USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=21 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 107 MET CE :methyl 150:sc= 0 (180deg=-0.589) USER MOD Set 1.2: A 111 MET CE :methyl -178:sc= -2.67! (180deg=-2.85!) USER MOD Set 2.1: A 94 MET CE :methyl 175:sc= -1.38 (180deg=-1.1) USER MOD Set 2.2: A 97 TYR OH : rot 180:sc= -0.222 USER MOD Set 3.1: A 28 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -127:sc= -0.473 (180deg=-1.98!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 CYS SG : rot -8:sc= 0.988 USER MOD Single : A 52 TYR OH : rot 180:sc= -0.825 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0.0192 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc=-0.00121 X(o=-0.0012,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 HIS : no HD1:sc= -8.89! C(o=-8.9!,f=-16!) USER MOD Single : A 93 ASN : amide:sc= -0.0474 X(o=-0.047,f=-0.075) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 CYS SG : rot -104:sc= 1.7 USER MOD Single : A 101 THR OG1 : rot 113:sc= 0.3 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -119:sc= -0.139 (180deg=-0.652) USER MOD Single : A 112 LYS NZ :NH3+ -161:sc= -0.046 (180deg=-0.298) USER MOD Single : A 114 MET CE :methyl 148:sc= -0.117 (180deg=-1.2) USER MOD ----------------------------------------------------------------- ATOM 265 N PRO A 20 -13.436 -3.777 4.575 1.00 0.00 N ATOM 266 CA PRO A 20 -12.480 -4.206 5.600 1.00 0.00 C ATOM 267 C PRO A 20 -11.049 -4.250 5.076 1.00 0.00 C ATOM 268 O PRO A 20 -10.728 -5.037 4.185 1.00 0.00 O ATOM 269 CB PRO A 20 -12.960 -5.613 5.966 1.00 0.00 C ATOM 270 CG PRO A 20 -14.422 -5.601 5.680 1.00 0.00 C ATOM 271 CD PRO A 20 -14.631 -4.637 4.534 1.00 0.00 C ATOM 0 HA PRO A 20 -12.452 -3.518 6.445 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.447 -6.372 5.375 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -12.764 -5.838 7.014 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -14.773 -6.599 5.416 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -14.986 -5.287 6.558 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.715 -5.160 3.581 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.545 -4.057 4.661 1.00 0.00 H new ATOM 279 N VAL A 21 -10.192 -3.402 5.635 1.00 0.00 N ATOM 280 CA VAL A 21 -8.794 -3.345 5.225 1.00 0.00 C ATOM 281 C VAL A 21 -8.031 -4.575 5.703 1.00 0.00 C ATOM 282 O VAL A 21 -8.111 -4.952 6.872 1.00 0.00 O ATOM 283 CB VAL A 21 -8.101 -2.081 5.766 1.00 0.00 C ATOM 284 CG1 VAL A 21 -6.678 -1.984 5.238 1.00 0.00 C ATOM 285 CG2 VAL A 21 -8.899 -0.838 5.402 1.00 0.00 C ATOM 0 H VAL A 21 -10.442 -2.744 6.374 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.785 -3.316 4.135 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.056 -2.150 6.853 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.205 -1.084 5.631 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.112 -2.860 5.555 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.696 -1.938 4.149 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.394 0.046 5.792 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.978 -0.761 4.318 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.897 -0.907 5.835 1.00 0.00 H new ATOM 295 N VAL A 22 -7.290 -5.197 4.792 1.00 0.00 N ATOM 296 CA VAL A 22 -6.510 -6.384 5.121 1.00 0.00 C ATOM 297 C VAL A 22 -5.322 -6.032 6.010 1.00 0.00 C ATOM 298 O VAL A 22 -5.166 -6.582 7.100 1.00 0.00 O ATOM 299 CB VAL A 22 -5.996 -7.088 3.851 1.00 0.00 C ATOM 300 CG1 VAL A 22 -5.041 -8.214 4.214 1.00 0.00 C ATOM 301 CG2 VAL A 22 -7.161 -7.611 3.023 1.00 0.00 C ATOM 0 H VAL A 22 -7.213 -4.898 3.820 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.175 -7.060 5.658 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.450 -6.361 3.249 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.688 -8.700 3.304 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.191 -7.808 4.761 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.559 -8.943 4.837 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.779 -8.105 2.130 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.737 -8.323 3.614 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.802 -6.779 2.731 1.00 0.00 H new ATOM 311 N ARG A 23 -4.488 -5.112 5.536 1.00 0.00 N ATOM 312 CA ARG A 23 -3.314 -4.687 6.288 1.00 0.00 C ATOM 313 C ARG A 23 -2.722 -3.411 5.697 1.00 0.00 C ATOM 314 O ARG A 23 -2.538 -3.304 4.484 1.00 0.00 O ATOM 315 CB ARG A 23 -2.258 -5.795 6.296 1.00 0.00 C ATOM 316 CG ARG A 23 -1.387 -5.797 7.541 1.00 0.00 C ATOM 317 CD ARG A 23 -0.460 -7.002 7.570 1.00 0.00 C ATOM 318 NE ARG A 23 -1.084 -8.158 8.210 1.00 0.00 N ATOM 319 CZ ARG A 23 -1.445 -8.184 9.488 1.00 0.00 C ATOM 320 NH1 ARG A 23 -1.246 -7.124 10.258 1.00 0.00 N ATOM 321 NH2 ARG A 23 -2.007 -9.273 9.997 1.00 0.00 N ATOM 0 H ARG A 23 -4.604 -4.647 4.635 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.625 -4.483 7.313 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.756 -6.761 6.210 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.622 -5.685 5.418 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.797 -4.881 7.575 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.019 -5.801 8.429 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.173 -7.263 6.551 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.455 -6.743 8.103 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.251 -8.990 7.645 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.815 -6.285 9.870 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.524 -7.147 11.239 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.162 -10.090 9.407 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.284 -9.293 10.978 1.00 0.00 H new ATOM 335 N ARG A 24 -2.429 -2.445 6.561 1.00 0.00 N ATOM 336 CA ARG A 24 -1.860 -1.175 6.125 1.00 0.00 C ATOM 337 C ARG A 24 -0.533 -0.904 6.826 1.00 0.00 C ATOM 338 O ARG A 24 -0.456 -0.902 8.054 1.00 0.00 O ATOM 339 CB ARG A 24 -2.838 -0.032 6.402 1.00 0.00 C ATOM 340 CG ARG A 24 -3.337 0.008 7.837 1.00 0.00 C ATOM 341 CD ARG A 24 -4.192 1.239 8.095 1.00 0.00 C ATOM 342 NE ARG A 24 -4.253 1.575 9.515 1.00 0.00 N ATOM 343 CZ ARG A 24 -4.922 0.859 10.412 1.00 0.00 C ATOM 344 NH1 ARG A 24 -5.584 -0.228 10.037 1.00 0.00 N ATOM 345 NH2 ARG A 24 -4.930 1.229 11.686 1.00 0.00 N ATOM 0 H ARG A 24 -2.576 -2.517 7.568 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.678 -1.237 5.052 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.352 0.915 6.169 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.692 -0.126 5.732 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.918 -0.890 8.047 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.487 0.004 8.519 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.787 2.085 7.539 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.201 1.065 7.720 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.755 2.405 9.836 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.580 -0.515 9.058 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.097 -0.776 10.727 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.422 2.064 11.978 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.444 0.678 12.374 1.00 0.00 H new ATOM 359 N GLY A 25 0.512 -0.676 6.036 1.00 0.00 N ATOM 360 CA GLY A 25 1.823 -0.408 6.599 1.00 0.00 C ATOM 361 C GLY A 25 2.736 0.311 5.625 1.00 0.00 C ATOM 362 O GLY A 25 2.475 0.336 4.422 1.00 0.00 O ATOM 0 H GLY A 25 0.474 -0.672 5.017 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.712 0.195 7.500 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.285 -1.348 6.899 1.00 0.00 H new ATOM 366 N TRP A 26 3.807 0.899 6.145 1.00 0.00 N ATOM 367 CA TRP A 26 4.760 1.624 5.313 1.00 0.00 C ATOM 368 C TRP A 26 5.540 0.667 4.418 1.00 0.00 C ATOM 369 O TRP A 26 6.485 0.016 4.863 1.00 0.00 O ATOM 370 CB TRP A 26 5.727 2.425 6.188 1.00 0.00 C ATOM 371 CG TRP A 26 5.075 3.575 6.894 1.00 0.00 C ATOM 372 CD1 TRP A 26 4.470 3.549 8.118 1.00 0.00 C ATOM 373 CD2 TRP A 26 4.961 4.920 6.416 1.00 0.00 C ATOM 374 NE1 TRP A 26 3.987 4.797 8.430 1.00 0.00 N ATOM 375 CE2 TRP A 26 4.276 5.656 7.403 1.00 0.00 C ATOM 376 CE3 TRP A 26 5.372 5.575 5.252 1.00 0.00 C ATOM 377 CZ2 TRP A 26 3.994 7.012 7.258 1.00 0.00 C ATOM 378 CZ3 TRP A 26 5.091 6.920 5.110 1.00 0.00 C ATOM 379 CH2 TRP A 26 4.408 7.627 6.108 1.00 0.00 C ATOM 0 H TRP A 26 4.037 0.888 7.139 1.00 0.00 H new ATOM 0 HA TRP A 26 4.200 2.311 4.678 1.00 0.00 H new ATOM 0 HB2 TRP A 26 6.173 1.760 6.927 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.540 2.802 5.567 1.00 0.00 H new ATOM 0 HD1 TRP A 26 4.384 2.676 8.748 1.00 0.00 H new ATOM 0 HE1 TRP A 26 3.493 5.044 9.288 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.900 5.039 4.477 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 3.467 7.559 8.026 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 5.403 7.436 4.214 1.00 0.00 H new ATOM 0 HH2 TRP A 26 4.204 8.678 5.967 1.00 0.00 H new ATOM 390 N LEU A 27 5.138 0.586 3.154 1.00 0.00 N ATOM 391 CA LEU A 27 5.799 -0.292 2.196 1.00 0.00 C ATOM 392 C LEU A 27 6.708 0.504 1.265 1.00 0.00 C ATOM 393 O LEU A 27 6.452 1.675 0.983 1.00 0.00 O ATOM 394 CB LEU A 27 4.761 -1.062 1.378 1.00 0.00 C ATOM 395 CG LEU A 27 5.313 -2.024 0.326 1.00 0.00 C ATOM 396 CD1 LEU A 27 6.088 -3.152 0.989 1.00 0.00 C ATOM 397 CD2 LEU A 27 4.187 -2.581 -0.532 1.00 0.00 C ATOM 0 H LEU A 27 4.357 1.118 2.769 1.00 0.00 H new ATOM 0 HA LEU A 27 6.411 -1.001 2.753 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.134 -1.629 2.066 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.114 -0.341 0.878 1.00 0.00 H new ATOM 0 HG LEU A 27 5.995 -1.472 -0.320 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.473 -3.827 0.225 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.919 -2.737 1.559 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.428 -3.702 1.659 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.599 -3.264 -1.275 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.479 -3.117 0.100 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.675 -1.762 -1.037 1.00 0.00 H new ATOM 409 N TYR A 28 7.769 -0.139 0.790 1.00 0.00 N ATOM 410 CA TYR A 28 8.716 0.509 -0.110 1.00 0.00 C ATOM 411 C TYR A 28 8.418 0.153 -1.563 1.00 0.00 C ATOM 412 O TYR A 28 7.929 -0.937 -1.861 1.00 0.00 O ATOM 413 CB TYR A 28 10.147 0.102 0.244 1.00 0.00 C ATOM 414 CG TYR A 28 10.511 0.359 1.688 1.00 0.00 C ATOM 415 CD1 TYR A 28 10.676 1.654 2.164 1.00 0.00 C ATOM 416 CD2 TYR A 28 10.688 -0.693 2.578 1.00 0.00 C ATOM 417 CE1 TYR A 28 11.009 1.894 3.483 1.00 0.00 C ATOM 418 CE2 TYR A 28 11.019 -0.463 3.900 1.00 0.00 C ATOM 419 CZ TYR A 28 11.179 0.832 4.347 1.00 