USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=19 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 94 MET CE :methyl 180:sc= -2.02 (180deg=-2.02) USER MOD Set 1.2: A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 129:sc= 1.18 USER MOD Single : A 29 LYS NZ :NH3+ -178:sc= 0.25 (180deg=0.242) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 152:sc= -0.183 (180deg=-0.859) USER MOD Single : A 46 SER OG : rot -170:sc= -0.168 USER MOD Single : A 49 CYS SG : rot 61:sc= 0.939 USER MOD Single : A 52 TYR OH : rot 180:sc= -0.46 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 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.59) 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= -8.51! C(o=-8.5!,f=-15!) USER MOD Single : A 93 ASN : amide:sc= -0.0453 X(o=-0.045,f=-0.045) 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 -110:sc= 0.405 USER MOD Single : A 101 THR OG1 : rot 109:sc= -0.251 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -164:sc= -0.208 (180deg=-0.629) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 111 MET CE :methyl 149:sc= -0.157 (180deg=-2.48) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 MET CE :methyl 149:sc= -0.579 (180deg=-2.09!) USER MOD ----------------------------------------------------------------- ATOM 265 N PRO A 20 -13.419 -4.124 4.142 1.00 0.00 N ATOM 266 CA PRO A 20 -12.545 -4.193 5.317 1.00 0.00 C ATOM 267 C PRO A 20 -11.070 -4.274 4.938 1.00 0.00 C ATOM 268 O PRO A 20 -10.632 -5.236 4.307 1.00 0.00 O ATOM 269 CB PRO A 20 -12.989 -5.481 6.014 1.00 0.00 C ATOM 270 CG PRO A 20 -13.528 -6.337 4.921 1.00 0.00 C ATOM 271 CD PRO A 20 -14.101 -5.402 3.880 1.00 0.00 C ATOM 0 HA PRO A 20 -12.630 -3.303 5.941 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.154 -5.965 6.521 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -13.748 -5.280 6.770 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -12.742 -6.958 4.492 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -14.296 -7.011 5.300 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -13.905 -5.760 2.869 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.182 -5.306 3.980 1.00 0.00 H new ATOM 279 N VAL A 21 -10.307 -3.257 5.328 1.00 0.00 N ATOM 280 CA VAL A 21 -8.880 -3.214 5.031 1.00 0.00 C ATOM 281 C VAL A 21 -8.184 -4.490 5.492 1.00 0.00 C ATOM 282 O VAL A 21 -8.322 -4.904 6.643 1.00 0.00 O ATOM 283 CB VAL A 21 -8.203 -2.003 5.700 1.00 0.00 C ATOM 284 CG1 VAL A 21 -6.741 -1.915 5.291 1.00 0.00 C ATOM 285 CG2 VAL A 21 -8.942 -0.720 5.351 1.00 0.00 C ATOM 0 H VAL A 21 -10.653 -2.452 5.850 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.785 -3.122 3.949 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.245 -2.136 6.781 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.279 -1.053 5.773 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.222 -2.823 5.597 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.672 -1.805 4.209 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.450 0.126 5.832 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.934 -0.578 4.270 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.972 -0.787 5.700 1.00 0.00 H new ATOM 295 N VAL A 22 -7.435 -5.110 4.585 1.00 0.00 N ATOM 296 CA VAL A 22 -6.715 -6.338 4.899 1.00 0.00 C ATOM 297 C VAL A 22 -5.515 -6.058 5.796 1.00 0.00 C ATOM 298 O VAL A 22 -5.337 -6.702 6.830 1.00 0.00 O ATOM 299 CB VAL A 22 -6.232 -7.047 3.620 1.00 0.00 C ATOM 300 CG1 VAL A 22 -5.430 -8.292 3.969 1.00 0.00 C ATOM 301 CG2 VAL A 22 -7.413 -7.398 2.727 1.00 0.00 C ATOM 0 H VAL A 22 -7.311 -4.782 3.627 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.413 -6.989 5.425 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.581 -6.366 3.072 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.097 -8.779 3.052 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.562 -8.010 4.566 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.055 -8.979 4.539 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.053 -7.898 1.828 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.091 -8.061 3.264 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.942 -6.487 2.448 1.00 0.00 H new ATOM 311 N ARG A 23 -4.694 -5.094 5.393 1.00 0.00 N ATOM 312 CA ARG A 23 -3.509 -4.729 6.160 1.00 0.00 C ATOM 313 C ARG A 23 -2.841 -3.490 5.571 1.00 0.00 C ATOM 314 O ARG A 23 -2.812 -3.308 4.354 1.00 0.00 O ATOM 315 CB ARG A 23 -2.516 -5.892 6.189 1.00 0.00 C ATOM 316 CG ARG A 23 -1.578 -5.862 7.385 1.00 0.00 C ATOM 317 CD ARG A 23 -2.271 -6.349 8.648 1.00 0.00 C ATOM 318 NE ARG A 23 -1.457 -6.125 9.840 1.00 0.00 N ATOM 319 CZ ARG A 23 -1.844 -6.455 11.067 1.00 0.00 C ATOM 320 NH1 ARG A 23 -3.026 -7.021 11.263 1.00 0.00 N ATOM 321 NH2 ARG A 23 -1.047 -6.219 12.101 1.00 0.00 N ATOM 0 H ARG A 23 -4.828 -4.552 4.540 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.822 -4.502 7.179 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.069 -6.831 6.195 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.925 -5.877 5.274 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.708 -6.486 7.182 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.213 -4.846 7.537 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.226 -5.835 8.759 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.491 -7.412 8.554 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.541 -5.691 9.724 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.641 -7.204 10.470 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.320 -7.273 12.206 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.136 -5.784 11.954 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.345 -6.473 13.043 1.00 0.00 H