10.702 0.326 1.00 0.00 H new ATOM 1453 N ASP A 101 -7.317 -10.016 2.766 1.00 0.00 N ATOM 1454 CA ASP A 101 -7.087 -10.173 4.198 1.00 0.00 C ATOM 1455 C ASP A 101 -6.104 -9.124 4.709 1.00 0.00 C ATOM 1456 O ASP A 101 -4.963 -9.054 4.253 1.00 0.00 O ATOM 1457 CB ASP A 101 -6.558 -11.576 4.499 1.00 0.00 C ATOM 1458 CG ASP A 101 -7.668 -12.602 4.611 1.00 0.00 C ATOM 1459 OD1 ASP A 101 -8.271 -12.707 5.700 1.00 0.00 O ATOM 1460 OD2 ASP A 101 -7.934 -13.299 3.610 1.00 0.00 O ATOM 0 H ASP A 101 -6.497 -9.719 2.237 1.00 0.00 H new ATOM 0 HA ASP A 101 -8.038 -10.033 4.712 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -5.867 -11.877 3.712 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -5.991 -11.555 5.430 1.00 0.00 H new ATOM 1465 N ASP A 102 -6.556 -8.310 5.657 1.00 0.00 N ATOM 1466 CA ASP A 102 -5.716 -7.265 6.230 1.00 0.00 C ATOM 1467 C ASP A 102 -4.665 -7.861 7.161 1.00 0.00 C ATOM 1468 O ASP A 102 -4.919 -8.852 7.846 1.00 0.00 O ATOM 1469 CB ASP A 102 -6.574 -6.252 6.991 1.00 0.00 C ATOM 1470 CG ASP A 102 -7.739 -6.904 7.708 1.00 0.00 C ATOM 1471 OD1 ASP A 102 -7.514 -7.510 8.777 1.00 0.00 O ATOM 1472 OD2 ASP A 102 -8.877 -6.810 7.201 1.00 0.00 O ATOM 0 H ASP A 102 -7.499 -8.354 6.044 1.00 0.00 H new ATOM 0 HA ASP A 102 -5.204 -6.756 5.413 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -5.953 -5.726 7.716 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -6.952 -5.504 6.294 1.00 0.00 H new ATOM 1477 N ILE A 103 -3.485 -7.251 7.180 1.00 0.00 N ATOM 1478 CA ILE A 103 -2.396 -7.722 8.027 1.00 0.00 C ATOM 1479 C ILE A 103 -2.657 -7.391 9.492 1.00 0.00 C ATOM 1480 O ILE A 103 -3.395 -6.463 9.823 1.00 0.00 O ATOM 1481 CB ILE A 103 -1.048 -7.107 7.605 1.00 0.00 C ATOM 1482 CG1 ILE A 103 -1.215 -5.616 7.304 1.00 0.00 C ATOM 1483 CG2 ILE A 103 -0.488 -7.838 6.394 1.00 0.00 C ATOM 1484 CD1 ILE A 103 0.096 -4.865 7.224 1.00 0.00 C ATOM 0 H ILE A 103 -3.258 -6.430 6.619 1.00 0.00 H new ATOM 0 HA ILE A 103 -2.346 -8.804 7.905 1.00 0.00 H new ATOM 0 HB ILE A 103 -0.342 -7.215 8.429 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -1.748 -5.502 6.360 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -1.836 -5.165 8.078 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.464 -7.392 6.108 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -0.337 -8.889 6.641 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -1.190 -7.758 5.564 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -0.099 -3.815 7.008 1.00 0.00 H new ATOM 0 HD12 ILE A 103 0.622 -4.948 8.175 1.00 0.00 H new ATOM 0 HD13 ILE A 103 0.711 -5.290 6.431 1.00 0.00 H new ATOM 1496 N PRO A 104 -2.035 -8.166 10.394 1.00 0.00 N ATOM 1497 CA PRO A 104 -2.182 -7.973 11.839 1.00 0.00 C ATOM 1498 C PRO A 104 -1.506 -6.696 12.326 1.00 0.00 C ATOM 1499 O PRO A 104 -1.485 -6.409 13.523 1.00 0.00 O ATOM 1500 CB PRO A 104 -1.492 -9.203 12.434 1.00 0.00 C ATOM 1501 CG PRO A 104 -0.512 -9.626 11.395 1.00 0.00 C ATOM 1502 CD PRO A 104 -1.140 -9.290 10.071 1.00 0.00 C ATOM 0 HA PRO A 104 -3.227 -7.870 12.131 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -0.994 -8.962 13.373 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -2.210 -9.995 12.647 1.00 0.00 H new ATOM 0 HG2 PRO A 104 0.438 -9.106 11.520 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -0.303 -10.693 11.468 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -0.391 -9.008 9.331 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -1.690 -10.137 9.661 1.00 0.00 H new ATOM 1510 N LEU A 105 -0.953 -5.932 11.390 1.00 0.00 N ATOM 1511 CA LEU A 105 -0.275 -4.684 11.723 1.00 0.00 C ATOM 1512 C LEU A 105 -1.133 -3.480 11.346 1.00 0.00 C ATOM 1513 O LEU A 105 -1.050 -2.424 11.974 1.00 0.00 O ATOM 1514 CB LEU A 105 1.074 -4.606 11.007 1.00 0.00 C ATOM 1515 CG LEU A 105 2.213 -5.414 11.631 1.00 0.00 C ATOM 1516 CD1 LEU A 105 2.651 -4.791 12.948 1.00 0.00 C ATOM 1517 CD2 LEU A 105 1.788 -6.860 11.839 1.00 0.00 C ATOM 0 H LEU A 105 -0.961 -6.155 10.395 1.00 0.00 H new ATOM 0 HA LEU A 105 -0.109 -4.666 12.800 1.00 0.00 H new ATOM 0 HB2 LEU A 105 0.937 -4.942 9.979 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.379 -3.561 10.962 1.00 0.00 H new ATOM 0 HG LEU A 105 3.061 -5.399 10.946 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.462 -5.380 13.377 1.00 0.00 H new ATOM 0 HD12 LEU A 105 2.996 -3.772 12.772 1.00 0.00 H new ATOM 0 HD13 LEU A 105 1.809 -4.774 13.640 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.610 -7.421 12.284 1.00 0.00 H new ATOM 0 HD22 LEU A 105 0.925 -6.893 12.504 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.524 -7.303 10.879 1.00 0.00 H new ATOM 1529 N SER A 106 -1.960 -3.648 10.319 1.00 0.00 N ATOM 1530 CA SER A 106 -2.833 -2.575 9.857 1.00 0.00 C ATOM 1531 C SER A 106 -3.914 -2.272 10.890 1.00 0.00 C ATOM 1532 O SER A 106 -4.318 -3.131 11.674 1.00 0.00 O ATOM 1533 CB SER A 106 -3.479 -2.953 8.523 1.00 0.00 C ATOM 1534 OG SER A 106 -4.216 -4.158 8.636 1.00 0.00 O ATOM 0 H SER A 106 -2.044 -4.517 9.791 1.00 0.00 H new ATOM 0 HA SER A 106 -2.226 -1.680 9.718 1.00 0.00 H new ATOM 0 HB2 SER A 106 -4.138 -2.150 8.194 1.00 0.00 H new ATOM 0 HB3 SER A 106 -2.708 -3.065 7.761 1.00 0.00 H new ATOM 0 HG SER A 106 -3.678 -4.827 9.109 1.00 0.00 H new ATOM 1540 N PRO A 107 -4.394 -1.020 10.893 1.00 0.00 N ATOM 1541 CA PRO A 107 -3.921 0.012 9.965 1.00 0.00 C ATOM 1542 C PRO A 107 -2.494 0.454 10.270 1.00 0.00 C ATOM 1543 O PRO A 107 -1.845 -0.084 11.167 1.00 0.00 O ATOM 1544 CB PRO A 107 -4.898 1.168 10.190 1.00 0.00 C ATOM 1545 CG PRO A 107 -5.402 0.973 11.579 1.00 0.00 C ATOM 1546 CD PRO A 107 -5.437 -0.514 11.802 1.00 0.00 C ATOM 0 HA PRO A 107 -3.895 -0.347 8.936 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -4.402 2.132 10.081 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -5.713 1.144 9.466 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -4.749 1.461 12.303 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -6.394 1.409 11.699 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -5.224 -0.770 12.840 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -6.415 -0.933 11.565 1.00 0.00 H new ATOM 1554 N TYR A 108 -2.011 1.437 9.518 1.00 0.00 N ATOM 1555 CA TYR A 108 -0.659 1.950 9.707 1.00 0.00 C ATOM 1556 C TYR A 108 -0.686 3.424 10.100 1.00 0.00 C ATOM 1557 O