0.00 C ATOM 420 OH TYR A 28 11.509 1.067 5.662 1.00 0.00 O ATOM 0 H TYR A 28 7.995 -1.108 1.013 1.00 0.00 H new ATOM 0 HA TYR A 28 8.612 1.588 0.009 1.00 0.00 H new ATOM 0 HB2 TYR A 28 10.278 -0.958 0.029 1.00 0.00 H new ATOM 0 HB3 TYR A 28 10.840 0.646 -0.399 1.00 0.00 H new ATOM 0 HD1 TYR A 28 10.542 2.488 1.491 1.00 0.00 H new ATOM 0 HD2 TYR A 28 10.565 -1.708 2.231 1.00 0.00 H new ATOM 0 HE1 TYR A 28 11.135 2.907 3.836 1.00 0.00 H new ATOM 0 HE2 TYR A 28 11.152 -1.292 4.579 1.00 0.00 H new ATOM 0 HH TYR A 28 11.591 0.213 6.136 1.00 0.00 H new ATOM 430 N LYS A 29 8.717 1.081 -2.466 1.00 0.00 N ATOM 431 CA LYS A 29 8.484 0.868 -3.889 1.00 0.00 C ATOM 432 C LYS A 29 9.503 1.633 -4.728 1.00 0.00 C ATOM 433 O LYS A 29 10.153 2.557 -4.239 1.00 0.00 O ATOM 434 CB LYS A 29 7.066 1.304 -4.267 1.00 0.00 C ATOM 435 CG LYS A 29 6.626 0.821 -5.638 1.00 0.00 C ATOM 436 CD LYS A 29 5.207 1.261 -5.954 1.00 0.00 C ATOM 437 CE LYS A 29 5.175 2.666 -6.535 1.00 0.00 C ATOM 438 NZ LYS A 29 5.242 3.707 -5.472 1.00 0.00 N ATOM 0 H LYS A 29 9.122 1.989 -2.237 1.00 0.00 H new ATOM 0 HA LYS A 29 8.596 -0.197 -4.094 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.368 0.930 -3.518 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.010 2.392 -4.239 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.306 1.208 -6.397 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.689 -0.266 -5.679 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.758 0.564 -6.661 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.604 1.228 -5.047 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.011 2.794 -7.222 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.262 2.798 -7.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.452 4.373 -5.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.178 3.254 -4.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.143 4.222 -5.546 1.00 0.00 H new ATOM 571 N TRP A 38 14.299 2.800 -3.645 1.00 0.00 N ATOM 572 CA TRP A 38 13.127 2.430 -2.860 1.00 0.00 C ATOM 573 C TRP A 38 12.641 3.606 -2.020 1.00 0.00 C ATOM 574 O TRP A 38 13.270 3.975 -1.028 1.00 0.00 O ATOM 575 CB TRP A 38 13.450 1.239 -1.956 1.00 0.00 C ATOM 576 CG TRP A 38 14.035 0.074 -2.694 1.00 0.00 C ATOM 577 CD1 TRP A 38 15.360 -0.221 -2.841 1.00 0.00 C ATOM 578 CD2 TRP A 38 13.315 -0.951 -3.388 1.00 0.00 C ATOM 579 NE1 TRP A 38 15.507 -1.368 -3.584 1.00 0.00 N ATOM 580 CE2 TRP A 38 14.267 -1.835 -3.931 1.00 0.00 C ATOM 581 CE3 TRP A 38 11.958 -1.209 -3.601 1.00 0.00 C ATOM 582 CZ2 TRP A 38 13.904 -2.955 -4.673 1.00 0.00 C ATOM 583 CZ3 TRP A 38 11.599 -2.321 -4.339 1.00 0.00 C ATOM 584 CH2 TRP A 38 12.569 -3.183 -4.867 1.00 0.00 C ATOM 0 HA TRP A 38 12.331 2.148 -3.550 1.00 0.00 H new ATOM 0 HB2 TRP A 38 14.149 1.558 -1.183 1.00 0.00 H new ATOM 0 HB3 TRP A 38 12.539 0.919 -1.450 1.00 0.00 H new ATOM 0 HD1 TRP A 38 16.173 0.361 -2.433 1.00 0.00 H new ATOM 0 HE1 TRP A 38 16.395 -1.801 -3.836 1.00 0.00 H new ATOM 0 HE3 TRP A 38 11.203 -0.551 -3.196 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 14.650 -3.621 -5.081 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 10.553 -2.529 -4.512 1.00 0.00 H new ATOM 0 HH2 TRP A 38 12.257 -4.045 -5.438 1.00 0.00 H new ATOM 595 N LYS A 39 11.519 4.191 -2.423 1.00 0.00 N ATOM 596 CA LYS A 39 10.947 5.325 -1.706 1.00 0.00 C ATOM 597 C LYS A 39 9.870 4.864 -0.729 1.00 0.00 C ATOM 598 O LYS A 39 9.010 4.053 -1.073 1.00 0.00 O ATOM 599 CB LYS A 39 10.356 6.333 -2.694 1.00 0.00 C ATOM 600 CG LYS A 39 11.400 7.195 -3.382 1.00 0.00 C ATOM 601 CD LYS A 39 11.992 8.220 -2.429 1.00 0.00 C ATOM 602 CE LYS A 39 13.412 8.596 -2.827 1.00 0.00 C ATOM 603 NZ LYS A 39 14.206 9.075 -1.662 1.00 0.00 N ATOM 0 H LYS A 39 10.987 3.899 -3.243 1.00 0.00 H new ATOM 0 HA LYS A 39 11.745 5.805 -1.140 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.785 5.795 -3.451 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.655 6.979 -2.165 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.195 6.561 -3.776 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.949 7.706 -4.233 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.367 9.113 -2.419 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.991 7.819 -1.415 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.905 7.732 -3.272 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.381 9.374 -3.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 15.167 9.321 -1.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.749 9.915 -1.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 14.257 8.324 -0.944 1.00 0.00 H new ATOM 617 N LYS A 40 9.922 5.387 0.492 1.00 0.00 N ATOM 618 CA LYS A 40 8.950 5.031 1.519 1.00 0.00 C ATOM 619 C LYS A 40 7.626 5.752 1.287 1.00 0.00 C ATOM 620 O LYS A 40 7.603 6.942 0.971 1.00 0.00 O ATOM 621 CB LYS A 40 9.495 5.377 2.907 1.00 0.00 C ATOM 622 CG LYS A 40 8.967 4.475 4.009 1.00 0.00 C ATOM 623 CD LYS A 40 9.616 4.791 5.346 1.00 0.00 C ATOM 624 CE LYS A 40 8.710 4.412 6.508 1.00 0.00 C ATOM 625 NZ LYS A 40 8.922 3.003 6.940 1.00 0.00 N ATOM 0 H LYS A 40 10.627 6.059 0.794 1.00 0.00 H new ATOM 0 HA LYS A 40 8.774 3.957 1.462 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.583 5.314 2.887 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.240 6.411 3.141 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.887 4.593 4.091 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.155 3.433 3.749 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.561 4.254 5.429 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.849 5.855 5.396 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.897 5.081 7.348 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.669 4.550 6.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.286 2.784 7.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.719 2.362 6.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.909 2.877 7.242 1.00 0.00 H new ATOM 639 N ARG A 41 6.526 5.024 1.448 1.00 0.00 N ATOM 640 CA ARG A 41 5.198 5.594 1.256 1.00 0.00 C ATOM 641 C ARG A 41 4.140 4.764 1.978 1.00 0.00 C ATOM 642 O ARG A 41 4.307 3.560 2.170 1.00 0.00 O ATOM 643 CB ARG A 41 4.865 5.678 -0.235 1.00 0.00 C ATOM 644 CG ARG A 41 3.734 6.642 -0.553 1.00 0.00 C ATOM 645 CD ARG A 41 4.257 8.045 -0.820 1.00 0.00 C ATOM 646 NE ARG A 41 4.545 8.766 0.417 1.00 0.00 N ATOM 647 CZ ARG A 41 5.303 9.856 0.473 1.00 0.00 C ATOM 648 NH1 ARG A 41 5.845 10.347 -0.632 1.00 0.00 N ATOM 649 NH2 ARG A 41 5.518 10.456 1.637 1.00 0.00 N ATOM 0 H ARG A 41 6.528 4.038 1.711 1.00 0.00 H new ATOM 0 HA ARG A 41 5.198 6.599 1.678 1.00 0.00 H new ATOM 0 HB2 ARG A 41 5.757 5.985 -0.781 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.597 4.685 -0.595 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.184 6.285 -1.424 1.00 0.00 H new ATOM 0 HG3 ARG A 41 3.031 6.667 0.279 1.00 0.00 H new ATOM 0 HD2 ARG A 41 5.162 7.986 -1.424 1.00 0.00 H new ATOM 0 HD3 ARG A 41 3.522 8.602 -1.401 1.00 0.00 H new ATOM 0 HE ARG A 41 4.142 8.414 1.285 1.00 0.00 H new ATOM 0 HH11 ARG A 41 5.681 9.888 -1.528 1.00 0.00 H new ATOM 0 HH12 ARG A 41 6.426 11.184 -0.587 1.00 0.00 H new ATOM 0 HH21 ARG A 41 5.101 10.080 2.489 1.00 0.00 H new ATOM 0 HH22 ARG A 41 6.100 11.293 1.680 1.00 0.00 H new ATOM 663 N TRP A 42 3.054 5.417 2.377 1.00 0.00 N ATOM 664 CA TRP A 42 1.970 4.739 3.078 1.00 0.00 C ATOM 665 C TRP A 42 1.112 3.935 2.107 1.00 0.00 C ATOM 666 O TRP A 42 0.498 4.494 1.198 1.00 0.00 O ATOM 667 CB TRP A 42 1.103 5.755 3.823 1.00 0.00 C ATOM 668 CG TRP A 42 0.124 5.123 4.765 1.00 0.00 C ATOM 669 CD1 TRP A 42 -1.229 5.308 4.787 1.00 0.00 C ATOM 670 CD2 TRP A 42 0.422 4.206 5.823 1.00 0.00 C ATOM 671 NE1 TRP A 42 -1.790 4.561 5.794 1.00 0.00 N ATOM 672 CE2 TRP A 42 -0.799 3.875 6.444 1.00 0.00 C ATOM 673 CE3 TRP A 42 1.600 3.629 6.305 1.00 0.00 C ATOM 674 CZ2 TRP A 42 -0.872 2.996 7.522 1.00 0.00 C ATOM 675 CZ3 TRP A 42 1.526 2.757 7.374 1.00 0.00 C ATOM 676 CH2 TRP A 42 0.298 2.447 7.973 1.00 0.00 C ATOM 0 H TRP A 42 2.901 6.414 2.227 1.00 0.00 H new ATOM 0 HA TRP A 42 2.411 4.051 3.799 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.749 6.432 4.382 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.559 6.360 3.097 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.777 5.948 4.112 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.784 4.523 6.021 1.00 0.00 H new ATOM 0 HE3 TRP A 42 2.552 3.861 5.850 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -1.818 2.756 7.985 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 2.431 2.306 7.755 1.00 0.00 H new ATOM 0 HH2 TRP A 42 0.274 1.761 8.807 1.00 0.00 H new ATOM 687 N PHE A 43 1.073 2.622 2.306 1.00 0.00 N ATOM 688 CA PHE A 43 0.290 1.742 1.447 1.00 0.00 C ATOM 689 C PHE A 43 -0.857 1.102 2.224 1.00 0.00 C ATOM 690 O PHE A 43 -0.807 0.994 3.449 1.00 0.00 O ATOM 691 CB PHE A 43 1.183 0.654 0.846 1.00 0.00 C ATOM 692 CG PHE A 43 1.970 1.117 -0.347 1.00 0.00 C ATOM 693 CD1 PHE A 43 3.194 1.745 -0.185 1.00 0.00 C ATOM 694 CD2 PHE A 43 1.486 0.923 -1.631 1.00 0.00 C ATOM 695 CE1 PHE A 43 3.921 2.171 -1.280 1.00 0.00 C ATOM 696 CE2 PHE A 43 2.209 1.347 -2.730 1.00 0.00 C ATOM 697 CZ PHE A 43 3.427 1.973 -2.554 1.00 0.00 C ATOM 0 H PHE A 43 1.574 2.144 3.055 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.131 2.343 0.641 1.00 0.00 H new ATOM 0 HB2 PHE A 43 1.873 0.298 1.611 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.563 -0.194 0.556 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.585 1.904 0.809 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.533 0.435 -1.774 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.875 2.658 -1.140 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.822 1.189 -3.726 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.992 2.307 -3.411 1.00 0.00 H new ATOM 707 N VAL A 44 -1.890 0.680 1.503 1.00 0.00 N ATOM 708 CA VAL A 44 -3.050 0.050 2.123 1.00 0.00 C ATOM 709 C VAL A 44 -3.674 -0.987 1.196 1.00 0.00 C ATOM 710 O VAL A 44 -3.924 -0.714 0.021 1.00 0.00 O ATOM 711 CB VAL A 44 -4.118 1.092 2.503 1.00 0.00 C ATOM 712 CG1 VAL A 44 -5.406 0.405 2.931 1.00 0.00 C ATOM 713 CG2 VAL A 44 -3.601 2.007 3.603 1.00 0.00 C ATOM 0 H VAL A 44 -1.948 0.763 0.488 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.696 -0.443 3.028 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.334 1.702 1.626 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.149 1.157 3.196 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.783 -0.205 2.110 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.210 -0.231 3.794 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.368 2.737 3.859 