new ATOM 335 N ARG A 24 -2.305 -2.642 6.443 1.00 0.00 N ATOM 336 CA ARG A 24 -1.639 -1.420 6.010 1.00 0.00 C ATOM 337 C ARG A 24 -0.294 -1.256 6.712 1.00 0.00 C ATOM 338 O ARG A 24 -0.199 -1.386 7.931 1.00 0.00 O ATOM 339 CB ARG A 24 -2.524 -0.204 6.290 1.00 0.00 C ATOM 340 CG ARG A 24 -3.001 -0.117 7.731 1.00 0.00 C ATOM 341 CD ARG A 24 -3.723 1.194 8.000 1.00 0.00 C ATOM 342 NE ARG A 24 -3.581 1.622 9.389 1.00 0.00 N ATOM 343 CZ ARG A 24 -4.342 2.552 9.953 1.00 0.00 C ATOM 344 NH1 ARG A 24 -5.296 3.149 9.251 1.00 0.00 N ATOM 345 NH2 ARG A 24 -4.152 2.888 11.223 1.00 0.00 N ATOM 0 H ARG A 24 -2.319 -2.779 7.454 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.463 -1.493 4.937 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.970 0.702 6.044 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.391 -0.237 5.630 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.668 -0.952 7.946 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.148 -0.209 8.404 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.329 1.967 7.340 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.781 1.081 7.762 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.857 1.182 9.957 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.447 2.894 8.275 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.879 3.863 9.687 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -3.420 2.431 11.767 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -4.738 3.603 11.655 1.00 0.00 H new ATOM 359 N GLY A 25 0.744 -0.969 5.932 1.00 0.00 N ATOM 360 CA GLY A 25 2.070 -0.793 6.496 1.00 0.00 C ATOM 361 C GLY A 25 2.990 -0.011 5.580 1.00 0.00 C ATOM 362 O GLY A 25 2.764 0.055 4.372 1.00 0.00 O ATOM 0 H GLY A 25 0.690 -0.855 4.920 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.989 -0.276 7.452 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.508 -1.770 6.698 1.00 0.00 H new ATOM 366 N TRP A 26 4.029 0.583 6.155 1.00 0.00 N ATOM 367 CA TRP A 26 4.986 1.366 5.382 1.00 0.00 C ATOM 368 C TRP A 26 5.768 0.476 4.422 1.00 0.00 C ATOM 369 O TRP A 26 6.707 -0.212 4.824 1.00 0.00 O ATOM 370 CB TRP A 26 5.950 2.099 6.317 1.00 0.00 C ATOM 371 CG TRP A 26 5.291 3.179 7.121 1.00 0.00 C ATOM 372 CD1 TRP A 26 4.640 3.031 8.313 1.00 0.00 C ATOM 373 CD2 TRP A 26 5.218 4.570 6.792 1.00 0.00 C ATOM 374 NE1 TRP A 26 4.166 4.247 8.744 1.00 0.00 N ATOM 375 CE2 TRP A 26 4.508 5.207 7.829 1.00 0.00 C ATOM 376 CE3 TRP A 26 5.684 5.340 5.723 1.00 0.00 C ATOM 377 CZ2 TRP A 26 4.255 6.576 7.825 1.00 0.00 C ATOM 378 CZ3 TRP A 26 5.431 6.698 5.721 1.00 0.00 C ATOM 379 CH2 TRP A 26 4.723 7.305 6.766 1.00 0.00 C ATOM 0 H TRP A 26 4.230 0.537 7.154 1.00 0.00 H new ATOM 0 HA TRP A 26 4.430 2.099 4.797 1.00 0.00 H new ATOM 0 HB2 TRP A 26 6.406 1.378 6.995 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.756 2.535 5.727 1.00 0.00 H new ATOM 0 HD1 TRP A 26 4.516 2.096 8.839 1.00 0.00 H new ATOM 0 HE1 TRP A 26 3.644 4.408 9.605 1.00 0.00 H new ATOM 0 HE3 TRP A 26 6.232 4.882 4.913 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 3.709 7.046 8.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 5.785 7.302 4.899 1.00 0.00 H new ATOM 0 HH2 TRP A 26 4.543 8.369 6.735 1.00 0.00 H new ATOM 390 N LEU A 27 5.376 0.495 3.153 1.00 0.00 N ATOM 391 CA LEU A 27 6.041 -0.311 2.135 1.00 0.00 C ATOM 392 C LEU A 27 7.013 0.536 1.319 1.00 0.00 C ATOM 393 O LEU A 27 6.920 1.763 1.303 1.00 0.00 O ATOM 394 CB LEU A 27 5.007 -0.955 1.210 1.00 0.00 C ATOM 395 CG LEU A 27 5.546 -1.979 0.210 1.00 0.00 C ATOM 396 CD1 LEU A 27 6.284 -3.094 0.935 1.00 0.00 C ATOM 397 CD2 LEU A 27 4.414 -2.547 -0.634 1.00 0.00 C ATOM 0 H LEU A 27 4.601 1.059 2.804 1.00 0.00 H new ATOM 0 HA LEU A 27 6.606 -1.095 2.639 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.251 -1.442 1.826 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.504 -0.164 0.654 1.00 0.00 H new ATOM 0 HG LEU A 27 6.250 -1.476 -0.453 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.661 -3.814 0.208 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.119 -2.673 1.495 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.602 -3.595 1.622 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.816 -3.274 -1.340 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.686 -3.035 0.014 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.928 -1.740 -1.182 1.00 0.00 H new ATOM 409 N TYR A 28 7.943 -0.128 0.642 1.00 0.00 N ATOM 410 CA TYR A 28 8.932 0.564 -0.176 1.00 0.00 C ATOM 411 C TYR A 28 8.639 0.375 -1.661 1.00 0.00 C ATOM 412 O TYR A 28 8.596 -0.750 -2.160 1.00 0.00 O ATOM 413 CB TYR A 28 10.338 0.054 0.147 1.00 0.00 C ATOM 414 CG TYR A 28 10.644 0.018 1.627 1.00 0.00 C ATOM 415 CD1 TYR A 28 9.984 0.859 2.514 1.00 0.00 C ATOM 416 CD2 TYR A 28 11.593 -0.858 2.139 1.00 0.00 C ATOM 417 CE1 TYR A 28 10.261 0.830 3.867 1.00 0.00 C ATOM 418 CE2 TYR A 28 11.876 -0.895 3.491 1.00 0.00 C ATOM 419 CZ TYR A 28 11.207 -0.049 4.350 1.00 0.00 C ATOM 420 OH TYR A 28 11.485 -0.081 5.698 1.00 0.00 O ATOM 0 H TYR A 28 8.033 -1.144 0.643 1.00 0.00 H new ATOM 0 HA TYR A 28 8.877 1.628 0.054 1.00 0.00 H new ATOM 0 HB2 TYR A 28 10.455 -0.949 -0.264 1.00 0.00 H new ATOM 0 HB3 TYR A 28 11.070 0.690 -0.351 1.00 0.00 H new ATOM 0 HD1 TYR A 28 9.241 1.548 2.139 1.00 0.00 H new ATOM 0 HD2 TYR A 28 12.119 -1.522 1.469 1.00 0.00 H new ATOM 0 HE1 TYR A 28 9.740 1.492 4.542 1.00 0.00 H new ATOM 0 HE2 TYR A 28 12.617 -1.582 3.873 1.00 0.00 H new ATOM 0 HH TYR A 28 11.440 -1.006 6.019 1.00 0.00 H new ATOM 430 N LYS A 29 8.438 1.484 -2.364 1.00 0.00 N ATOM 431 CA LYS A 29 8.151 1.445 -3.793 1.00 0.00 C ATOM 432 C LYS A 29 9.408 1.730 -4.608 1.00 0.00 C ATOM 433 O LYS A 29 10.207 