TYR A 108 -1.111 4.278 9.322 1.00 0.00 O ATOM 1558 CB TYR A 108 0.162 1.767 8.429 1.00 0.00 C ATOM 1559 CG TYR A 108 0.760 0.386 8.287 1.00 0.00 C ATOM 1560 CD1 TYR A 108 1.883 0.016 9.017 1.00 0.00 C ATOM 1561 CD2 TYR A 108 0.204 -0.549 7.422 1.00 0.00 C ATOM 1562 CE1 TYR A 108 2.434 -1.245 8.890 1.00 0.00 C ATOM 1563 CE2 TYR A 108 0.747 -1.812 7.290 1.00 0.00 C ATOM 1564 CZ TYR A 108 1.862 -2.155 8.026 1.00 0.00 C ATOM 1565 OH TYR A 108 2.407 -3.412 7.896 1.00 0.00 O ATOM 0 H TYR A 108 -2.535 1.894 8.772 1.00 0.00 H new ATOM 0 HA TYR A 108 -0.193 1.385 10.514 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -0.473 1.969 7.567 1.00 0.00 H new ATOM 0 HB3 TYR A 108 0.964 2.505 8.414 1.00 0.00 H new ATOM 0 HD1 TYR A 108 2.333 0.726 9.695 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -0.668 -0.283 6.843 1.00 0.00 H new ATOM 0 HE1 TYR A 108 3.308 -1.516 9.464 1.00 0.00 H new ATOM 0 HE2 TYR A 108 0.301 -2.527 6.614 1.00 0.00 H new ATOM 0 HH TYR A 108 2.830 -3.674 8.740 1.00 0.00 H new ATOM 1575 N ARG A 109 -0.228 3.714 11.313 1.00 0.00 N ATOM 1576 CA ARG A 109 -0.199 5.084 11.812 1.00 0.00 C ATOM 1577 C ARG A 109 1.072 5.799 11.364 1.00 0.00 C ATOM 1578 O ARG A 109 2.181 5.384 11.701 1.00 0.00 O ATOM 1579 CB ARG A 109 -0.293 5.096 13.339 1.00 0.00 C ATOM 1580 CG ARG A 109 -1.615 4.569 13.872 1.00 0.00 C ATOM 1581 CD ARG A 109 -1.975 5.213 15.202 1.00 0.00 C ATOM 1582 NE ARG A 109 -3.200 4.653 15.767 1.00 0.00 N ATOM 1583 CZ ARG A 109 -3.926 5.263 16.698 1.00 0.00 C ATOM 1584 NH1 ARG A 109 -3.551 6.445 17.165 1.00 0.00 N ATOM 1585 NH2 ARG A 109 -5.029 4.689 17.162 1.00 0.00 N ATOM 0 H ARG A 109 0.128 3.019 11.969 1.00 0.00 H new ATOM 0 HA ARG A 109 -1.058 5.613 11.398 1.00 0.00 H new ATOM 0 HB2 ARG A 109 0.519 4.496 13.749 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -0.148 6.116 13.695 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -2.405 4.764 13.146 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -1.554 3.488 13.995 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -1.154 5.074 15.906 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -2.098 6.287 15.063 1.00 0.00 H new ATOM 0 HE ARG A 109 -3.515 3.744 15.428 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -2.704 6.888 16.810 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -4.110 6.912 17.880 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -5.320 3.779 16.804 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -5.586 5.158 17.877 1.00 0.00 H new ATOM 1599 N ILE A 110 0.902 6.875 10.602 1.00 0.00 N ATOM 1600 CA ILE A 110 2.036 7.647 10.109 1.00 0.00 C ATOM 1601 C ILE A 110 1.710 9.136 10.069 1.00 0.00 C ATOM 1602 O ILE A 110 0.552 9.525 9.919 1.00 0.00 O ATOM 1603 CB ILE A 110 2.460 7.188 8.701 1.00 0.00 C ATOM 1604 CG1 ILE A 110 2.369 5.665 8.588 1.00 0.00 C ATOM 1605 CG2 ILE A 110 3.871 7.664 8.392 1.00 0.00 C ATOM 1606 CD1 ILE A 110 2.648 5.144 7.196 1.00 0.00 C ATOM 0 H ILE A 110 -0.009 7.231 10.313 1.00 0.00 H new ATOM 0 HA ILE A 110 2.860 7.476 10.802 1.00 0.00 H new ATOM 0 HB ILE A 110 1.781 7.629 7.971 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.076 5.214 