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.356 1.414 4.484 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.708 2.526 3.255 1.00 0.00 H new ATOM 723 N LEU A 45 -3.924 -2.176 1.731 1.00 0.00 N ATOM 724 CA LEU A 45 -4.521 -3.256 0.951 1.00 0.00 C ATOM 725 C LEU A 45 -5.991 -3.441 1.313 1.00 0.00 C ATOM 726 O LEU A 45 -6.317 -4.012 2.354 1.00 0.00 O ATOM 727 CB LEU A 45 -3.758 -4.561 1.184 1.00 0.00 C ATOM 728 CG LEU A 45 -3.772 -5.562 0.028 1.00 0.00 C ATOM 729 CD1 LEU A 45 -5.087 -6.325 -0.002 1.00 0.00 C ATOM 730 CD2 LEU A 45 -3.536 -4.850 -1.296 1.00 0.00 C ATOM 0 H LEU A 45 -3.723 -2.418 2.701 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.457 -2.988 -0.104 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.721 -4.316 1.414 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.173 -5.049 2.066 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.964 -6.278 0.182 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.078 -7.032 -0.831 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.215 -6.866 0.935 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.912 -5.624 -0.132 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.549 -5.577 -2.108 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.322 -4.112 -1.457 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.568 -4.350 -1.273 1.00 0.00 H new ATOM 742 N SER A 46 -6.874 -2.955 0.447 1.00 0.00 N ATOM 743 CA SER A 46 -8.310 -3.066 0.676 1.00 0.00 C ATOM 744 C SER A 46 -9.064 -3.171 -0.646 1.00 0.00 C ATOM 745 O SER A 46 -8.650 -2.603 -1.657 1.00 0.00 O ATOM 746 CB SER A 46 -8.815 -1.860 1.470 1.00 0.00 C ATOM 747 OG SER A 46 -10.162 -2.042 1.872 1.00 0.00 O ATOM 0 H SER A 46 -6.621 -2.481 -0.420 1.00 0.00 H new ATOM 0 HA SER A 46 -8.493 -3.973 1.251 1.00 0.00 H new ATOM 0 HB2 SER A 46 -8.187 -1.710 2.348 1.00 0.00 H new ATOM 0 HB3 SER A 46 -8.732 -0.959 0.862 1.00 0.00 H new ATOM 0 HG SER A 46 -10.461 -1.258 2.379 1.00 0.00 H new ATOM 753 N ASP A 47 -10.174 -3.900 -0.630 1.00 0.00 N ATOM 754 CA ASP A 47 -10.989 -4.080 -1.826 1.00 0.00 C ATOM 755 C ASP A 47 -10.169 -4.698 -2.954 1.00 0.00 C ATOM 756 O ASP A 47 -10.395 -4.411 -4.130 1.00 0.00 O ATOM 757 CB ASP A 47 -11.572 -2.740 -2.278 1.00 0.00 C ATOM 758 CG ASP A 47 -12.883 -2.900 -3.022 1.00 0.00 C ATOM 759 OD1 ASP A 47 -13.715 -3.722 -2.586 1.00 0.00 O ATOM 760 OD2 ASP A 47 -13.075 -2.205 -4.042 1.00 0.00 O ATOM 0 H ASP A 47 -10.531 -4.376 0.198 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.806 -4.759 -1.581 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.727 -2.103 -1.408 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.853 -2.232 -2.921 1.00 0.00 H new ATOM 765 N LEU A 48 -9.216 -5.548 -2.588 1.00 0.00 N ATOM 766 CA LEU A 48 -8.360 -6.207 -3.569 1.00 0.00 C ATOM 767 C LEU A 48 -7.674 -5.184 -4.468 1.00 0.00 C ATOM 768 O LEU A 48 -7.443 -5.438 -5.651 1.00 0.00 O ATOM 769 CB LEU A 48 -9.180 -7.180 -4.417 1.00 0.00 C ATOM 770 CG LEU A 48 -10.144 -8.089 -3.654 1.00 0.00 C ATOM 771 CD1 LEU A 48 -11.218 -8.631 -4.585 1.00 0.00 C ATOM 772 CD2 LEU A 48 -9.388 -9.229 -2.988 1.00 0.00 C ATOM 0 H LEU A 48 -9.016 -5.797 -1.619 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.592 -6.762 -3.030 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.754 -6.603 -5.143 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.491 -7.808 -4.982 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.630 -7.499 -2.877 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -11.894 -9.276 -4.024 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -11.780 -7.801 -5.014 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -10.750 -9.205 -5.385 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -10.090 -9.866 -2.450 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.874 -9.817 -3.748 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.658 -8.822 -2.289 1.00 0.00 H new ATOM 784 N CYS A 49 -7.350 -4.028 -3.900 1.00 0.00 N ATOM 785 CA CYS A 49 -6.689 -2.966 -4.650 1.00 0.00 C ATOM 786 C CYS A 49 -5.656 -2.251 -3.785 1.00 0.00 C ATOM 787 O CYS A 49 -5.782 -2.202 -2.561 1.00 0.00 O ATOM 788 CB CYS A 49 -7.719 -1.962 -5.169 1.00 0.00 C ATOM 789 SG CYS A 49 -7.151 -0.984 -6.580 1.00 0.00 S ATOM 0 H CYS A 49 -7.534 -3.802 -2.923 1.00 0.00 H new ATOM 0 HA CYS A 49 -6.175 -3.420 -5.498 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.623 -2.500 -5.454 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -7.992 -1.286 -4.359 1.00 0.00 H new ATOM 0 HG CYS A 49 -5.889 -1.215 -6.788 1.00 0.00 H new ATOM 795 N LEU A 50 -4.633 -1.700 -4.429 1.00 0.00 N ATOM 796 CA LEU A 50 -3.575 -0.989 -3.718 1.00 0.00 C ATOM 797 C LEU A 50 -3.858 0.510 -3.680 1.00 0.00 C ATOM 798 O LEU A 50 -4.139 1.126 -4.708 1.00 0.00 O ATOM 799 CB LEU A 50 -2.223 -1.248 -4.384 1.00 0.00 C ATOM 800 CG LEU A 50 -1.454 -2.473 -3.889 1.00 0.00 C ATOM 801 CD1 LEU A 50 -0.232 -2.724 -4.759 1.00 0.00 C ATOM 802 CD2 LEU A 50 -1.048 -2.295 -2.433 1.00 0.00 C ATOM 0 H LEU A 50 -4.513 -1.732 -5.441 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.545 -1.361 -2.694 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.384 -1.354 -5.457 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.596 -0.368 -4.241 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.108 -3.342 -3.959 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.303 -3.600 -4.391 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.547 -2.897 -5.788 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.426 -1.855 -4.722 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.502 -3.176 -2.097 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.411 -1.415 -2.338 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.940 -2.166 -1.820 1.00 0.00 H new ATOM 814 N PHE A 51 -3.779 1.091 -2.487 1.00 0.00 N ATOM 815 CA PHE A 51 -4.025 2.518 -2.314 1.00 0.00 C ATOM 816 C PHE A 51 -2.916 3.165 -1.489 1.00 0.00 C ATOM 817 O PHE A 51 -2.623 2.731 -0.375 1.00 0.00 O ATOM 818 CB PHE A 51 -5.379 2.745 -1.638 1.00 0.00 C ATOM 819 CG PHE A 51 -6.549 2.352 -2.493 1.00 0.00 C ATOM 820 CD1 PHE A 51 -6.850 3.058 -3.646 1.00 0.00 C ATOM 821 CD2 PHE A 51 -7.349 1.276 -2.143 1.00 0.00 C ATOM 822 CE1 PHE A 51 -7.927 2.699 -4.435 1.00 0.00 C ATOM 823 CE2 PHE A 51 -8.427 0.912 -2.928 1.00 0.00 C ATOM 824 CZ PHE A 51 -8.717 1.625 -4.075 1.00 0.00 C ATOM 0 H PHE A 51 -3.547 0.596 -1.626 1.00 0.00 H new ATOM 0 HA PHE A 51 -4.037 2.982 -3.300 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.412 2.177 -0.708 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.471 3.798 -1.372 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.236 3.899 -3.932 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.128 0.715 -1.247 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -8.150 3.258 -5.332 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -9.042 0.071 -2.645 1.00 0.00 H new ATOM 0 HZ PHE A 51 -9.560 1.343 -4.689 1.00 0.00 H new ATOM 834 N TYR A 52 -2.304 4.204 -2.045 1.00 0.00 N ATOM 835 CA TYR A 52 -1.225 4.910 -1.363 1.00 0.00 C ATOM 836 C TYR A 52 -1.523 6.403 -1.272 1.00 0.00 C ATOM 837 O TYR A 52 -2.222 6.961 -2.119 1.00 0.00 O ATOM 838 CB TYR A 52 0.100 4.686 -2.092 1.00 0.00 C ATOM 839 CG TYR A 52 0.052 5.046 -3.560 1.00 0.00 C ATOM 840 CD1 TYR A 52 0.022 6.374 -3.969 1.00 0.00 C ATOM 841 CD2 TYR A 52 0.034 4.059 -4.538 1.00 0.00 C ATOM 842 CE1 TYR A 52 -0.023 6.708 -5.309 1.00 0.00 C ATOM 843 CE2 TYR A 52 -0.009 4.384 -5.880 1.00 0.00 C ATOM 844 CZ TYR A 52 -0.038 5.709 -6.260 1.00 0.00 C ATOM 845 OH TYR A 52 -0.083 6.037 -7.596 1.00 0.00 O ATOM 0 H TYR A 52 -2.536 4.576 -2.966 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.147 4.512 -0.351 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.876 5.277 -1.607 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.387 3.639 -1.992 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.034 7.158 -3.227 1.00 0.00 H new ATOM 0 HD2 TYR A 52 0.054 3.020 -4.244 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -0.046 7.745 -5.610 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.020 3.604 -6.627 1.00 0.00 H new ATOM 0 HH TYR A 52 -0.087 5.218 -8.134 1.00 0.00 H new ATOM 855 N TYR A 53 -0.987 7.045 -0.240 1.00 0.00 N ATOM 856 CA TYR A 53 -1.196 8.473 -0.036 1.00 0.00 C ATOM 857 C TYR A 53 0.119 9.176 0.286 1.00 0.00 C ATOM 858 O TYR A 53 1.186 8.563 0.257 1.00 0.00 O ATOM 859 CB TYR A 53 -2.202 8.707 1.093 1.00 0.00 C ATOM 860 CG TYR A 53 -3.229 7.606 1.226 1.00 0.00 C ATOM 861 CD1 TYR A 53 -2.851 6.313 1.563 1.00 0.00 C ATOM 862 CD2 TYR A 53 -4.579 7.860 1.015 1.00 0.00 C ATOM 863 CE1 TYR A 53 -3.786 5.303 1.685 1.00 0.00 C ATOM 864 CE2 TYR A 53 -5.522 6.857 1.137 1.00 0.00 C ATOM 865 CZ TYR A 53 -5.120 5.580 1.471 1.00 0.00 C ATOM 866 OH TYR A 53 -6.055 4.578 1.593 1.00 0.00 O ATOM 0 H TYR A 53 -0.404 6.599 0.468 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.594 8.891 -0.961 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.662 8.805 2.035 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.716 9.653 0.920 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.807 6.093 1.733 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.897 8.858 0.751 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.474 4.303 1.946 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.568 7.072 0.972 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.948 4.939 1.411 1.00 0.00 H new ATOM 876 N ARG A 54 0.034 10.466 0.594 1.00 0.00 N ATOM 877 CA ARG A 54 1.216 11.253 0.921 1.00 0.00 C ATOM 878 C ARG A 54 1.857 10.760 2.215 1.00 0.00 C ATOM 879 O ARG A 54 3.076 10.612 2.299 1.00 0.00 O ATOM 880 CB ARG A 54 0.850 12.733 1.052 1.00 0.00 C ATOM 881 CG ARG A 54 0.699 13.443 -0.283 1.00 0.00 C ATOM 882 CD ARG A 54 0.834 14.950 -0.130 1.00 0.00 C ATOM 883 NE ARG A 54 1.083 15.610 -1.409 1.00 0.00 N ATOM 884 CZ ARG A 54 1.629 16.815 -1.521 1.00 0.00 C ATOM 885 NH1 ARG A 54 1.983 17.489 -0.435 1.00 0.00 N ATOM 886 NH2 ARG A 54 1.823 17.349 -2.720 1.00 0.00 N ATOM 0 H ARG A 54 -0.842 10.988 0.624 1.00 0.00 H new ATOM 0 HA ARG A 54 1.936 11.134 0.111 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.084 12.820 1.608 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.618 13.238 1.638 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.455 13.078 -0.978 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.273 13.206 -0.715 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.076 15.352 0.314 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.650 15.173 0.558 1.00 0.00 H new ATOM 0 HE ARG A 54 0.823 15.118 -2.264 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.836 17.082 0.489 