2.594 -4.250 1.00 0.00 O ATOM 434 CB LYS A 29 7.061 2.460 -4.143 1.00 0.00 C ATOM 435 CG LYS A 29 6.855 2.640 -5.637 1.00 0.00 C ATOM 436 CD LYS A 29 5.812 1.676 -6.176 1.00 0.00 C ATOM 437 CE LYS A 29 4.414 2.274 -6.112 1.00 0.00 C ATOM 438 NZ LYS A 29 4.075 3.025 -7.352 1.00 0.00 N ATOM 0 H LYS A 29 8.469 2.423 -1.966 1.00 0.00 H new ATOM 0 HA LYS A 29 7.799 0.444 -4.041 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.122 2.142 -3.691 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.318 3.423 -3.701 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.545 3.665 -5.842 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.800 2.483 -6.157 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.052 1.418 -7.208 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.839 0.750 -5.602 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.685 1.478 -5.959 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.343 2.941 -5.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.129 3.445 -7.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.775 3.779 -7.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.084 2.376 -8.164 1.00 0.00 H new ATOM 571 N TRP A 38 14.671 2.883 -3.886 1.00 0.00 N ATOM 572 CA TRP A 38 13.468 2.531 -3.141 1.00 0.00 C ATOM 573 C TRP A 38 12.972 3.714 -2.317 1.00 0.00 C ATOM 574 O TRP A 38 13.637 4.151 -1.378 1.00 0.00 O ATOM 575 CB TRP A 38 13.740 1.335 -2.228 1.00 0.00 C ATOM 576 CG TRP A 38 14.436 0.203 -2.922 1.00 0.00 C ATOM 577 CD1 TRP A 38 15.784 0.002 -3.011 1.00 0.00 C ATOM 578 CD2 TRP A 38 13.819 -0.881 -3.625 1.00 0.00 C ATOM 579 NE1 TRP A 38 16.042 -1.142 -3.728 1.00 0.00 N ATOM 580 CE2 TRP A 38 14.854 -1.702 -4.114 1.00 0.00 C ATOM 581 CE3 TRP A 38 12.494 -1.238 -3.886 1.00 0.00 C ATOM 582 CZ2 TRP A 38 14.602 -2.856 -4.851 1.00 0.00 C ATOM 583 CZ3 TRP A 38 12.246 -2.384 -4.618 1.00 0.00 C ATOM 584 CH2 TRP A 38 13.295 -3.183 -5.092 1.00 0.00 C ATOM 0 HA TRP A 38 12.693 2.262 -3.858 1.00 0.00 H new ATOM 0 HB2 TRP A 38 14.347 1.662 -1.384 1.00 0.00 H new ATOM 0 HB3 TRP A 38 12.795 0.976 -1.821 1.00 0.00 H new ATOM 0 HD1 TRP A 38 16.536 0.647 -2.581 1.00 0.00 H new ATOM 0 HE1 TRP A 38 16.968 -1.513 -3.938 1.00 0.00 H new ATOM 0 HE3 TRP A 38 11.679 -0.630 -3.523 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 15.409 -3.471 -5.220 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 11.226 -2.669 -4.828 1.00 0.00 H new ATOM 0 HH2 TRP A 38 13.068 -4.074 -5.658 1.00 0.00 H new ATOM 595 N LYS A 39 11.799 4.227 -2.673 1.00 0.00 N ATOM 596 CA LYS A 39 11.213 5.359 -1.965 1.00 0.00 C ATOM 597 C LYS A 39 10.214 4.885 -0.914 1.00 0.00 C ATOM 598 O LYS A 39 9.222 4.231 -1.235 1.00 0.00 O ATOM 599 CB LYS A 39 10.521 6.302 -2.953 1.00 0.00 C ATOM 600 CG LYS A 39 11.456 7.327 -3.572 1.00 0.00 C ATOM 601 CD LYS A 39 12.482 6.669 -4.479 1.00 0.00 C ATOM 602 CE LYS A 39 13.706 7.552 -4.669 1.00 0.00 C ATOM 603 NZ LYS A 39 14.627 7.482 -3.502 1.00 0.00 N ATOM 0 H LYS A 39 11.235 3.877 -3.448 1.00 0.00 H new ATOM 0 HA LYS A 39 12.017 5.896 -1.461 1.00 0.00 H new ATOM 0 HB2 LYS A 39 10.065 5.711 -3.748 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.713 6.823 -2.440 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.876 8.052 -4.143 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.967 7.878 -2.783 1.00 0.00 H new ATOM 0 HD2 LYS A 39 12.785 5.712 -4.054 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.030 6.458 -5.448 1.00 0.00 H new ATOM 0 HE2 LYS A 39 14.238 7.246 -5.570 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.389 8.584 -4.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 15.448 8.097 -3.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 14.128 7.798 -2.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 14.950 6.502 -3.373 1.00 0.00 H new ATOM 617 N LYS A 40 10.482 5.221 0.343 1.00 0.00 N ATOM 618 CA LYS A 40 9.606 4.833 1.443 1.00 0.00 C ATOM 619 C LYS A 40 8.321 5.654 1.430 1.00 0.00 C ATOM 620 O LYS A 40 8.358 6.882 1.346 1.00 0.00 O ATOM 621 CB LYS A 40 10.324 5.011 2.782 1.00 0.00 C ATOM 622 CG LYS A 40 9.924 3.985 3.828 1.00 0.00 C ATOM 623 CD LYS A 40 8.676 4.415 4.581 1.00 0.00 C ATOM 624 CE LYS A 40 8.686 3.905 6.014 1.00 0.00 C ATOM 625 NZ LYS A 40 9.844 4.439 6.784 1.00 0.00 N ATOM 0 H LYS A 40 11.299 5.762 0.626 1.00 0.00 H new ATOM 0 HA LYS A 40 9.347 3.782 1.314 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.400 4.950 2.619 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.116 6.009 3.166 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.747 3.023 3.347 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.744 3.843 4.532 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.607 5.503 4.581 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.792 4.039 4.066 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.758 4.192 6.508 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.722 2.816 6.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.597 4.488 7.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.664 3.811 6.