9.284 1.00 0.00 H new ATOM 0 HG13 ILE A 110 1.373 5.345 8.894 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.157 7.332 7.394 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.906 8.753 8.436 1.00 0.00 H new ATOM 0 HG23 ILE A 110 4.564 7.249 9.124 1.00 0.00 H new ATOM 0 HD11 ILE A 110 2.566 4.057 7.191 1.00 0.00 H new ATOM 0 HD12 ILE A 110 1.925 5.566 6.498 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.655 5.433 6.894 1.00 0.00 H new ATOM 1618 N ARG A 111 2.741 9.965 10.203 1.00 0.00 N ATOM 1619 CA ARG A 111 2.565 11.412 10.182 1.00 0.00 C ATOM 1620 C ARG A 111 3.453 12.053 9.119 1.00 0.00 C ATOM 1621 O ARG A 111 4.491 11.503 8.750 1.00 0.00 O ATOM 1622 CB ARG A 111 2.884 12.007 11.555 1.00 0.00 C ATOM 1623 CG ARG A 111 3.288 13.471 11.506 1.00 0.00 C ATOM 1624 CD ARG A 111 3.196 14.121 12.878 1.00 0.00 C ATOM 1625 NE ARG A 111 4.143 15.222 13.026 1.00 0.00 N ATOM 1626 CZ ARG A 111 4.592 15.652 14.201 1.00 0.00 C ATOM 1627 NH1 ARG A 111 4.181 15.076 15.322 1.00 0.00 N ATOM 1628 NH2 ARG A 111 5.453 16.659 14.255 1.00 0.00 N ATOM 0 H ARG A 111 3.706 9.659 10.327 1.00 0.00 H new ATOM 0 HA ARG A 111 1.524 11.622 9.936 1.00 0.00 H new ATOM 0 HB2 ARG A 111 2.011 11.901 12.199 1.00 0.00 H new ATOM 0 HB3 ARG A 111 3.689 11.432 12.012 1.00 0.00 H new ATOM 0 HG2 ARG A 111 4.307 13.556 11.130 1.00 0.00 H new ATOM 0 HG3 ARG A 111 2.645 14.004 10.806 1.00 0.00 H new ATOM 0 HD2 ARG A 111 2.183 14.490 13.037 1.00 0.00 H new ATOM 0 HD3 ARG A 111 3.387 13.373 13.647 1.00 0.00 H new ATOM 0 HE ARG A 111 4.478 15.687 12.182 1.00 0.00 H new ATOM 0 HH11 ARG A 111 3.519 14.301 15.284 1.00 0.00 H new ATOM 0 HH12 ARG A 111 4.527 15.408 16.222 1.00 0.00 H new ATOM 0 HH21 ARG A 111 5.771 17.104 13.394 1.00 0.00 H new ATOM 0 HH22 ARG A 111 5.797 16.988 15.157 1.00 0.00 H new ATOM 1642 N ALA A 112 3.038 13.217 8.631 1.00 0.00 N ATOM 1643 CA ALA A 112 3.796 13.932 7.612 1.00 0.00 C ATOM 1644 C ALA A 112 4.456 15.178 8.193 1.00 0.00 C ATOM 1645 O ALA A 112 3.812 16.214 8.363 1.00 0.00 O ATOM 1646 CB ALA A 112 2.892 14.306 6.447 1.00 0.00 C ATOM 0 H ALA A 112 2.181 13.685 8.925 1.00 0.00 H new ATOM 0 HA ALA A 112 4.583 13.271 7.249 1.00 0.00 H new ATOM 0 HB1 ALA A 112 3.471 14.839 5.694 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.471 13.401 6.008 1.00 0.00 H new ATOM 0 HB3 ALA A 112 2.085 14.946 6.804 1.00 0.00 H new ATOM 1652 N THR A 113 5.746 15.072 8.497 1.00 0.00 N ATOM 1653 CA THR A 113 6.493 16.189 9.061 1.00 0.00 C ATOM 1654 C THR A 113 6.738 17.270 8.015 1.00 0.00 C ATOM 1655 O THR A 113 7.585 17.116 7.137 1.00 0.00 O ATOM 1656 CB THR A 113 7.847 15.728 9.633 1.00 0.00 C ATOM 1657 OG1 THR A 113 8.660 15.184 8.587 1.00 0.00 O ATOM 1658 CG2 THR A 113 7.648 14.685 10.722 1.00 0.00 C ATOM 0 H THR A 113 6.295 14.223 8.362 1.00 0.00 H new ATOM 0 HA THR A 113 5.887 16.599 9.869 1.00 0.00 H new ATOM 0 HB THR A 113 8.346 16.593 10.069 1.00 0.00 H new ATOM 0 HG1 THR A 113 8.500 15.679 7.757 1.00 0.00 H new ATOM 0 HG21 THR A 113 8.618 14.375 11.110 1.00 0.00 H new ATOM 0 HG22 THR A 113 7.053 15.111 11.530 1.00 0.00 H new ATOM 0 HG23 THR A 113 7.130 13.820 10.307 1.00 0.00 H new