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.402 18.415 -0.523 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.553 16.834 -3.558 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.243 18.275 -2.804 1.00 0.00 H new ATOM 900 N ASP A 55 1.026 10.508 3.221 1.00 0.00 N ATOM 901 CA ASP A 55 1.511 10.032 4.512 1.00 0.00 C ATOM 902 C ASP A 55 0.473 9.139 5.186 1.00 0.00 C ATOM 903 O ASP A 55 -0.588 8.872 4.623 1.00 0.00 O ATOM 904 CB ASP A 55 1.853 11.213 5.420 1.00 0.00 C ATOM 905 CG ASP A 55 2.951 12.086 4.846 1.00 0.00 C ATOM 906 OD1 ASP A 55 2.662 12.866 3.915 1.00 0.00 O ATOM 907 OD2 ASP A 55 4.100 11.989 5.327 1.00 0.00 O ATOM 0 H ASP A 55 0.014 10.625 3.168 1.00 0.00 H new ATOM 0 HA ASP A 55 2.413 9.445 4.340 1.00 0.00 H new ATOM 0 HB2 ASP A 55 0.959 11.816 5.579 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.163 10.839 6.396 1.00 0.00 H new ATOM 912 N GLU A 56 0.789 8.681 6.393 1.00 0.00 N ATOM 913 CA GLU A 56 -0.116 7.817 7.142 1.00 0.00 C ATOM 914 C GLU A 56 -1.444 8.521 7.408 1.00 0.00 C ATOM 915 O GLU A 56 -2.419 7.895 7.826 1.00 0.00 O ATOM 916 CB GLU A 56 0.525 7.396 8.466 1.00 0.00 C ATOM 917 CG GLU A 56 0.603 8.517 9.488 1.00 0.00 C ATOM 918 CD GLU A 56 0.712 8.003 10.911 1.00 0.00 C ATOM 919 OE1 GLU A 56 1.834 7.648 11.329 1.00 0.00 O ATOM 920 OE2 GLU A 56 -0.324 7.954 11.606 1.00 0.00 O ATOM 0 H GLU A 56 1.664 8.893 6.873 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.310 6.928 6.542 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.045 6.569 8.889 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.530 7.023 8.271 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.465 9.147 9.266 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.283 9.146 9.400 1.00 0.00 H new ATOM 927 N LYS A 57 -1.474 9.826 7.165 1.00 0.00 N ATOM 928 CA LYS A 57 -2.681 10.617 7.377 1.00 0.00 C ATOM 929 C LYS A 57 -3.735 10.294 6.323 1.00 0.00 C ATOM 930 O LYS A 57 -4.909 10.624 6.486 1.00 0.00 O ATOM 931 CB LYS A 57 -2.350 12.111 7.340 1.00 0.00 C ATOM 932 CG LYS A 57 -1.559 12.588 8.547 1.00 0.00 C ATOM 933 CD LYS A 57 -1.847 14.047 8.860 1.00 0.00 C ATOM 934 CE LYS A 57 -0.862 14.603 9.876 1.00 0.00 C ATOM 935 NZ LYS A 57 -1.154 16.024 10.212 1.00 0.00 N ATOM 0 H LYS A 57 -0.676 10.360 6.821 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.083 10.364 8.358 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.782 12.327 6.435 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.278 12.679 7.276 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.807 11.973 9.412 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.493 12.459 8.359 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.796 14.634 7.943 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.862 14.144 9.245 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.898 14.001 10.784 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.151 14.524 9.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.460 16.366 10.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.095 16.604 9.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.111 16.096 10.613 1.00 0.00 H new ATOM 949 N GLU A 58 -3.308 9.645 5.244 1.00 0.00 N ATOM 950 CA GLU A 58 -4.217 9.277 4.165 1.00 0.00 C ATOM 951 C GLU A 58 -5.300 10.336 3.981 1.00 0.00 C ATOM 952 O GLU A 58 -6.489 10.022 3.946 1.00 0.00 O ATOM 953 CB GLU A 58 -4.861 7.918 4.451 1.00 0.00 C ATOM 954 CG GLU A 58 -5.044 7.632 5.932 1.00 0.00 C ATOM 955 CD GLU A 58 -6.239 8.354 6.523 1.00 0.00 C ATOM 956 OE1 GLU A 58 -7.243 8.528 5.800 1.00 0.00 O ATOM 957 OE2 GLU A 58 -6.171 8.746 7.706 1.00 0.00 O ATOM 0 H GLU A 58 -2.339 9.364 5.094 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.638 9.210 3.244 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.832 7.875 3.958 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -4.245 7.134 4.011 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.164 6.559 6.079 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.143 7.928 6.469 1.00 0.00 H new ATOM 964 N GLU A 59 -4.878 11.591 3.864 1.00 0.00 N ATOM 965 CA GLU A 59 -5.811 12.697 3.685 1.00 0.00 C ATOM 966 C GLU A 59 -6.081 12.947 2.204 1.00 0.00 C ATOM 967 O GLU A 59 -6.428 14.057 1.803 1.00 0.00 O ATOM 968 CB GLU A 59 -5.262 13.968 4.336 1.00 0.00 C ATOM 969 CG GLU A 59 -5.595 14.087 5.814 1.00 0.00 C ATOM 970 CD GLU A 59 -5.723 15.528 6.268 1.00 0.00 C ATOM 971 OE1 GLU A 59 -4.679 16.193 6.436 1.00 0.00 O ATOM 972 OE2 GLU A 59 -6.868 15.991 6.456 1.00 0.00 O ATOM 0 H GLU A 59 -3.896 11.867 3.890 1.00 0.00 H new ATOM 0 HA GLU A 59 -6.750 12.427 4.168 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.179 13.991 4.213 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.661 14.836 3.811 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.529 13.562 6.016 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.819 13.593 6.399 1.00 0.00 H new ATOM 979 N GLY A 60 -5.918 11.904 1.394 1.00 0.00 N ATOM 980 CA GLY A 60 -6.147 12.031 -0.033 1.00 0.00 C ATOM 981 C GLY A 60 -5.224 11.148 -0.849 1.00 0.00 C ATOM 982 O GLY A 60 -4.006 11.330 -0.832 1.00 0.00 O ATOM 0 H GLY A 60 -5.632 10.974 1.701 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.182 11.773 -0.256 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.006 13.070 -0.329 1.00 0.00 H new ATOM 986 N ILE A 61 -5.803 10.188 -1.563 1.00 0.00 N ATOM 987 CA ILE A 61 -5.023 9.274 -2.387 1.00 0.00 C ATOM 988 C ILE A 61 -4.389 10.003 -3.567 1.00 0.00 C ATOM 989 O ILE A 61 -5.019 10.854 -4.197 1.00 0.00 O ATOM 990 CB ILE A 61 -5.890 8.117 -2.919 1.00 0.00 C ATOM 991 CG1 ILE A 61 -6.375 7.241 -1.762 1.00 0.00 C ATOM 992 CG2 ILE A 61 -5.106 7.287 -3.925 1.00 0.00 C ATOM 993 CD1 ILE A 61 -7.459 6.263 -2.157 1.00 0.00 C ATOM 0 H ILE A 61 -6.809 10.024 -1.587 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.238 8.866 -1.750 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.761 8.537 -3.423 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.528 6.688 -1.356 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.749 7.882 -0.964 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.732 6.473 -4.292 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.804 7.918 -4.761 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.219 6.874 -3.444 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.754 5.676 -1.287 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.323 6.810 -2.535 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.083 5.597 -2.934 1.00 0.00 H new ATOM 1005 N LEU A 62 -3.139 9.662 -3.863 1.00 0.00 N ATOM 1006 CA LEU A 62 -2.419 10.283 -4.970 1.00 0.00 C ATOM 1007 C LEU A 62 -2.533 9.439 -6.235 1.00 0.00 C ATOM 1008 O LEU A 62 -2.406 9.949 -7.347 1.00 0.00 O ATOM 1009 CB LEU A 62 -0.947 10.474 -4.602 1.00 0.00 C ATOM 1010 CG LEU A 62 -0.654 10.750 -3.127 1.00 0.00 C ATOM 1011 CD1 LEU A 62 0.814 11.099 -2.930 1.00 0.00 C ATOM 1012 CD2 LEU A 62 -1.544 11.870 -2.607 1.00 0.00 C ATOM 0 H LEU A 62 -2.604 8.960 -3.353 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.869 11.257 -5.164 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.400 9.579 -4.899 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.550 11.301 -5.191 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.871 9.846 -2.558 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.004 11.292 -1.874 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.434 10.267 -3.264 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.058 11.988 -3.511 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.322 12.053 -1.556 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.358 12.778 -3.180 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.590 11.582 -2.712 1.00 0.00 H new ATOM 1024 N GLY A 63 -2.777 8.144 -6.057 1.00 0.00 N ATOM 1025 CA GLY A 63 -2.907 7.250 -7.193 1.00 0.00 C ATOM 1026 C GLY A 63 -3.221 5.826 -6.778 1.00 0.00 C ATOM 1027 O GLY A 63 -2.575 5.276 -5.886 1.00 0.00 O ATOM 0 H GLY A 63 -2.887 7.698 -5.146 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.696 7.616 -7.851 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.981 7.262 -7.768 1.00 0.00 H new ATOM 1031 N SER A 64 -4.217 5.229 -7.424 1.00 0.00 N ATOM 1032 CA SER A 64 -4.619 3.863 -7.114 1.00 0.00 C ATOM 1033 C SER A 64 -3.958 2.871 -8.066 1.00 0.00 C ATOM 1034 O SER A 64 -3.710 3.184 -9.231 1.00 0.00 O ATOM 1035 CB SER A 64 -6.141 3.726 -7.194 1.00 0.00 C ATOM 1036 OG SER A 64 -6.651 4.373 -8.346 1.00 0.00 O ATOM 0 H SER A 64 -4.761 5.670 -8.166 1.00 0.00 H new ATOM 0 HA SER A 64 -4.293 3.637 -6.099 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.414 2.671 -7.215 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.595 4.155 -6.301 1.00 0.00 H new ATOM 0 HG SER A 64 -7.625 4.270 -8.375 1.00 0.00 H new ATOM 1042 N ILE A 65 -3.675 1.675 -7.562 1.00 0.00 N ATOM 1043 CA ILE A 65 -3.043 0.637 -8.367 1.00 0.00 C ATOM 1044 C ILE A 65 -3.881 -0.636 -8.378 1.00 0.00 C ATOM 1045 O ILE A 65 -4.208 -1.188 -7.326 1.00 0.00 O ATOM 1046 CB ILE A 65 -1.631 0.304 -7.849 1.00 0.00 C ATOM 1047 CG1 ILE A 65 -0.643 1.398 -8.259 1.00 0.00 C ATOM 1048 CG2 ILE A 65 -1.179 -1.050 -8.376 1.00 0.00 C ATOM 1049 CD1 ILE A 65 0.655 1.362 -7.483 1.00 0.00 C ATOM 0 H ILE A 65 -3.873 1.401 -6.600 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.966 1.028 -9.382 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.661 0.257 -6.760 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.424 1.299 -9.322 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.113 2.372 -8.120 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.180 -1.271 -8.001 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.872 -1.821 -8.039 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.161 -1.029 -9.466 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.307 2.165 -7.826 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.448 1.492 -6.421 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.147 0.403 -7.642 1.00 0.00 H new ATOM 1061 N LEU A 66 -4.226 -1.100 -9.574 1.00 0.00 N ATOM 1062 CA LEU A 66 -5.025 -2.311 -9.724 1.00 0.00 C ATOM 1063 C LEU A 66 -4.146 -3.556 -9.661 1.00 0.00 C ATOM 1064 O LEU A 66 -3.378 -3.834 -10.584 1.00 0.00 O ATOM 1065 CB LEU A 66 -5.791 -2.280 -11.048 1.00 0.00 C ATOM 1066 CG LEU A 66 -7.177 -1.635 -11.007 1.00 0.00 C ATOM 1067 CD1 LEU A 66 -8.073 -2.358 -10.013 1.00 0.00 C ATOM 1068 CD2 LEU A 66 -7.067 -0.159 -10.654 1.00 0.00 C ATOM 0 H LEU A 66 -3.965 -0.656 -10.454 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.737 -2.350 -8.900 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.186 -1.748 -11.782 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.899 -3.304 -11.406 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.626 -1.719 -11.997 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.055 -1.885 -9.997 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.177 -3.402 -10.310 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.629 -2.306 -9.019 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.062 0.284 -10.629 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.598 -0.053 -9.676 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.462 0.350 -11.404 1.00 0.00 H new ATOM 1080 N LEU A 67 -4.263 -4.303 -8.569 1.00 0.00 N ATOM 1081 CA LEU A 67 -3.480 -5.520 -8.386 1.00 0.00 C ATOM 1082 C LEU A 67 -3.891 -6.588 -9.395 1.00 0.00 C ATOM 1083 O LEU A 67 -3.055 -7.258 -10.001 1.00 0.00 O ATOM 1084 CB LEU A 67 -3.653 -6.053 -6.963 1.00 0.00 C ATOM 1085 CG LEU A 67 -2.642 -5.552 -5.931 1.00 0.00 C ATOM 1086 CD1 LEU A 67 -2.947 -6.132 -4.559 1.00 0.00 C ATOM 1087 CD2 LEU A 67 -1.225 -5.907 -6.359 1.00 0.00 C ATOM 0 H LEU A 67 -4.893 -4.087 -7.796 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.431 -5.275 -8.550 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.654 -5.792 -6.618 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.600 -7.141 -6.995 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.722 -4.467 -5.869 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.217 -5.764 -3.838 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.947 -5.828 -4.250 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.896 -7.220 -4.604 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.518 -5.543 -5.614 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.133 -6.989 -6.449 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.009 -5.443 -7.321 1.00 0.00 H new ATOM 1099 N PRO A 68 -5.209 -6.750 -9.582 1.00 0.00 N ATOM 1100 CA PRO A 68 -5.761 -7.733 -10.518 1.00 0.00 C ATOM 1101 C PRO A 68 -5.085 -7.676 -11.884 1.00 0.00 C ATOM 1102 O PRO A 68 -5.060 -8.665 -12.617 1.00 0.00 O ATOM 1103 CB PRO A 68 -7.232 -7.327 -10.633 1.00 0.00 C ATOM 1104 CG PRO A 68 -7.534 -6.631 -9.351 1.00 0.00 C ATOM 1105 CD PRO A 68 -6.263 -5.986 -8.893 1.00 0.00 C ATOM 0 HA PRO A 68 -5.613 -8.755 -10.169 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.396 -6.671 -11.488 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -7.873 -8.197 -10.772 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -8.316 -5.885 -9.492 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.898 -7.337 -8.605 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -6.232 -4.930 -9.162 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.154 -6.043 -7.810 1.00 0.00 H new ATOM 1113 N SER A 69 -4.536 -6.513 -12.219 1.00 0.00 N ATOM 1114 CA SER A 69 -3.862 -6.326 -13.499 1.00 0.00 C ATOM 1115 C SER A 69 -2.370 -6.619 -13.375 1.00 0.00 C ATOM 1116 O SER A 69 -1.710 -6.965 -14.355 1.00 0.00 O ATOM 1117 CB SER A 69 -4.072 -4.898 -14.006 1.00 0.00 C ATOM 1118 OG SER A 69 -5.367 -4.739 -14.559 1.00 0.00 O ATOM 0 H SER A 69 -4.545 -5.686 -11.622 1.00 0.00 H new ATOM 0 HA SER A 69 -4.294 -7.025 -14.215 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.934 -4.193 -13.186 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.320 -4.662 -14.759 1.00 0.00 H new ATOM 0 HG SER A 69 -5.477 -3.818 -14.874 1.00 0.00 H new ATOM 1124 N PHE A 70 -1.845 -6.479 -12.162 1.00 0.00 N ATOM 1125 CA PHE A 70 -0.431 -6.728 -11.908 1.00 0.00 C ATOM 1126 C PHE A 70 -0.161 -8.221 -11.745 1.00 0.00 C ATOM 1127 O PHE A 70 -1.084 -9.009 -11.539 1.00 0.00 O ATOM 1128 CB PHE A 70 0.024 -5.976 -10.656 1.00 0.00 C ATOM 1129 CG PHE A 70 0.538 -4.593 -10.940 1.00 0.00 C ATOM 1130 CD1 PHE A 70 1.779 -4.408 -11.527 1.00 0.00 C ATOM 1131 CD2 PHE A 70 -0.221 -3.479 -10.620 1.00 0.00 C ATOM 1132 CE1 PHE A 70 2.254 -3.137 -11.789 1.00 0.00 C ATOM 1133 CE2 PHE A 70 0.249 -2.205 -10.880 1.00 0.00 C ATOM 1134 CZ PHE A 70 1.488 -2.034 -11.466 1.00 0.00 C ATOM 0 H PHE A 70 -2.378 -6.195 -11.340 1.00 0.00 H new ATOM 0 HA PHE A 70 0.135 -6.367 -12.766 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.811 -5.908 -9.959 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.806 -6.551 -10.161 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.382 -5.267 -11.783 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -1.191 -3.607 -10.162 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.224 -3.006 -12.246 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -0.352 -1.345 -10.625 1.00 0.00 H new ATOM 0 HZ PHE A 70 1.857 -1.040 -11.671 1.00 0.00 H new ATOM 1144 N GLN A 71 1.109 -8.601 -11.839 1.00 0.00 N ATOM 1145 CA GLN A 71 1.499 -9.999 -11.703 1.00 0.00 C ATOM 1146 C GLN A 71 2.608 -10.156 -10.668 1.00 0.00 C ATOM 1147 O GLN A 71 3.753 -9.770 -10.907 1.00 0.00 O ATOM 1148 CB GLN A 71 1.961 -10.555 -13.051 1.00 0.00 C ATOM 1149 CG GLN A 71 2.975 -11.681 -12.930 1.00 0.00 C ATOM 1150 CD GLN A 71 3.026 -12.556 -14.166 1.00 0.00 C ATOM 1151 OE1 GLN A 71 3.227 -12.068 -15.278 1.00 0.00 O ATOM 1152 NE2 GLN A 71 2.844 -13.858 -13.977 1.00 0.00 N ATOM 0 H GLN A 71 1.885 -7.961 -12.009 1.00 0.00 H new ATOM 0 HA GLN A 71 0.629 -10.562 -11.365 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.093 -10.917 -13.602 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.397 -9.746 -13.638 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.963 -11.257 -12.749 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.728 -12.296 -12.064 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.680 -14.219 -13.037 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.868 -14.497 -14.772 1.00 0.00 H new ATOM 1161 N ILE A 72 2.262 -10.725 -9.518 1.00 0.00 N ATOM 1162 CA ILE A 72 3.229 -10.933 -8.447 1.00 0.00 C ATOM 1163 C ILE A 72 4.074 -12.176 -8.704 1.00 0.00 C ATOM 1164 O ILE A 72 3.588 -13.302 -8.599 1.00 0.00 O ATOM 1165 CB ILE A 72 2.534 -11.072 -7.080 1.00 0.00 C ATOM 1166 CG1 ILE A 72 1.313 -10.152 -7.008 1.00 0.00 C ATOM 1167 CG2 ILE A 72 3.508 -10.756 -5.956 1.00 0.00 C ATOM 1168 CD1 ILE A 72 1.600 -8.732 -7.442 1.00 0.00 C ATOM 0 H ILE A 72 1.319 -11.050 -9.304 1.00 0.00 H new ATOM 0 HA ILE A 72 3.874 -10.055 -8.429 1.00 0.00 H new ATOM 0 HB ILE A 72 2.197 -12.102 -6.964 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.522 -10.562 -7.635 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.936 -10.142 -5.985 1.00 0.00 H new ATOM 0 HG21 ILE A 72 3.002 -10.859 -4.996 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.349 -11.448 -5.998 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.872 -9.735 -6.067 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.690 -8.137 -7.365 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.369 -8.303 -6.799 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.948 -8.731 -8.475 1.00 0.00 H new ATOM 1180 N ALA A 73 5.342 -11.964 -9.040 1.00 0.00 N ATOM 1181 CA ALA A 73 6.256 -13.067 -9.308 1.00 0.00 C ATOM 1182 C ALA A 73 7.653 -12.764 -8.778 1.00 0.00 C ATOM 1183 O ALA A 73 8.165 -11.656 -8.945 1.00 0.00 O ATOM 1184 CB ALA A 73 6.307 -13.360 -10.800 1.00 0.00 C ATOM 0 H ALA A 73 5.760 -11.038 -9.133 1.00 0.00 H new ATOM 0 HA ALA A 73 5.883 -13.950 -8.788 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.994 -14.186 -10.985 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.311 -13.630 -11.152 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.653 -12.474 -11.333 1.00 0.00 H new ATOM 1190 N LEU A 74 8.266 -13.753 -8.137 1.00 0.00 N ATOM 1191 CA LEU A 74 9.605 -13.591 -7.582 1.00 0.00 C ATOM 1192 C LEU A 74 10.556 -12.999 -8.617 1.00 0.00 C ATOM 1193 O LEU A 74 10.383 -13.197 -9.820 1.00 0.00 O ATOM 1194 CB LEU A 74 10.141 -14.938 -7.091 1.00 0.00 C ATOM 1195 CG LEU A 74 9.443 -15.532 -5.867 1.00 0.00 C ATOM 1196 CD1 LEU A 74 10.420 -16.358 -5.045 1.00 0.00 C ATOM 1197 CD2 LEU A 74 8.825 -14.431 -5.018 1.00 0.00 C ATOM 0 H LEU A 74 7.857 -14.676 -7.989 1.00 0.00 H new ATOM 0 HA LEU A 74 9.541 -12.903 -6.739 1.00 0.00 H new ATOM 0 HB2 LEU A 74 10.069 -15.655 -7.909 1.00 0.00 H new ATOM 0 HB3 LEU A 74 11.200 -14.823 -6.860 1.00 0.00 H new ATOM 0 HG LEU A 74 8.644 -16.188 -6.211 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.906 -16.773 -4.178 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.814 -17.170 -5.656 1.00 0.00 H new ATOM 0 HD13 LEU A 74 11.241 -15.724 -4.711 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.333 -14.873 -4.152 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.606 -13.748 -4.683 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.093 -13.882 -5.611 1.00 0.00 H new ATOM 1209 N LEU A 75 11.562 -12.273 -8.141 1.00 0.00 N ATOM 1210 CA LEU A 75 12.543 -11.653 -9.025 1.00 0.00 C ATOM 1211 C LEU A 75 13.354 -12.712 -9.765 1.00 0.00 C ATOM 1212 O LEU A 75 13.215 -13.909 -9.510 1.00 0.00 O ATOM 1213 CB LEU A 75 13.478 -10.745 -8.225 1.00 0.00 C ATOM 1214 CG LEU A 75 12.812 -9.595 -7.469 1.00 0.00 C ATOM 1215 CD1 LEU A 75 13.861 -8.687 -6.847 1.00 0.00 C ATOM 1216 CD2 LEU A 75 11.903 -8.803 -8.398 1.00 0.00 C ATOM 0 H LEU A 75 11.720 -12.099 -7.148 1.00 0.00 H new ATOM 0 HA LEU A 75 12.006 -11.053 -9.760 1.00 0.00 H new ATOM 0 HB2 LEU A 75 14.021 -11.359 -7.507 1.00 0.00 H new ATOM 0 HB3 LEU A 75 14.216 -10.325 -8.908 1.00 0.00 H new ATOM 0 HG LEU A 75 12.204 -10.016 -6.668 1.00 0.00 H new ATOM 0 HD11 LEU A 75 13.368 -7.874 -6.313 1.00 0.00 H new ATOM 0 HD12 LEU A 75 14.472 -9.261 -6.150 1.00 0.00 H new ATOM 0 HD13 LEU A 75 14.496 -8.274 -7.631 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.437 -7.988 -7.844 1.00 0.00 H new ATOM 0 HD22 LEU A 75 12.490 -8.393 -9.220 1.00 0.00 H new ATOM 0 HD23 LEU A 75 11.130 -9.459 -8.797 1.00 0.00 H new ATOM 1377 N TYR A 85 14.256 -10.651 -0.184 1.00 0.00 N ATOM 1378 CA TYR A 85 12.842 -10.573 0.162 1.00 0.00 C ATOM 1379 C TYR A 85 12.149 -9.465 -0.625 1.00 0.00 C ATOM 1380 O TYR A 85 11.494 -8.596 -0.051 1.00 0.00 O ATOM 1381 CB TYR A 85 12.675 -10.327 1.663 1.00 0.00 C ATOM 1382 CG TYR A 85 13.630 -11.130 2.517 1.00 0.00 C ATOM 1383 CD1 TYR A 85 14.901 -10.650 2.810 1.00 0.00 C ATOM 1384 CD2 TYR A 85 13.263 -12.367 3.031 1.00 0.00 C ATOM 1385 CE1 TYR A 85 15.778 -11.380 3.590 1.00 0.00 C ATOM 1386 CE2 TYR A 85 14.132 -13.103 3.812 1.00 0.00 C ATOM 1387 CZ TYR A 85 15.389 -12.605 4.089 1.00 0.00 C ATOM 1388 OH TYR A 85 16.258 -13.336 4.866 1.00 0.00 O ATOM 0 HA TYR A 85 12.378 -11.524 -0.098 1.00 0.00 H new ATOM 0 HB2 TYR A 85 12.822 -9.266 1.868 1.00 0.00 H new ATOM 0 HB3 TYR A 85 11.652 -10.569 1.951 1.00 0.00 H new ATOM 0 HD1 TYR A 85 15.209 -9.690 2.422 1.00 0.00 H new ATOM 0 HD2 TYR A 85 12.280 -12.760 2.816 1.00 0.00 H new ATOM 0 HE1 TYR A 85 16.763 -10.993 