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.081 5.391 6.439 1.00 0.00 H new ATOM 639 N ARG A 41 7.185 4.969 1.516 1.00 0.00 N ATOM 640 CA ARG A 41 5.889 5.636 1.515 1.00 0.00 C ATOM 641 C ARG A 41 4.847 4.800 2.254 1.00 0.00 C ATOM 642 O ARG A 41 5.112 3.663 2.643 1.00 0.00 O ATOM 643 CB ARG A 41 5.426 5.896 0.080 1.00 0.00 C ATOM 644 CG ARG A 41 5.864 7.244 -0.467 1.00 0.00 C ATOM 645 CD ARG A 41 5.026 8.377 0.106 1.00 0.00 C ATOM 646 NE ARG A 41 5.509 8.807 1.415 1.00 0.00 N ATOM 647 CZ ARG A 41 6.655 9.453 1.600 1.00 0.00 C ATOM 648 NH1 ARG A 41 7.432 9.742 0.564 1.00 0.00 N ATOM 649 NH2 ARG A 41 7.026 9.812 2.822 1.00 0.00 N ATOM 0 H ARG A 41 7.136 3.953 1.587 1.00 0.00 H new ATOM 0 HA ARG A 41 5.999 6.589 2.032 1.00 0.00 H new ATOM 0 HB2 ARG A 41 5.813 5.108 -0.566 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.338 5.834 0.041 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.915 7.411 -0.229 1.00 0.00 H new ATOM 0 HG3 ARG A 41 5.780 7.242 -1.554 1.00 0.00 H new ATOM 0 HD2 ARG A 41 5.041 9.223 -0.582 1.00 0.00 H new ATOM 0 HD3 ARG A 41 3.989 8.054 0.191 1.00 0.00 H new ATOM 0 HE ARG A 41 4.935 8.600 2.232 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.150 9.468 -0.377 1.00 0.00 H new ATOM 0 HH12 ARG A 41 8.311 10.238 0.709 1.00 0.00 H new ATOM 0 HH21 ARG A 41 6.431 9.592 3.621 1.00 0.00 H new ATOM 0 HH22 ARG A 41 7.906 10.308 2.963 1.00 0.00 H new ATOM 663 N TRP A 42 3.663 5.372 2.443 1.00 0.00 N ATOM 664 CA TRP A 42 2.582 4.681 3.135 1.00 0.00 C ATOM 665 C TRP A 42 1.719 3.897 2.152 1.00 0.00 C ATOM 666 O TRP A 42 1.276 4.434 1.136 1.00 0.00 O ATOM 667 CB TRP A 42 1.719 5.681 3.905 1.00 0.00 C ATOM 668 CG TRP A 42 0.688 5.030 4.777 1.00 0.00 C ATOM 669 CD1 TRP A 42 -0.652 5.292 4.797 1.00 0.00 C ATOM 670 CD2 TRP A 42 0.915 4.009 5.755 1.00 0.00 C ATOM 671 NE1 TRP A 42 -1.272 4.496 5.730 1.00 0.00 N ATOM 672 CE2 TRP A 42 -0.333 3.700 6.330 1.00 0.00 C ATOM 673 CE3 TRP A 42 2.049 3.325 6.199 1.00 0.00 C ATOM 674 CZ2 TRP A 42 -0.475 2.737 7.326 1.00 0.00 C ATOM 675 CZ3 TRP A 42 1.907 2.371 7.188 1.00 0.00 C ATOM 676 CH2 TRP A 42 0.652 2.083 7.743 1.00 0.00 C ATOM 0 H TRP A 42 3.428 6.313 2.126 1.00 0.00 H new ATOM 0 HA TRP A 42 3.027 3.978 3.840 1.00 0.00 H new ATOM 0 HB2 TRP A 42 2.364 6.306 4.522 1.00 0.00 H new ATOM 0 HB3 TRP A 42 1.220 6.341 3.195 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.151 6.018 4.172 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.270 4.498 5.941 1.00 0.00 H new ATOM 0 HE3 TRP A 42 3.020 3.538 5.777 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -1.441 2.514 7.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 2.778 1.838 7.540 1.00 0.00 H new ATOM 0 HH2 TRP A 42 0.574 1.331 8.514 1.00 0.00 H new ATOM 687 N PHE A 43 1.484 2.626 2.459 1.00 0.00 N ATOM 688 CA PHE A 43 0.675 1.769 1.601 1.00 0.00 C ATOM 689 C PHE A 43 -0.496 1.172 2.378 1.00 0.00 C ATOM 690 O PHE A 43 -0.464 1.093 3.606 1.00 0.00 O ATOM 691 CB PHE A 43 1.532 0.649 1.008 1.00 0.00 C ATOM 692 CG PHE A 43 2.241 1.042 -0.256 1.00 0.00 C ATOM 693 CD1 PHE A 43 3.416 1.775 -0.209 1.00 0.00 C ATOM 694 CD2 PHE A 43 1.731 0.680 -1.493 1.00 0.00 C ATOM 695 CE1 PHE A 43 4.071 2.138 -1.371 1.00 0.00 C ATOM 696 CE2 PHE A 43 2.382 1.040 -2.658 1.00 0.00 C ATOM 697 CZ PHE A 43 3.552 1.771 -2.597 1.00 0.00 C ATOM 0 H PHE A 43 1.843 2.167 3.296 1.00 0.00 H new ATOM 0 HA PHE A 43 0.277 2.380 0.791 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.270 0.337 1.747 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.898 -0.215 0.806 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.825 2.066 0.747 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.815 0.110 -1.547 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.987 2.708 -1.320 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.976 0.750 -3.616 1.00 0.00 H new ATOM 0 HZ PHE A 43 4.060 2.055 -3.507 1.00 0.00 H new ATOM 707 N VAL A 44 -1.528 0.754 1.652 1.00 0.00 N ATOM 708 CA VAL A 44 -2.709 0.164 2.271 1.00 0.00 C ATOM 709 C VAL A 44 -3.370 -0.847 1.340 1.00 0.00 C ATOM 710 O VAL A 44 -3.537 -0.592 0.147 1.00 0.00 O ATOM 711 CB VAL A 44 -3.739 1.242 2.655 1.00 0.00 C ATOM 712 CG1 VAL A 44 -5.001 0.601 3.213 1.00 0.00 C ATOM 713 CG2 VAL A 44 -3.140 2.219 3.656 1.00 0.00 C ATOM 0 H VAL A 44 -1.570 0.813 0.635 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.373 -0.344 3.175 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.009 1.797 1.757 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.717 1.379 3.479 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.440 -0.054 2.460 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.752 0.019 4.100 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.882 2.974 3.916 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.840 1.681 4.555 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.269 2.703 3.215 1.00 0.00 H new ATOM 723 N LEU A 45 -3.745 -1.995 1.894 1.00 0.00 N ATOM 724 CA LEU A 45 -4.389 -3.045 1.114 1.00 0.00 C ATOM 725 C LEU A 45 -5.885 -3.101 1.406 1.00 0.00 C ATOM 726 O LEU A 45 -6.313 -3.693 2.396 1.00 0.00 O ATOM 727 CB LEU A 45 -3.748 -4.400 1.419 1.00 0.00 C ATOM 728 CG LEU A 45 -3.746 -5.415 0.275 1.00 0.00 C ATOM 729 CD1 LEU A 45 -5.113 -6.066 0.136 1.00 0.00 C ATOM 730 CD2 LEU A 45 -3.336 -4.747 -1.029 1.00 0.00 C ATOM 0 H LEU A 45 -3.614 -2.222 2.880 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.252 -2.814 0.058 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.717 -4.230 1.729 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.268 -4.842 2.269 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.018 -6.193 0.506 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.092 -6.785 -0.683 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.367 -6.579 1.063 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.861 -5.301 -0.072 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.340 -5.484 -1.832 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.039 -3.949 -1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.335 -4.329 -0.925 1.00 0.00 H new ATOM 742 N SER A 46 -6.676 -2.480 0.536 1.00 0.00 N ATOM 743 CA SER A 46 -8.125 -2.457 0.701 1.00 0.00 C ATOM 744 C SER A 46 -8.827 -2.670 -0.637 1.00 0.00 C ATOM 745 O SER A 46 -8.260 -2.407 -1.697 1.00 0.00 