3.807 1.00 0.00 H new ATOM 0 HE2 TYR A 85 13.830 -14.063 4.204 1.00 0.00 H new ATOM 0 HH TYR A 85 15.828 -14.174 5.137 1.00 0.00 H new ATOM 1398 N ALA A 86 12.299 -9.504 -1.945 1.00 0.00 N ATOM 1399 CA ALA A 86 11.686 -8.506 -2.813 1.00 0.00 C ATOM 1400 C ALA A 86 10.978 -9.164 -3.992 1.00 0.00 C ATOM 1401 O ALA A 86 11.376 -10.237 -4.449 1.00 0.00 O ATOM 1402 CB ALA A 86 12.736 -7.522 -3.309 1.00 0.00 C ATOM 0 H ALA A 86 12.840 -10.216 -2.436 1.00 0.00 H new ATOM 0 HA ALA A 86 10.940 -7.964 -2.231 1.00 0.00 H new ATOM 0 HB1 ALA A 86 12.265 -6.782 -3.956 1.00 0.00 H new ATOM 0 HB2 ALA A 86 13.195 -7.019 -2.457 1.00 0.00 H new ATOM 0 HB3 ALA A 86 13.502 -8.059 -3.869 1.00 0.00 H new ATOM 1408 N PHE A 87 9.926 -8.517 -4.481 1.00 0.00 N ATOM 1409 CA PHE A 87 9.161 -9.041 -5.607 1.00 0.00 C ATOM 1410 C PHE A 87 8.909 -7.953 -6.647 1.00 0.00 C ATOM 1411 O PHE A 87 9.163 -6.773 -6.403 1.00 0.00 O ATOM 1412 CB PHE A 87 7.828 -9.616 -5.121 1.00 0.00 C ATOM 1413 CG PHE A 87 7.180 -8.798 -4.041 1.00 0.00 C ATOM 1414 CD1 PHE A 87 7.664 -8.832 -2.743 1.00 0.00 C ATOM 1415 CD2 PHE A 87 6.086 -7.996 -4.323 1.00 0.00 C ATOM 1416 CE1 PHE A 87 7.070 -8.080 -1.747 1.00 0.00 C ATOM 1417 CE2 PHE A 87 5.489 -7.241 -3.332 1.00 0.00 C ATOM 1418 CZ PHE A 87 5.981 -7.284 -2.042 1.00 0.00 C ATOM 0 H PHE A 87 9.583 -7.629 -4.115 1.00 0.00 H new ATOM 0 HA PHE A 87 9.744 -9.836 -6.072 1.00 0.00 H new ATOM 0 HB2 PHE A 87 7.145 -9.693 -5.967 1.00 0.00 H new ATOM 0 HB3 PHE A 87 7.992 -10.628 -4.750 1.00 0.00 H new ATOM 0 HD1 PHE A 87 8.515 -9.453 -2.507 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.695 -7.961 -5.329 1.00 0.00 H new ATOM 0 HE1 PHE A 87 7.457 -8.115 -0.739 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.638 -6.618 -3.566 1.00 0.00 H new ATOM 0 HZ PHE A 87 5.515 -6.696 -1.265 1.00 0.00 H new ATOM 1428 N LYS A 88 8.408 -8.359 -7.809 1.00 0.00 N ATOM 1429 CA LYS A 88 8.120 -7.421 -8.887 1.00 0.00 C ATOM 1430 C LYS A 88 6.728 -7.664 -9.463 1.00 0.00 C ATOM 1431 O LYS A 88 6.315 -8.808 -9.650 1.00 0.00 O ATOM 1432 CB LYS A 88 9.170 -7.547 -9.994 1.00 0.00 C ATOM 1433 CG LYS A 88 9.154 -8.893 -10.697 1.00 0.00 C ATOM 1434 CD LYS A 88 9.854 -8.827 -12.044 1.00 0.00 C ATOM 1435 CE LYS A 88 9.468 -10.001 -12.931 1.00 0.00 C ATOM 1436 NZ LYS A 88 10.376 -11.165 -12.735 1.00 0.00 N ATOM 0 H LYS A 88 8.193 -9.332 -8.028 1.00 0.00 H new ATOM 0 HA LYS A 88 8.153 -6.412 -8.475 1.00 0.00 H new ATOM 0 HB2 LYS A 88 9.006 -6.760 -10.730 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.159 -7.382 -9.566 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.642 -9.638 -10.069 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.123 -9.219 -10.837 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.597 -7.893 -12.543 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.934 -8.822 -11.894 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.443 -10.299 -12.713 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.495 -9.691 -13.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.080 -11.944 -13.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 11.351 -10.888 -12.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.332 -11.477 -11.744 1.00 0.00 H new ATOM 1450 N ALA A 89 6.011 -6.580 -9.743 1.00 0.00 N ATOM 1451 CA ALA A 89 4.668 -6.676 -10.300 1.00 0.00 C ATOM 1452 C ALA A 89 4.653 -6.269 -11.770 1.00 0.00 C ATOM 1453 O ALA A 89 5.022 -5.147 -12.116 1.00 0.00 O ATOM 1454 CB ALA A 89 3.702 -5.814 -9.501 1.00 0.00 C ATOM 0 H ALA A 89 6.338 -5.626 -9.593 1.00 0.00 H new ATOM 0 HA ALA A 89 4.348 -7.716 -10.235 1.00 0.00 H new ATOM 0 HB1 ALA A 89 2.703 -5.896 -9.928 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.683 -6.154 -8.465 1.00 0.00 H new ATOM 0 HB3 ALA A 89 4.028 -4.774 -9.536 1.00 0.00 H new ATOM 1460 N ALA A 90 4.225 -7.188 -12.629 1.00 0.00 N ATOM 1461 CA ALA A 90 4.161 -6.923 -14.061 1.00 0.00 C ATOM 1462 C ALA A 90 2.768 -6.457 -14.472 1.00 0.00 C ATOM 1463 O ALA A 90 1.764 -7.066 -14.100 1.00 0.00 O ATOM 1464 CB ALA A 90 4.557 -8.165 -14.846 1.00 0.00 C ATOM 0 H ALA A 90 3.918 -8.122 -12.358 1.00 0.00 H new ATOM 0 HA ALA A 90 4.865 -6.123 -14.289 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.505 -7.953 -15.914 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.575 -8.453 -14.583 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.876 -8.981 -14.605 1.00 0.00 H new ATOM 1470 N HIS A 91 2.714 -5.373 -15.239 1.00 0.00 N ATOM 1471 CA HIS A 91 1.444 -4.825 -15.700 1.00 0.00 C ATOM 1472 C HIS A 91 1.408 -4.741 -17.223 1.00 0.00 C ATOM 1473 O HIS A 91 2.396 -4.397 -17.873 1.00 0.00 O ATOM 1474 CB HIS A 91 1.212 -3.440 -15.096 1.00 0.00 C ATOM 1475 CG HIS A 91 -0.232 -3.047 -15.033 1.00 0.00 C ATOM 1476 ND1 HIS A 91 -0.906 -2.486 -16.097 1.00 0.00 N ATOM 1477 CD2 HIS A 91 -1.131 -3.138 -14.026 1.00 0.00 C ATOM 1478 CE1 HIS A 91 -2.157 -2.248 -15.747 1.00 0.00 C ATOM 1479 NE2 HIS A 91 -2.320 -2.635 -14.495 1.00 0.00 N ATOM 0 H HIS A 91 3.535 -4.857 -15.554 1.00 0.00 H new ATOM 0 HA HIS A 91 0.649 -5.494 -15.372 1.00 0.00 H new ATOM 0 HB2 HIS A 91 1.630 -3.417 -14.090 1.00 0.00 H new ATOM 0 HB3 HIS A 91 1.756 -2.701 -15.684 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -0.948 -3.533 -13.038 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -2.917 -1.811 -16.377 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -3.188 -2.571 -13.963 1.00 0.00 H new ATOM 1488 N PRO A 92 0.245 -5.063 -17.807 1.00 0.00 N ATOM 1489 CA PRO A 92 0.053 -5.032 -19.260 1.00 0.00 C ATOM 1490 C PRO A 92 -0.065 -3.610 -19.799 1.00 0.00 C ATOM 1491 O PRO A 92 0.619 -3.239 -20.752 1.00 0.00 O ATOM 1492 CB PRO A 92 -1.261 -5.791 -19.461 1.00 0.00 C ATOM 1493 CG PRO A 92 -2.011 -5.592 -18.190 1.00 0.00 C ATOM 1494 CD PRO A 92 -0.974 -5.482 -17.094 1.00 0.00 C ATOM 0 HA PRO A 92 0.898 -5.468 -19.792 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -1.817 -5.401 -20.314 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -1.082 -6.849 -19.654 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -2.623 -4.691 -18.237 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -2.686 -6.427 -18.003 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.266 -4.753 -16.338 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -0.831 -6.433 -16.581 1.00 0.00 H new ATOM 1502 N ASN A 93 -0.937 -2.819 -19.183 1.00 0.00 N ATOM 1503 CA ASN A 93 -1.144 -1.438 -19.601 1.00 0.00 C ATOM 1504 C ASN A 93 -0.191 -0.498 -18.868 1.00 0.00 C ATOM 1505 O ASN A 93 -0.328 0.722 -18.942 1.00 0.00 O ATOM 1506 CB ASN A 93 -2.592 -1.017 -19.343 1.00 0.00 C ATOM 1507 CG ASN A 93 -3.023 0.142 -20.222 1.00 0.00 C ATOM 1508 OD1 ASN A 93 -3.047 0.030 -21.448 1.00 0.00 O ATOM 1509 ND2 ASN A 93 -3.366 1.262 -19.597 1.00 0.00 N ATOM 0 H ASN A 93 -1.512 -3.111 -18.392 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.938 -1.374 -20.670 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -3.251 -1.867 -19.518 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.705 -0.737 -18.296 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -3.665 2.075 -20.135 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -3.331 1.309 -18.579 1.00 0.00 H new ATOM 1516 N MET A 94 0.774 -1.077 -18.161 1.00 0.00 N ATOM 1517 CA MET A 94 1.750 -0.292 -17.415 1.00 0.00 C ATOM 1518 C MET A 94 3.105 -0.993 -17.387 1.00 0.00 C ATOM 1519 O MET A 94 3.276 -2.056 -17.985 1.00 0.00 O ATOM 1520 CB MET A 94 1.259 -0.048 -15.987 1.00 0.00 C ATOM 1521 CG MET A 94 0.322 1.142 -15.862 1.00 0.00 C ATOM 1522 SD MET A 94 -0.768 1.021 -14.430 1.00 0.00 S ATOM 1523 CE MET A 94 0.415 0.664 -13.133 1.00 0.00 C ATOM 0 H MET A 94 0.901 -2.087 -18.089 1.00 0.00 H new ATOM 0 HA MET A 94 1.867 0.667 -17.919 1.00 0.00 H new ATOM 0 HB2 MET A 94 0.748 -0.942 -15.630 1.00 0.00 H new ATOM 0 HB3 MET A 94 2.120 0.108 -15.337 1.00 0.00 H new ATOM 0 HG2 MET A 94 0.910 2.057 -15.790 1.00 0.00 H new ATOM 0 HG3 MET A 94 -0.281 1.222 -16.767 1.00 0.00 H new ATOM 0 HE1 MET A 94 -0.095 0.649 -12.170 1.00 0.00 H new ATOM 0 HE2 MET A 94 0.874 -0.308 -13.316 1.00 0.00 H new ATOM 0 HE3 MET A 94 1.187 1.434 -13.123 1.00 0.00 H new ATOM 1533 N ARG A 95 4.063 -0.393 -16.688 1.00 0.00 N ATOM 1534 CA ARG A 95 5.402 -0.960 -16.584 1.00 0.00 C ATOM 1535 C ARG A 95 5.482 -1.954 -15.429 1.00 0.00 C ATOM 1536 O ARG A 95 4.487 -2.222 -14.754 1.00 0.00 O ATOM 1537 CB ARG A 95 6.435 0.151 -16.388 1.00 0.00 C ATOM 1538 CG ARG A 95 6.274 0.909 -15.080 1.00 0.00 C ATOM 1539 CD ARG A 95 7.440 1.854 -14.837 1.00 0.00 C ATOM 1540 NE ARG A 95 7.206 3.174 -15.417 1.00 0.00 N ATOM 1541 CZ ARG A 95 7.461 3.475 -16.685 1.00 0.00 C ATOM 1542 NH1 ARG A 95 7.956 2.555 -17.502 1.00 0.00 N ATOM 1543 NH2 ARG A 95 7.221 4.698 -17.139 1.00 0.00 N ATOM 0 H ARG A 95 3.937 0.486 -16.185 1.00 0.00 H new ATOM 0 HA ARG A 95 5.620 -1.489 -17.512 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.434 -0.283 -16.426 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.361 0.855 -17.217 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.343 1.475 -15.099 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.200 0.201 -14.255 1.00 0.00 H new ATOM 0 HD2 ARG A 95 7.608 1.954 -13.765 1.00 0.00 H new ATOM 0 HD3 ARG A 95 8.348 1.427 -15.263 1.00 0.00 H new ATOM 0 HE ARG A 95 6.826 3.905 -14.815 1.00 0.00 H new ATOM 0 HH11 ARG A 95 8.142 1.613 -17.157 1.00 0.00 H new ATOM 0 HH12 ARG A 95 8.151 2.789 -18.475 1.00 0.00 H new ATOM 0 HH21 ARG A 95 6.840 5.408 -16.514 1.00 0.00 H new ATOM 0 HH22 ARG A 95 7.417 4.928 -18.113 1.00 0.00 H new ATOM 1557 N THR A 96 6.674 -2.499 -15.206 1.00 0.00 N ATOM 1558 CA THR A 96 6.885 -3.464 -14.134 1.00 0.00 C ATOM 1559 C THR A 96 7.308 -2.771 -12.845 1.00 0.00 C ATOM 1560 O THR A 96 8.334 -2.091 -12.802 1.00 0.00 O ATOM 1561 CB THR A 96 7.953 -4.506 -14.519 1.00 0.00 C ATOM 1562 OG1 THR A 96 7.553 -5.203 -15.704 1.00 0.00 O ATOM 1563 CG2 THR A 96 8.170 -5.500 -13.388 1.00 0.00 C ATOM 0 H THR A 96 7.508 -2.288 -15.754 1.00 0.00 H new ATOM 0 HA THR A 96 5.934 -3.972 -13.974 1.00 0.00 H new ATOM 0 HB THR A 96 8.890 -3.982 -14.706 1.00 0.00 H new ATOM 0 HG1 THR A 96 8.238 -5.862 -15.943 1.00 0.00 H new ATOM 0 HG21 THR A 96 8.928 -6.226 -13.682 1.00 0.00 H new ATOM 0 HG22 THR A 96 8.503 -4.969 -12.496 1.00 0.00 H new ATOM 0 HG23 THR A 96 7.235 -6.018 -13.174 1.00 0.00 H new ATOM 1571 N TYR A 97 6.513 -2.947 -11.795 1.00 0.00 N ATOM 1572 CA TYR A 97 6.805 -2.336 -10.504 1.00 0.00 C ATOM 1573 C TYR A 97 7.706 -3.238 -9.666 1.00 0.00 C ATOM 1574 O TYR A 97 7.963 -4.387 -10.027 1.00 0.00 O ATOM 1575 CB TYR A 97 5.507 -2.048 -9.748 1.00 0.00 C ATOM 1576 CG TYR A 97 4.771 -0.827 -10.252 1.00 0.00 C ATOM 1577 CD1 TYR A 97 4.911 -0.400 -11.567 1.00 0.00 C ATOM 1578 CD2 TYR A 97 3.934 -0.101 -9.413 1.00 0.00 C ATOM 1579 CE1 TYR A 97 4.241 0.715 -12.031 1.00 0.00 C ATOM 1580 CE2 TYR A 97 3.259 1.015 -9.869 1.00 0.00 C ATOM 1581 CZ TYR A 97 3.416 1.419 -11.179 1.00 0.00 C ATOM 1582 OH TYR A 97 2.745 2.529 -11.638 1.00 0.00 O ATOM 0 H TYR A 97 5.661 -3.508 -11.813 1.00 0.00 H new ATOM 0 HA TYR A 97 7.329 -1.397 -10.684 1.00 0.00 H new ATOM 0 HB2 TYR A 97 4.851 -2.915 -9.826 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.734 -1.914 -8.690 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.555 -0.950 -12.238 1.00 0.00 H new ATOM 0 HD2 TYR A 97 3.809 -0.415 -8.387 1.00 0.00 H new ATOM 0 HE1 TYR A 97 4.362 1.034 -13.056 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.612 1.568 -9.204 1.00 0.00 H new ATOM 0 HH TYR A 97 2.206 2.908 -10.913 1.00 0.00 H new ATOM 1592 N TYR A 98 8.182 -2.709 -8.544 1.00 0.00 N ATOM 1593 CA TYR A 98 9.055 -3.465 -7.654 1.00 0.00 C ATOM 1594 C TYR A 98 8.787 -3.108 -6.195 1.00 0.00 C ATOM 1595 O TYR A 98 8.558 -1.945 -5.860 1.00 0.00 O ATOM 1596 CB TYR A 98 10.522 -3.195 -7.995 1.00 0.00 C ATOM 1597 CG TYR A 98 10.959 -3.800 -9.310 1.00 0.00 C ATOM 1598 CD1 TYR A 98 10.702 -3.155 -10.513 1.00 0.00 C ATOM 1599 CD2 TYR A 98 11.629 -5.017 -9.349 1.00 0.00 C ATOM 1600 CE1 TYR A 98 11.098 -3.705 -11.717 1.00 0.00 C ATOM 1601 CE2 TYR A 98 12.031 -5.573 -10.548 1.00 0.00 C ATOM 1602 CZ TYR A 98 11.763 -4.913 -11.729 1.00 0.00 C ATOM 1603 OH TYR A 98 12.160 -5.465 -12.926 1.00 0.00 O ATOM 0 H TYR A 98 7.978 -1.760 -8.230 1.00 0.00 H new ATOM 0 HA TYR A 98 8.845 -4.525 -7.794 1.00 0.00 H new ATOM 0 HB2 TYR A 98 10.686 -2.118 -8.028 1.00 0.00 H new ATOM 0 HB3 TYR A 98 11.150 -3.589 -7.196 1.00 0.00 H new ATOM 0 HD1 TYR A 98 10.184 -2.207 -10.507 1.00 0.00 H new ATOM 0 HD2 TYR A 98 11.839 -5.537 -8.426 1.00 0.00 H new ATOM 0 HE1 TYR A 98 10.888 -3.192 -12.644 1.00 0.00 H new ATOM 0 HE2 TYR A 98 12.552 -6.519 -10.561 1.00 0.00 H new ATOM 0 HH TYR A 98 12.616 -6.316 -12.758 1.00 0.00 H new ATOM 1613 N PHE A 99 8.817 -4.117 -5.331 1.00 0.00 N ATOM 1614 CA PHE A 99 8.577 -3.911 -3.907 1.00 0.00 C ATOM 1615 C PHE A 99 9.550 -4.733 -3.067 1.00 0.00 C ATOM 1616 O PHE A 99 10.133 -5.706 -3.548 1.00 0.00 O ATOM 1617 CB PHE A 99 7.136 -4.286 -3.552 1.00 0.00 C ATOM 1618 CG PHE A 99 6.112 -3.632 -4.435 1.00 0.00 C ATOM 1619 CD1 PHE A 99 5.664 -2.349 -4.167 1.00 0.00 C ATOM 1620 CD2 PHE A 99 5.597 -4.302 -5.533 1.00 0.00 C ATOM 1621 CE1 PHE A 99 4.722 -1.744 -4.978 1.00 0.00 C ATOM 1622 CE2 PHE A 99 4.655 -3.703 -6.348 1.00 0.00 C ATOM 1623 CZ PHE A 99 4.216 -2.423 -6.069 1.00 0.00 C ATOM 0 H PHE A 99 9.005 -5.085 -5.591 1.00 0.00 H new ATOM 0 HA PHE A 99 8.736 -2.856 -3.686 1.00 0.00 H new ATOM 0 HB2 PHE A 99 7.024 -5.368 -3.619 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.941 -4.008 -2.516 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.055 -1.815 -3.314 1.00 0.00 H new ATOM 0 HD2 PHE A 99 5.935 -5.303 -5.755 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.382 -0.742 -4.759 1.00 0.00 H new ATOM 0 HE2 PHE A 99 4.262 -4.235 -7.202 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.478 -1.954 -6.703 1.00 0.00 H new ATOM 1633 N CYS A 100 9.720 -4.336 -1.811 1.00 0.00 N ATOM 1634 CA CYS A 100 10.623 -5.034 -0.904 1.00 0.00 C ATOM 1635 C CYS A 100 10.324 -4.671 0.547 1.00 0.00 C ATOM 1636 O CYS A 100 9.677 -3.661 0.826 1.00 0.00 O ATOM 1637 CB CYS A 100 12.077 -4.696 -1.237 1.00 0.00 C ATOM 1638 SG CYS A 100 12.585 -3.038 -0.726 1.00 0.00 S ATOM 0 H CYS A 100 9.244 -3.534 -1.398 1.00 0.00 H new ATOM 0 HA CYS A 100 10.469 -6.105 -1.031 1.00 0.00 H new ATOM 0 HB2 CYS A 100 12.728 -5.428 -0.758 1.00 0.00 H new ATOM 0 HB3 CYS A 100 12.224 -4.794 -2.312 1.00 0.00 H new ATOM 0 HG CYS A 100 12.637 -2.260 -1.766 1.00 0.00 H new ATOM 1644 N THR A 101 10.798 -5.503 1.470 1.00 0.00 N ATOM 1645 CA THR A 101 10.579 -5.272 2.892 1.00 0.00 C ATOM 1646 C THR A 101 11.867 -5.465 3.685 1.00 0.00 C ATOM 1647 O THR A 101 12.921 -5.747 3.116 1.00 0.00 O ATOM 1648 CB THR A 101 9.497 -6.213 3.454 1.00 0.00 C ATOM 1649 OG1 THR A 101 9.771 -7.563 3.063 1.00 0.00 O ATOM 1650 CG2 THR A 101 8.117 -5.806 2.961 1.00 0.00 C ATOM 0 H THR A 101 11.336 -6.343 1.257 1.00 0.00 H new ATOM 0 HA THR A 101 10.242 -4.241 2.997 1.00 0.00 H new ATOM 0 HB THR A 101 9.512 -6.140 4.541 1.00 0.00 H new ATOM 0 HG1 THR A 101 10.008 -8.091 3.854 1.00 0.00 H new ATOM 0 HG21 THR A 101 7.369 -6.485 3.371 1.00 0.00 H new ATOM 0 HG22 THR A 101 7.900 -4.788 3.286 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.091 -5.853 1.872 1.00 0.00 H new ATOM 1658 N ASP A 102 11.774 -5.312 5.001 1.00 0.00 N ATOM 1659 CA ASP A 102 12.932 -5.471 5.873 1.00 0.00 C ATOM 1660 C ASP A 102 13.258 -6.947 6.078 1.00 0.00 C ATOM 1661 O ASP A 102 14.422 -7.349 6.040 1.00 0.00 O ATOM 1662 CB ASP A 102 12.676 -4.801 7.224 1.00 0.00 C ATOM 1663 CG ASP A 102 12.524 -3.297 7.104 1.00 0.00 C ATOM 1664 OD1 ASP A 102 13.136 -2.709 6.187 1.00 0.00 O ATOM 1665 OD2 ASP A 102 11.791 -2.708 7.926 1.00 0.00 O ATOM 0 H ASP A 102 10.909 -5.078 5.488 1.00 0.00 H new ATOM 0 HA ASP A 102 13.785 -4.991 5.394 1.00 0.00 H new ATOM 0 HB2 ASP A 102 11.774 -5.220 7.669 1.00 0.00 H new ATOM 0 HB3 ASP A 102 13.500 -5.027 7.901 1.00 0.00 H new ATOM 1670 N THR A 103 12.223 -7.753 6.297 1.00 0.00 N ATOM 1671 CA THR A 103 12.400 -9.183 6.510 1.00 0.00 C ATOM 1672 C THR A 103 11.401 -9.989 5.687 1.00 0.00 C ATOM 1673 O THR A 103 10.533 -9.426 5.021 1.00 0.00 O ATOM 1674 CB THR A 103 12.239 -9.554 7.997 1.00 0.00 C ATOM 1675 OG1 THR A 103 10.915 -9.236 8.440 1.00 0.00 O ATOM 1676 CG2 THR A 103 13.257 -8.814 8.851 1.00 0.00 C ATOM 0 H THR A 103 11.253 -7.438 6.331 1.00 0.00 H new ATOM 0 HA THR A 103 13.413 -9.427 6.189 1.00 0.00 H new ATOM 0 HB THR A 103 12.409 -10.625 8.103 1.00 0.00 H new ATOM 0 HG1 THR A 103 10.820 -9.476 9.385 1.00 0.00 H new ATOM 0 HG21 THR A 103 13.125 -9.091 9.897 1.00 0.00 H new ATOM 0 HG22 THR A 103 14.264 -9.080 8.530 1.00 0.00 H new ATOM 0 HG23 THR A 103 13.113 -7.739 8.740 1.00 0.00 H new ATOM 1684 N GLY A 104 11.531 -11.312 5.737 1.00 0.00 N ATOM 1685 CA GLY A 104 10.632 -12.174 4.991 1.00 0.00 C ATOM 1686 C GLY A 104 9.187 -12.016 5.422 1.00 0.00 C ATOM 1687 O GLY A 104 8.282 -11.990 4.588 1.00 0.00 O ATOM 0 H GLY A 104 12.242 -11.802 6.280 1.00 0.00 H new ATOM 0 HA2 GLY A 104 10.717 -11.950 3.928 1.00 0.00 H new ATOM 0 HA3 GLY A 104 10.936 -13.212 5.123 1.00 0.00 H new ATOM 1691 N LYS A 105 8.969 -11.912 6.728 1.00 0.00 N ATOM 1692 CA LYS A 105 7.624 -11.757 7.269 1.00 0.00 C ATOM 1693 C LYS A 105 6.915 -10.566 6.633 1.00 0.00 C ATOM 1694 O LYS A 105 5.913 -10.728 5.938 1.00 0.00 O ATOM 1695 CB LYS A 105 7.681 -11.578 8.788 1.00 0.00 C ATOM 1696 CG LYS A 105 6.316 -11.397 9.431 1.00 0.00 C ATOM 1697 CD LYS A 105 5.848 -9.954 9.347 1.00 0.00 C ATOM 1698 CE LYS A 105 4.922 -9.601 10.501 1.00 0.00 C ATOM 1699 NZ LYS A 105 5.617 -9.686 11.815 1.00 0.00 N ATOM 0 H LYS A 105 9.707 -11.932 7.432 1.00 0.00 H new ATOM 0 HA LYS A 105 7.060 -12.660 7.036 1.00 0.00 H new ATOM 0 HB2 LYS A 105 8.169 -12.447 9.230 1.00 0.00 H new ATOM 0 HB3 LYS A 105 8.301 -10.712 9.020 1.00 0.00 H new ATOM 0 HG2 LYS A 105 5.591 -12.045 8.938 1.00 0.00 H new ATOM 0 HG3 LYS A 105 6.361 -11.706 10.475 1.00 0.00 H new ATOM 0 HD2 LYS A 105 6.712 -9.289 9.355 1.00 0.00 H new ATOM 0 HD3 LYS A 105 5.331 -9.792 8.401 1.00 0.00 H new ATOM 0 HE2 LYS A 105 4.534 -8.592 10.360 1.00 0.00 H new ATOM 0 HE3 LYS A 105 4.066 -10.275 10.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 5.149 -10.400 12.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 6.610 -9.957 11.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 5.578 -8.761 12.289 1.00 0.00 H new ATOM 1713 N GLU A 106 7.444 -9.370 6.874 1.00 0.00 N ATOM 1714 CA GLU A 106 6.861 -8.152 6.323 1.00 0.00 C ATOM 1715 C GLU A 106 6.564 -8.317 4.836 1.00 0.00 C ATOM 1716 O GLU A 106 5.755 -7.582 4.269 1.00 0.00 O ATOM 1717 CB GLU A 106 7.804 -6.967 6.538 1.00 0.00 C ATOM 1718 CG GLU A 106 7.626 -6.283 7.883 1.00 0.00 C ATOM 1719 CD GLU A 106 7.973 -4.808 7.839 1.00 0.00 C ATOM 1720 OE1 GLU A 106 9.162 -4.484 7.635 1.00 0.00 O ATOM 1721 OE2 GLU A 106 7.056 -3.977 8.008 1.00 0.00 O ATOM 0 H GLU A 106 8.274 -9.219 7.447 1.00 0.00 H new ATOM 0 HA GLU A 106 5.923 -7.960 6.844 1.00 0.00 H new ATOM 0 HB2 GLU A 106 8.834 -7.313 6.449 1.00 0.00 H new ATOM 0 HB3 GLU A 106 7.643 -6.237 5.745 1.00 0.00 H new ATOM 0 HG2 GLU A 106 6.593 -6.400 8.212 1.00 0.00 H new ATOM 0 HG3 GLU A 106 8.254 -6.778 8.624 1.00 0.00 H new ATOM 1728 N MET A 107 7.224 -9.285 4.210 1.00 0.00 N ATOM 1729 CA MET A 107 7.030 -9.547 2.788 1.00 0.00 C ATOM 1730 C MET A 107 5.868 -10.510 2.566 1.00 0.00 C ATOM 1731 O MET A 107 4.995 -10.262 1.735 1.00 0.00 O ATOM 1732 CB MET A 107 8.308 -10.121 2.174 1.00 0.00 C ATOM 1733 CG MET A 107 8.052 -11.079 1.023 1.00 0.00 C ATOM 1734 SD MET A 107 7.899 -12.792 1.565 1.00 0.00 S ATOM 1735 CE MET A 107 8.006 -13.654 -0.001 1.00 0.00 C ATOM 0 H MET A 107 7.898 -9.901 4.664 1.00 0.00 H new ATOM 0 HA MET A 107 6.794 -8.602 2.299 1.00 0.00 H new ATOM 0 HB2 MET A 107 8.932 -9.300 1.821 1.00 0.00 H new ATOM 0 HB3 MET A 107 8.872 -10.640 2.949 1.00 0.00 H new ATOM 0 HG2 MET A 107 7.140 -10.783 0.505 1.00 0.00 H new ATOM 0 HG3 MET A 107 8.867 -11.001 0.303 1.00 0.00 H new ATOM 0 HE1 MET A 107 8.451 -14.637 0.154 1.00 0.00 H new ATOM 0 HE2 MET A 107 7.007 -13.770 -0.421 1.00 0.00 H new ATOM 0 HE3 MET A 107 8.625 -13.080 -0.691 1.00 0.00 H new ATOM 1745 N GLU A 108 5.865 -11.609 3.314 1.00 0.00 N ATOM 1746 CA GLU A 108 4.811 -12.609 3.196 1.00 0.00 C ATOM 1747 C GLU A 108 3.437 -11.979 3.407 1.00 0.00 C ATOM 1748 O GLU A 108 2.472 -12.324 2.724 1.00 0.00 O ATOM 1749 CB GLU A 108 5.029 -13.735 4.210 1.00 0.00 C ATOM 1750 CG GLU A 108 4.346 -13.492 5.545 1.00 0.00 C ATOM 1751 CD GLU A 108 4.530 -14.645 6.513 1.00 0.00 C ATOM 1752 OE1 GLU A 108 4.028 -15.751 6.221 1.00 0.00 O ATOM 1753 OE2 GLU A 108 5.176 -14.441 7.562 1.00 0.00 O ATOM 0 H GLU A 108 6.580 -11.829 4.007 1.00 0.00 H new ATOM 0 HA GLU A 108 4.851 -13.024 2.189 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.660 -14.670 3.787 1.00 0.00 H new ATOM 0 HB3 GLU A 108 6.099 -13.861 4.376 1.00 0.00 H new ATOM 0 HG2 GLU A 108 4.743 -12.581 5.992 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.281 -13.328 5.380 1.00 0.00 H new ATOM 1760 N LEU A 109 3.357 -11.055 4.358 1.00 0.00 N ATOM 1761 CA LEU A 109 2.102 -10.376 4.661 1.00 0.00 C ATOM 1762 C LEU A 109 1.582 -9.622 3.441 1.00 0.00 C ATOM 1763 O LEU A 109 0.408 -9.728 3.088 1.00 0.00 O