O ATOM 746 CB SER A 46 -8.568 -1.128 1.316 1.00 0.00 C ATOM 747 OG SER A 46 -9.743 -1.292 2.091 1.00 0.00 O ATOM 0 H SER A 46 -6.338 -1.986 -0.290 1.00 0.00 H new ATOM 0 HA SER A 46 -8.403 -3.270 1.371 1.00 0.00 H new ATOM 0 HB2 SER A 46 -7.769 -0.728 1.941 1.00 0.00 H new ATOM 0 HB3 SER A 46 -8.749 -0.400 0.525 1.00 0.00 H new ATOM 0 HG SER A 46 -10.095 -0.412 2.342 1.00 0.00 H new ATOM 753 N ASP A 47 -10.065 -3.150 -0.578 1.00 0.00 N ATOM 754 CA ASP A 47 -10.847 -3.398 -1.783 1.00 0.00 C ATOM 755 C ASP A 47 -10.029 -4.174 -2.811 1.00 0.00 C ATOM 756 O ASP A 47 -10.195 -3.991 -4.018 1.00 0.00 O ATOM 757 CB ASP A 47 -11.327 -2.078 -2.387 1.00 0.00 C ATOM 758 CG ASP A 47 -12.131 -2.279 -3.656 1.00 0.00 C ATOM 759 OD1 ASP A 47 -13.109 -3.055 -3.621 1.00 0.00 O ATOM 760 OD2 ASP A 47 -11.782 -1.662 -4.684 1.00 0.00 O ATOM 0 H ASP A 47 -10.548 -3.375 0.292 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.714 -3.998 -1.506 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.936 -1.547 -1.655 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.465 -1.446 -2.603 1.00 0.00 H new ATOM 765 N LEU A 48 -9.145 -5.038 -2.326 1.00 0.00 N ATOM 766 CA LEU A 48 -8.299 -5.842 -3.202 1.00 0.00 C ATOM 767 C LEU A 48 -7.524 -4.956 -4.173 1.00 0.00 C ATOM 768 O LEU A 48 -7.279 -5.338 -5.317 1.00 0.00 O ATOM 769 CB LEU A 48 -9.148 -6.848 -3.981 1.00 0.00 C ATOM 770 CG LEU A 48 -9.895 -7.886 -3.142 1.00 0.00 C ATOM 771 CD1 LEU A 48 -11.121 -8.392 -3.886 1.00 0.00 C ATOM 772 CD2 LEU A 48 -8.974 -9.042 -2.781 1.00 0.00 C ATOM 0 H LEU A 48 -8.995 -5.200 -1.330 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.585 -6.382 -2.581 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.877 -6.296 -4.574 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.500 -7.374 -4.682 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.226 -7.409 -2.220 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -11.640 -9.130 -3.274 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -11.791 -7.557 -4.094 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -10.813 -8.852 -4.825 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.522 -9.771 -2.184 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.613 -9.518 -3.693 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.127 -8.667 -2.207 1.00 0.00 H new ATOM 784 N CYS A 49 -7.140 -3.773 -3.707 1.00 0.00 N ATOM 785 CA CYS A 49 -6.390 -2.833 -4.533 1.00 0.00 C ATOM 786 C CYS A 49 -5.281 -2.165 -3.727 1.00 0.00 C ATOM 787 O CYS A 49 -5.142 -2.403 -2.527 1.00 0.00 O ATOM 788 CB CYS A 49 -7.327 -1.771 -5.112 1.00 0.00 C ATOM 789 SG CYS A 49 -8.718 -2.446 -6.049 1.00 0.00 S ATOM 0 H CYS A 49 -7.335 -3.442 -2.762 1.00 0.00 H new ATOM 0 HA CYS A 49 -5.934 -3.390 -5.351 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -7.714 -1.160 -4.297 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -6.753 -1.110 -5.761 1.00 0.00 H new ATOM 0 HG CYS A 49 -9.440 -3.198 -5.272 1.00 0.00 H new ATOM 795 N LEU A 50 -4.493 -1.329 -4.394 1.00 0.00 N ATOM 796 CA LEU A 50 -3.394 -0.627 -3.741 1.00 0.00 C ATOM 797 C LEU A 50 -3.712 0.857 -3.584 1.00 0.00 C ATOM 798 O LEU A 50 -4.202 1.499 -4.514 1.00 0.00 O ATOM 799 CB LEU A 50 -2.103 -0.802 -4.542 1.00 0.00 C ATOM 800 CG LEU A 50 -1.240 -2.007 -4.169 1.00 0.00 C ATOM 801 CD1 LEU A 50 0.089 -1.961 -4.907 1.00 0.00 C ATOM 802 CD2 LEU A 50 -1.015 -2.057 -2.665 1.00 0.00 C ATOM 0 H LEU A 50 -4.595 -1.121 -5.387 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.259 -1.058 -2.749 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.362 -0.879 -5.598 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.502 0.100 -4.426 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.767 -2.913 -4.468 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.690 -2.827 -4.629 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.091 -1.975 -5.982 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.622 -1.049 -4.640 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.399 -2.921 -2.418 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.510 -1.147 -2.342 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.975 -2.139 -2.156 1.00 0.00 H new ATOM 814 N PHE A 51 -3.428 1.396 -2.404 1.00 0.00 N ATOM 815 CA PHE A 51 -3.682 2.805 -2.125 1.00 0.00 C ATOM 816 C PHE A 51 -2.597 3.386 -1.223 1.00 0.00 C ATOM 817 O PHE A 51 -2.306 2.844 -0.157 1.00 0.00 O ATOM 818 CB PHE A 51 -5.054 2.977 -1.469 1.00 0.00 C ATOM 819 CG PHE A 51 -6.199 2.617 -2.371 1.00 0.00 C ATOM 820 CD1 PHE A 51 -6.407 3.303 -3.557 1.00 0.00 C ATOM 821 CD2 PHE A 51 -7.069 1.593 -2.033 1.00 0.00 C ATOM 822 CE1 PHE A 51 -7.460 2.974 -4.390 1.00 0.00 C ATOM 823 CE2 PHE A 51 -8.124 1.260 -2.862 1.00 0.00 C ATOM 824 CZ PHE A 51 -8.320 1.952 -4.041 1.00 0.00 C ATOM 0 H PHE A 51 -3.022 0.879 -1.625 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.669 3.345 -3.072 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.099 2.358 -0.573 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.167 4.012 -1.147 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -5.738 4.105 -3.834 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -6.921 1.049 -1.112 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -7.610 3.516 -5.312 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -8.795 0.459 -2.588 1.00 0.00 H new ATOM 0 HZ PHE A 51 -9.145 1.694 -4.689 1.00 0.00 H new ATOM 834 N TYR A 52 -2.003 4.491 -1.659 1.00 0.00 N ATOM 835 CA TYR A 52 -0.948 5.144 -0.893 1.00 0.00 C ATOM 836 C TYR A 52 -1.253 6.627 -0.702 1.00 0.00 C ATOM 837 O TYR A 52 -2.045 7.210 -1.442 1.00 0.00 O ATOM 838 CB TYR A 52 0.400 4.975 -1.596 1.00 0.00 C ATOM 839 CG TYR A 52 0.351 