ATOM 1764 CB LEU A 109 2.292 -9.408 5.830 1.00 0.00 C ATOM 1765 CG LEU A 109 2.889 -10.004 7.105 1.00 0.00 C ATOM 1766 CD1 LEU A 109 2.796 -9.012 8.254 1.00 0.00 C ATOM 1767 CD2 LEU A 109 2.187 -11.306 7.465 1.00 0.00 C ATOM 0 H LEU A 109 4.146 -10.759 4.932 1.00 0.00 H new ATOM 0 HA LEU A 109 1.367 -11.131 4.939 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.934 -8.592 5.499 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.324 -8.972 6.076 1.00 0.00 H new ATOM 0 HG LEU A 109 3.942 -10.220 6.923 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.226 -9.455 9.153 1.00 0.00 H new ATOM 0 HD12 LEU A 109 3.345 -8.106 7.998 1.00 0.00 H new ATOM 0 HD13 LEU A 109 1.750 -8.764 8.437 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.625 -11.716 8.375 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.126 -11.115 7.627 1.00 0.00 H new ATOM 0 HD23 LEU A 109 2.306 -12.021 6.651 1.00 0.00 H new ATOM 1779 N TRP A 110 2.465 -8.863 2.801 1.00 0.00 N ATOM 1780 CA TRP A 110 2.096 -8.093 1.619 1.00 0.00 C ATOM 1781 C TRP A 110 1.765 -9.015 0.450 1.00 0.00 C ATOM 1782 O TRP A 110 0.755 -8.834 -0.228 1.00 0.00 O ATOM 1783 CB TRP A 110 3.229 -7.142 1.230 1.00 0.00 C ATOM 1784 CG TRP A 110 3.155 -5.815 1.924 1.00 0.00 C ATOM 1785 CD1 TRP A 110 4.093 -5.271 2.754 1.00 0.00 C ATOM 1786 CD2 TRP A 110 2.085 -4.867 1.849 1.00 0.00 C ATOM 1787 NE1 TRP A 110 3.671 -4.042 3.199 1.00 0.00 N ATOM 1788 CE2 TRP A 110 2.442 -3.771 2.658 1.00 0.00 C ATOM 1789 CE3 TRP A 110 0.861 -4.837 1.175 1.00 0.00 C ATOM 1790 CZ2 TRP A 110 1.618 -2.659 2.811 1.00 0.00 C ATOM 1791 CZ3 TRP A 110 0.044 -3.733 1.328 1.00 0.00 C ATOM 1792 CH2 TRP A 110 0.425 -2.656 2.140 1.00 0.00 C ATOM 0 H TRP A 110 3.441 -8.765 3.081 1.00 0.00 H new ATOM 0 HA TRP A 110 1.208 -7.509 1.859 1.00 0.00 H new ATOM 0 HB2 TRP A 110 4.184 -7.613 1.462 1.00 0.00 H new ATOM 0 HB3 TRP A 110 3.206 -6.982 0.152 1.00 0.00 H new ATOM 0 HD1 TRP A 110 5.029 -5.738 3.021 1.00 0.00 H new ATOM 0 HE1 TRP A 110 4.189 -3.430 3.830 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.559 -5.662 0.546 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 1.910 -1.829 3.437 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -0.905 -3.700 0.813 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -0.236 -1.807 2.238 1.00 0.00 H new ATOM 1803 N MET A 111 2.624 -10.003 0.221 1.00 0.00 N ATOM 1804 CA MET A 111 2.421 -10.954 -0.866 1.00 0.00 C ATOM 1805 C MET A 111 1.102 -11.701 -0.696 1.00 0.00 C ATOM 1806 O MET A 111 0.203 -11.593 -1.531 1.00 0.00 O ATOM 1807 CB MET A 111 3.581 -11.950 -0.924 1.00 0.00 C ATOM 1808 CG MET A 111 4.869 -11.353 -1.466 1.00 0.00 C ATOM 1809 SD MET A 111 4.842 -11.156 -3.258 1.00 0.00 S ATOM 1810 CE MET A 111 6.333 -12.036 -3.718 1.00 0.00 C ATOM 0 H MET A 111 3.466 -10.166 0.773 1.00 0.00 H new ATOM 0 HA MET A 111 2.384 -10.396 -1.801 1.00 0.00 H new ATOM 0 HB2 MET A 111 3.764 -12.340 0.077 1.00 0.00 H new ATOM 0 HB3 MET A 111 3.292 -12.796 -1.548 1.00 0.00 H new ATOM 0 HG2 MET A 111 5.039 -10.382 -1.000 1.00 0.00 H new ATOM 0 HG3 MET A 111 5.707 -11.992 -1.187 1.00 0.00 H new ATOM 0 HE1 MET A 111 6.475 -11.973 -4.797 1.00 0.00 H new ATOM 0 HE2 MET A 111 7.190 -11.589 -3.213 1.00 0.00 H new ATOM 0 HE3 MET A 111 6.243 -13.082 -3.424 1.00 0.00 H new ATOM 1820 N LYS A 112 0.991 -12.458 0.390 1.00 0.00 N ATOM 1821 CA LYS A 112 -0.218 -13.222 0.671 1.00 0.00 C ATOM 1822 C LYS A 112 -1.461 -12.457 0.227 1.00 0.00 C ATOM 1823 O LYS A 112 -2.370 -13.027 -0.374 1.00 0.00 O ATOM 1824 CB LYS A 112 -0.309 -13.541 2.165 1.00 0.00 C ATOM 1825 CG LYS A 112 0.646 -14.633 2.614 1.00 0.00 C ATOM 1826 CD LYS A 112 0.094 -16.016 2.309 1.00 0.00 C ATOM 1827 CE LYS A 112 -0.948 -16.438 3.333 1.00 0.00 C ATOM 1828 NZ LYS A 112 -0.342 -16.696 4.668 1.00 0.00 N ATOM 0 H LYS A 112 1.725 -12.559 1.091 1.00 0.00 H new ATOM 0 HA LYS A 112 -0.167 -14.155 0.109 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -0.104 -12.634 2.734 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -1.329 -13.843 2.402 1.00 0.00 H new ATOM 0 HG2 LYS A 112 1.607 -14.505 2.115 1.00 0.00 H new ATOM 0 HG3 LYS A 112 0.828 -14.541 3.685 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -0.350 -16.020 1.314 1.00 0.00 H new ATOM 0 HD3 LYS A 112 0.909 -16.740 2.298 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -1.705 -15.659 3.423 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -1.456 -17.338 2.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -0.991 -17.275 5.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 0.559 -17.202 4.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -0.169 -15.792 5.151 1.00 0.00 H new ATOM 1842 N ALA A 113 -1.491 -11.162 0.526 1.00 0.00 N ATOM 1843 CA ALA A 113 -2.620 -10.319 0.154 1.00 0.00 C ATOM 1844 C ALA A 113 -2.562 -9.944 -1.323 1.00 0.00 C ATOM 1845 O ALA A 113 -3.437 -10.319 -2.103 1.00 0.00 O ATOM 1846 CB ALA A 113 -2.651 -9.067 1.018 1.00 0.00 C ATOM 0 H ALA A 113 -0.747 -10.675 1.025 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.536 -10.886 0.322 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -3.499 -8.447 0.729 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.749 -9.350 2.066 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -1.727 -8.506 0.879 1.00 0.00 H new ATOM 1852 N MET A 114 -1.527 -9.201 -1.700 1.00 0.00 N ATOM 1853 CA MET A 114 -1.355 -8.776 -3.084 1.00 0.00 C ATOM 1854 C MET A 114 -1.793 -9.874 -4.048 1.00 0.00 C ATOM 1855 O MET A 114 -2.620 -9.645 -4.932 1.00 0.00 O ATOM 1856 CB MET A 114 0.104 -8.402 -3.348 1.00 0.00 C ATOM 1857 CG MET A 114 0.484 -7.028 -2.820 1.00 0.00 C ATOM 1858 SD MET A 114 2.046 -6.431 -3.497 1.00 0.00 S ATOM 1859 CE MET A 114 2.535 -5.257 -2.236 1.00 0.00 C ATOM 0 H MET A 114 -0.795 -8.881 -1.066 1.00 0.00 H new ATOM 0 HA MET A 114 -1.982 -7.900 -3.249 1.00 0.00 H new ATOM 0 HB2 MET A 114 0.751 -9.150 -2.890 1.00 0.00 H new ATOM 0 HB3 MET A 114 0.290 -8.434 -4.421 1.00 0.00 H new ATOM 0 HG2 MET A 114 -0.307 -6.318 -3.062 1.00 0.00 H new ATOM 0 HG3 MET A 114 0.555 -7.068 -1.733 1.00 0.00 H new ATOM 0 HE1 MET A 114 3.622 -5.230 -2.166 1.00 0.00 H new ATOM 0 HE2 MET A 114 2.163 -4.266 -2.497 1.00 0.00 H new ATOM 0 HE3 MET A 114 2.117 -5.560 -1.276 1.00 0.00 H new ATOM 1869 N LEU A 115 -1.234 -11.066 -3.874 1.00 0.00 N ATOM 1870 CA LEU A 115 -1.567 -12.200 -4.729 1.00 0.00 C ATOM 1871 C LEU A 115 -3.074 -12.429 -4.768 1.00 0.00 C ATOM 1872 O LEU A 115 -3.669 -12.531 -5.840 1.00 0.00 O ATOM 1873 CB LEU A 115 -0.860 -13.463 -4.232 1.00 0.00 C ATOM 1874 CG LEU A 115 0.534 -13.721 -4.805 1.00 0.00 C ATOM 1875 CD1 LEU A 115 0.487 -13.766 -6.324 1.00 0.00 C ATOM 1876 CD2 LEU A 115 1.511 -12.656 -4.330 1.00 0.00 C ATOM 0 H LEU A 115 -0.548 -11.273 -3.148 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.227 -11.974 -5.740 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.780 -13.407 -3.146 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -1.490 -14.322 -4.462 1.00 0.00 H new ATOM 0 HG LEU A 115 0.881 -14.690 -4.445 1.00 0.00 H new ATOM 0 HD11 LEU A 115 1.488 -13.950 -6.714 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -0.180 -14.566 -6.644 1.00 0.00 H new ATOM 0 HD13 LEU A 115 0.119 -12.813 -6.705 1.00 0.00 H new ATOM 0 HD21 LEU A 115 2.498 -12.855 -4.747 1.00 0.00 H new ATOM 0 HD22 LEU A 115 1.169 -11.675 -4.660 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.567 -12.673 -3.242 1.00 0.00 H new ATOM 1888 N ASP A 116 -3.686 -12.506 -3.591 1.00 0.00 N ATOM 1889 CA ASP A 116 -5.125 -12.719 -3.490 1.00 0.00 C ATOM 1890 C ASP A 116 -5.883 -11.753 -4.395 1.00 0.00 C ATOM 1891 O ASP A 116 -6.951 -12.078 -4.911 1.00 0.00 O ATOM 1892 CB ASP A 116 -5.587 -12.550 -2.042 1.00 0.00 C ATOM 1893 CG ASP A 116 -6.799 -13.401 -1.717 1.00 0.00 C ATOM 1894 OD1 ASP A 116 -7.899 -13.083 -2.215 1.00 0.00 O ATOM 1895 OD2 ASP A 116 -6.646 -14.387 -0.966 1.00 0.00 O ATOM 0 H ASP A 116 -3.208 -12.424 -2.694 1.00 0.00 H new ATOM 0 HA ASP A 116 -5.340 -13.737 -3.815 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -4.770 -12.814 -1.370 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -5.823 -11.502 -1.859 1.00 0.00 H new ATOM 1900 N ALA A 117 -5.322 -10.563 -4.582 1.00 0.00 N ATOM 1901 CA ALA A 117 -5.943 -9.549 -5.425 1.00 0.00 C ATOM 1902 C ALA A 117 -5.551 -9.735 -6.887 1.00 0.00 C ATOM 1903 O ALA A 117 -6.398 -9.680 -7.779 1.00 0.00 O ATOM 1904 CB ALA A 117 -5.559 -8.157 -4.947 1.00 0.00 C ATOM 0 H ALA A 117 -4.438 -10.277 -4.161 1.00 0.00 H new ATOM 0 HA ALA A 117 -7.024 -9.662 -5.349 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -6.030 -7.410 -5.586 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -5.895 -8.020 -3.919 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -4.476 -8.043 -4.993 1.00 0.00 H new ATOM 1910 N ALA A 118 -4.262 -9.955 -7.126 1.00 0.00 N ATOM 1911 CA ALA A 118 -3.759 -10.151 -8.480 1.00 0.00 C ATOM 1912 C ALA A 118 -4.429 -11.347 -9.147 1.00 0.00 C ATOM 1913 O ALA A 118 -4.989 -11.229 -10.238 1.00 0.00 O ATOM 1914 CB ALA A 118 -2.248 -10.333 -8.460 1.00 0.00 C ATOM 0 H ALA A 118 -3.548 -10.002 -6.400 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.000 -9.262 -9.063 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -1.886 -10.478 -9.478 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -1.780 -9.447 -8.031 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -1.994 -11.205 -7.857 1.00 0.00 H new ATOM 1920 N LEU A 119 -4.368 -12.498 -8.487 1.00 0.00 N ATOM 1921 CA LEU A 119 -4.969 -13.717 -9.017 1.00 0.00 C ATOM 1922 C LEU A 119 -6.313 -13.420 -9.676 1.00 0.00 C ATOM 1923 O LEU A 119 -6.747 -14.139 -10.575 1.00 0.00 O ATOM 1924 CB LEU A 119 -5.152 -14.746 -7.900 1.00 0.00 C ATOM 1925 CG LEU A 119 -6.453 -14.648 -7.104 1.00 0.00 C ATOM 1926 CD1 LEU A 119 -7.535 -15.508 -7.739 1.00 0.00 C ATOM 1927 CD2 LEU A 119 -6.225 -15.058 -5.656 1.00 0.00 C ATOM 0 H LEU A 119 -3.908 -12.613 -7.584 1.00 0.00 H new ATOM 0 HA LEU A 119 -4.297 -14.125 -9.772 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -5.092 -15.742 -8.338 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -4.317 -14.652 -7.206 1.00 0.00 H new ATOM 0 HG LEU A 119 -6.787 -13.611 -7.119 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -8.453 -15.425 -7.158 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -7.718 -15.168 -8.758 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -7.210 -16.548 -7.756 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -7.162 -14.982 -5.104 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -5.866 -16.087 -5.621 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -5.483 -14.399 -5.204 1.00 0.00 H new