5.264 -3.079 1.00 0.00 C ATOM 840 CD1 TYR A 52 0.429 6.567 -3.556 1.00 0.00 C ATOM 841 CD2 TYR A 52 0.224 4.235 -4.003 1.00 0.00 C ATOM 842 CE1 TYR A 52 0.384 6.836 -4.910 1.00 0.00 C ATOM 843 CE2 TYR A 52 0.179 4.494 -5.360 1.00 0.00 C ATOM 844 CZ TYR A 52 0.259 5.796 -5.808 1.00 0.00 C ATOM 845 OH TYR A 52 0.213 6.058 -7.158 1.00 0.00 O ATOM 0 H TYR A 52 -2.234 4.953 -2.538 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.900 4.672 0.088 1.00 0.00 H new ATOM 0 HB2 TYR A 52 1.129 5.638 -1.129 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.754 3.955 -1.445 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.526 7.383 -2.856 1.00 0.00 H new ATOM 0 HD2 TYR A 52 0.159 3.215 -3.655 1.00 0.00 H new ATOM 0 HE1 TYR A 52 0.446 7.855 -5.264 1.00 0.00 H new ATOM 0 HE2 TYR A 52 0.082 3.682 -6.065 1.00 0.00 H new ATOM 0 HH TYR A 52 0.124 5.216 -7.652 1.00 0.00 H new ATOM 855 N TYR A 53 -0.617 7.230 0.296 1.00 0.00 N ATOM 856 CA TYR A 53 -0.820 8.644 0.588 1.00 0.00 C ATOM 857 C TYR A 53 0.490 9.309 1.000 1.00 0.00 C ATOM 858 O TYR A 53 1.455 8.634 1.359 1.00 0.00 O ATOM 859 CB TYR A 53 -1.862 8.814 1.695 1.00 0.00 C ATOM 860 CG TYR A 53 -2.948 7.762 1.671 1.00 0.00 C ATOM 861 CD1 TYR A 53 -2.665 6.435 1.970 1.00 0.00 C ATOM 862 CD2 TYR A 53 -4.258 8.096 1.350 1.00 0.00 C ATOM 863 CE1 TYR A 53 -3.654 5.471 1.948 1.00 0.00 C ATOM 864 CE2 TYR A 53 -5.254 7.139 1.328 1.00 0.00 C ATOM 865 CZ TYR A 53 -4.947 5.828 1.627 1.00 0.00 C ATOM 866 OH TYR A 53 -5.935 4.871 1.606 1.00 0.00 O ATOM 0 H TYR A 53 0.043 6.762 0.916 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.182 9.128 -0.319 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.360 8.784 2.662 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.320 9.799 1.603 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.654 6.152 2.224 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.502 9.121 1.114 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.416 4.444 2.181 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.268 7.416 1.078 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.788 5.287 1.363 1.00 0.00 H new ATOM 876 N ARG A 54 0.514 10.636 0.947 1.00 0.00 N ATOM 877 CA ARG A 54 1.705 11.394 1.314 1.00 0.00 C ATOM 878 C ARG A 54 2.365 10.801 2.555 1.00 0.00 C ATOM 879 O ARG A 54 3.572 10.559 2.573 1.00 0.00 O ATOM 880 CB ARG A 54 1.345 12.859 1.565 1.00 0.00 C ATOM 881 CG ARG A 54 1.295 13.700 0.299 1.00 0.00 C ATOM 882 CD ARG A 54 1.612 15.159 0.586 1.00 0.00 C ATOM 883 NE ARG A 54 1.678 15.955 -0.636 1.00 0.00 N ATOM 884 CZ ARG A 54 1.969 17.251 -0.654 1.00 0.00 C ATOM 885 NH1 ARG A 54 2.220 17.894 0.478 1.00 0.00 N ATOM 886 NH2 ARG A 54 2.010 17.908 -1.807 1.00 0.00 N ATOM 0 H ARG A 54 -0.277 11.209 0.654 1.00 0.00 H new ATOM 0 HA ARG A 54 2.411 11.337 0.486 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.375 12.906 2.061 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.075 13.291 2.250 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.007 13.308 -0.428 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.305 13.623 -0.151 1.00 0.00 H new ATOM 0 HD2 ARG A 54 0.850 15.572 1.247 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.563 15.226 1.114 1.00 0.00 H new ATOM 0 HE ARG A 54 1.490 15.491 -1.525 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.190 17.394 1.366 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.443 18.889 0.461 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.818 17.418 -2.681 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.234 18.903 -1.819 1.00 0.00 H new ATOM 900 N ASP A 55 1.566 10.571 3.591 1.00 0.00 N ATOM 901 CA ASP A 55 2.072 10.006 4.837 1.00 0.00 C ATOM 902 C ASP A 55 0.982 9.219 5.558 1.00 0.00 C ATOM 903 O ASP A 55 -0.132 9.079 5.055 1.00 0.00 O ATOM 904 CB ASP A 55 2.603 11.116 5.746 1.00 0.00 C ATOM 905 CG ASP A 55 1.843 12.416 5.577 1.00 0.00 C ATOM 906 OD1 ASP A 55 0.608 12.363 5.398 1.00 0.00 O ATOM 907 OD2 ASP A 55 2.483 13.488 5.623 1.00 0.00 O ATOM 0 H ASP A 55 0.565 10.767 3.593 1.00 0.00 H new ATOM 0 HA ASP A 55 2.887 9.325 4.594 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.538 10.793 6.785 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.658 11.285 5.530 1.00 0.00 H new ATOM 912 N GLU A 56 1.314 8.706 6.739 1.00 0.00 N ATOM 913 CA GLU A 56 0.364 7.930 7.528 1.00 0.00 C ATOM 914 C GLU A 56 -0.902 8.737 7.801 1.00 0.00 C ATOM 915 O GLU A 56 -1.945 8.180 8.145 1.00 0.00 O ATOM 916 CB GLU A 56 1.000 7.496 8.850 1.00 0.00 C ATOM 917 CG GLU A 56 1.675 8.630 9.603 1.00 0.00 C ATOM 918 CD GLU A 56 2.215 8.195 10.951 1.00 0.00 C ATOM 919 OE1 GLU A 56 1.418 8.098 11.907 1.00 0.00 O ATOM 920 OE2 GLU A 56 3.436 7.952 11.050 1.00 0.00 O ATOM 0 H GLU A 56 2.232 8.814 7.170 1.00 0.00 H new ATOM 0 HA GLU A 56 0.093 7.043 6.955 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.232 7.056 9.486 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.735 6.716 8.651 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.492 9.026 9.000 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.961 9.441 9.746 1.00 0.00 H new ATOM 927 N LYS A 57 -0.804 10.053 7.645 1.00 0.00 N ATOM 928 CA LYS A 57 -1.940 10.938 7.874 1.00 0.00 C ATOM 929 C LYS A 57 -3.101 10.581 6.952 1.00 0.00 C ATOM 930 O LYS A 57 -4.230 11.026 7.161 1.00 0.00 O ATOM 931 CB LYS A 57 -1.529 12.396 7.653 1.00 0.00 C ATOM 932 CG LYS A 57 -0.309 12.812 8.457 1.00 0.00 C ATOM 933 CD LYS A 57 -0.341 14.294 8.791 1.00 0.00 C ATOM 934 CE LYS A 57 0.671 14.644 9.870 1.00 0.00 C ATOM 935 NZ LYS A 57 0.427 15.998 10.441 1.00 0.00 N ATOM 0 H LYS A 57 0.051 10.530 7.361 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.266 10.811 8.906 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.326 12.551 6.593 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.365 13.044 7.915 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.264 12.231 9.378 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.595 12.585 7.892 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.132 14.875 7.893 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.341 14.571 9.125 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.625 13.901 10.666 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.677 14.602 9.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.138 16.199 11.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.496 16.710 9.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.523 16.031 10.863 1.00 0.00 H new ATOM 949 N GLU A 58 -2.817 9.775 5.934 1.00 0.00 N ATOM 950 CA GLU A 58 -3.840 9.359 4.981 1.00 0.00 C ATOM 951 C GLU A 58 -4.693 10.547 4.545 1.00 0.00 C ATOM 952 O GLU A 58 -5.921 10.491 4.589 1.00 0.00 O ATOM 953 CB GLU A 58 -4.730 8.277 5.595 1.00 0.00 C ATOM 954 CG GLU A 58 -4.199 6.867 5.398 1.00 0.00 C ATOM 955 CD GLU A 58 -4.890 5.853 6.288 1.00 0.00 C ATOM 956 OE1 GLU A 58 -5.274 6.219 7.419 1.00 0.00 O ATOM 957 OE2 GLU A 58 -5.047 4.693 5.853 1.00 0.00 O ATOM 0 H GLU A 58 -1.888 9.397 5.748 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.338 8.952 4.103 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.838 8.470 6.662 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.726 8.346 5.157 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.328 6.577 4.355 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.128 6.854 5.602 1.00 0.00 H new ATOM 964 N GLU A 59 -4.031 11.620 4.124 1.00 0.00 N ATOM 965 CA GLU A 59 -4.728 12.822 3.681 1.00 0.00 C ATOM 966 C GLU A 59 -4.763 12.900 2.158 1.00 0.00 C ATOM 967 O GLU A 59 -3.854 13.444 1.532 1.00 0.00 O ATOM 968 CB GLU A 59 -4.051 14.071 4.251 1.00 0.00 C ATOM 969 CG GLU A 59 -4.242 14.236 5.749 1.00 0.00 C ATOM 970 CD GLU A 59 -4.034 15.666 6.210 1.00 0.00 C ATOM 971 OE1 GLU A 59 -4.205 16.585 5.382 1.00 0.00 O ATOM 972 OE2 GLU A 59 -3.701 15.865 7.396 1.00 0.00 O ATOM 0 H GLU A 59 -3.014 11.682 4.080 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.753 12.773 4.049 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.984 14.028 4.032 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.445 14.951 3.744 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.247 13.913 6.021 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.544 13.584 6.274 1.00 0.00 H new ATOM 979 N GLY A 60 -5.820 12.351 1.567 1.00 0.00 N ATOM 980 CA GLY A 60 -5.955 12.368 0.122 1.00 0.00 C ATOM 981 C GLY A 60 -4.991 11.419 -0.561 1.00 0.00 C ATOM 982 O GLY A 60 -3.789 11.447 -0.295 1.00 0.00 O ATOM 0 H GLY A 60 -6.585 11.895 2.063 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.976 12.100 -0.148 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.784 13.380 -0.244 1.00 0.00 H new ATOM 986 N ILE A 61 -5.518 10.576 -1.443 1.00 0.00 N ATOM 987 CA ILE A 61 -4.695 9.614 -2.165 1.00 0.00 C ATOM 988 C ILE A 61 -4.015 10.264 -3.365 1.00 0.00 C ATOM 989 O ILE A 61 -4.662 10.933 -4.172 1.00 0.00 O ATOM 990 CB ILE A 61 -5.528 8.412 -2.650 1.00 0.00 C ATOM 991 CG1 ILE A 61 -6.037 7.602 -1.456 1.00 0.00 C ATOM 992 CG2 ILE A 61 -4.702 7.535 -3.579 1.00 0.00 C ATOM 993 CD1 ILE A 61 -7.111 6.601 -1.819 1.00 0.00 C ATOM 0 H ILE A 61 -6.511 10.540 -1.675 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.936 9.261 -1.467 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.388 8.785 -3.205 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.199 7.074 -1.001 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.429 8.286 -0.704 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.304 6.690 -3.913 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.384 8.118 -4.443 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.824 7.167 -3.047 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.424 6.063 -0.924 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.967 7.124 -2.246 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.717 5.893 -2.549 1.00 0.00 H new ATOM 1005 N LEU A 62 -2.707 10.061 -3.478 1.00 0.00 N ATOM 1006 CA LEU A 62 -1.938 10.626 -4.582 1.00 0.00 C ATOM 1007 C LEU A 62 -2.100 9.786 -5.845 1.00 0.00 C ATOM 1008 O LEU A 62 -2.016 10.300 -6.959 1.00 0.00 O ATOM 1009 CB LEU A 62 -0.458 10.718 -4.204 1.00 0.00 C ATOM 1010 CG LEU A 62 -0.157 10.930 -2.720 1.00 0.00 C ATOM 1011 CD1 LEU A 62 1.317 11.247 -2.515 1.00 0.00 C ATOM 1012 CD2 LEU A 62 -1.027 12.042 -2.153 1.00 0.00 C ATOM 0 H LEU A 62 -2.157 9.510 -2.819 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.319 11.627 -4.782 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.037 9.802 -4.527 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.010 11.538 -4.766 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.387 10.008 -2.186 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.513 11.395 -1.453 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.922 10.419 -2.884 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.573 12.155 -3.061 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.799 12.179 -1.096 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.828 12.969 -2.690 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.078 11.775 -2.266 1.00 0.00 H new ATOM 1024 N GLY A 63 -2.336 8.490 -5.662 1.00 0.00 N ATOM 1025 CA GLY A 63 -2.509 7.600 -6.795 1.00 0.00 C ATOM 1026 C GLY A 63 -2.915 6.201 -6.377 1.00 0.00 C ATOM 1027 O GLY A 63 -2.434 5.684 -5.368 1.00 0.00 O ATOM 0 H GLY A 63 -2.410 8.041 -4.749 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.266 8.010 -7.463 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.578 7.551 -7.360 1.00 0.00 H new ATOM 1031 N SER A 64 -3.803 5.587 -7.152 1.00 0.00 N ATOM 1032 CA SER A 64 -4.277 4.241 -6.853 1.00 0.00 C ATOM 1033 C SER A 64 -3.718 3.233 -7.853 1.00 0.00 C ATOM 1034 O SER A 64 -3.453 3.570 -9.008 1.00 0.00 O ATOM 1035 CB SER A 64 -5.806 4.200 -6.873 1.00 0.00 C ATOM 1036 OG SER A 64 -6.317 4.780 -8.061 1.00 0.00 O ATOM 0 H SER A 64 -4.209 6.000 -7.992 1.00 0.00 H new ATOM 0 HA SER A 64 -3.926 3.972 -5.857 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.146 3.167 -6.793 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.198 4.733 -6.007 1.00 0.00 H new ATOM 0 HG SER A 64 -7.296 4.740 -8.050 1.00 0.00 H new ATOM 1042 N ILE A 65 -3.540 1.997 -7.400 1.00 0.00 N ATOM 1043 CA ILE A 65 -3.013 0.940 -8.254 1.00 0.00 C ATOM 1044 C ILE A 65 -3.893 -0.304 -8.196 1.00 0.00 C ATOM 1045 O ILE A 65 -4.250 -0.775 -7.115 1.00 0.00 O ATOM 1046 CB ILE A 65 -1.575 0.557 -7.855 1.00 0.00 C ATOM 1047 CG1 ILE A 65 -0.587 1.618 -8.344 1.00 0.00 C ATOM 1048 CG2 ILE A 65 -1.215 -0.809 -8.418 1.00 0.00 C ATOM 1049 CD1 ILE A 65 0.780 1.510 -7.707 1.00 0.00 C ATOM 0 H ILE A 65 -3.753 1.703 -6.447 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.007 1.331 -9.271 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.517 0.507 -6.768 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.482 1.534 -9.426 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.997 2.607 -8.139 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.196 -1.065 -8.127 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.903 -1.557 -8.025 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.287 -0.785 -9.505 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.428 2.293 -8.101 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.688 1.624 -6.627 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.211 0.535 -7.934 1.00 0.00 H new ATOM 1061 N LEU A 66 -4.237 -0.834 -9.364 1.00 0.00 N ATOM 1062 CA LEU A 66 -5.074 -2.026 -9.447 1.00 0.00 C ATOM 1063 C LEU A 66 -4.226 -3.292 -9.393 1.00 0.00 C ATOM 1064 O LEU A 66 -3.477 -3.591 -10.324 1.00 0.00 O ATOM 1065 CB LEU A 66 -5.899 -2.006 -10.735 1.00 0.00 C ATOM 1066 CG LEU A 66 -7.279 -1.355 -10.638 1.00 0.00 C ATOM 1067 CD1 LEU A 66 -8.198 -2.182 -9.752 1.00 0.00 C ATOM 1068 CD2 LEU A 66 -7.163 0.067 -10.109 1.00 0.00 C ATOM 0 H LEU A 66 -3.949 -0.457 -10.267 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.749 -2.026 -8.591 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.326 -1.484 -11.502 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -6.027 -3.033 -11.077 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.711 -1.315 -11.638 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.176 -1.703 -9.695 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.307 -3.181 -10.174 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.770 -2.255 -8.752 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.155 0.514 -10.047 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.710 0.051 -9.118 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.541 0.656 -10.783 1.00 0.00 H new ATOM 1080 N LEU A 67 -4.349 -4.034 -8.298 1.00 0.00 N ATOM 1081 CA LEU A 67 -3.594 -5.271 -8.123 1.00 0.00 C ATOM 1082 C LEU A 67 -4.142 -6.374 -9.021 1.00 0.00 C ATOM 1083 O LEU A 67 -3.396 -7.145 -9.625 1.00 0.00 O ATOM 1084 CB LEU A 67 -3.642 -5.717 -6.660 1.00 0.00 C ATOM 1085 CG LEU A 67 -2.685 -4.999 -5.708 1.00 0.00 C ATOM 1086 CD1 LEU A 67 -2.995 -5.364 -4.265 1.00 0.00 C ATOM 1087 CD2 LEU A 67 -1.241 -5.337 -6.048 1.00 0.00 C ATOM 0 H LEU A 67 -4.964 -3.801 -7.518 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.559 -5.080 -8.405 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.659 -5.580 -6.292 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.429 -6.785 -6.619 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.823 -3.924 -5.827 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.304 -4.844 -3.602 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.017 -5.070 -4.027 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.886 -6.440 -4.130 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.574 -4.817 -5.360 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.088 -6.413 -5.958 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.025 -5.024 -7.069 1.00 0.00 H new ATOM 1099 N PRO A 68 -5.478 -6.453 -9.115 1.00 0.00 N ATOM 1100 CA PRO A 68 -6.156 -7.457 -9.941 1.00 0.00 C ATOM 1101 C PRO A 68 -5.568 -7.546 -11.345 1.00 0.00 C ATOM 1102 O PRO A 68 -5.653 -8.585 -11.999 1.00 0.00 O ATOM 1103 CB PRO A 68 -7.601 -6.954 -9.996 1.00 0.00 C ATOM 1104 CG PRO A 68 -7.769 -6.149 -8.754 1.00 0.00 C ATOM 1105 CD PRO A 68 -6.429 -5.567 -8.424 1.00 0.00 C ATOM 0 HA PRO A 68 -6.055 -8.461 -9.528 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.776 -6.350 -10.886 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -8.308 -7.783 -10.029 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -8.506 -5.360 -8.903 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.130 -6.773 -7.936 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -6.343 -4.538 -8.774 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.253 -5.554 -7.348 1.00 0.00 H new ATOM 1113 N SER A 69 -4.972 -6.449 -11.803 1.00 0.00 N ATOM 1114 CA SER A 69 -4.373 -6.403 -13.131 1.00 0.00 C ATOM 1115 C SER A 69 -2.889 -6.750 -13.070 1.00 0.00 C ATOM 1116 O SER A 69 -2.308 -7.218 -14.050 1.00 0.00 O ATOM 1117 CB SER A 69 -4.559 -5.016 -13.750 1.00 0.00 C ATOM 1118 OG SER A 69 -5.897 -4.823 -14.175 1.00 0.00 O ATOM 0 H SER A 69 -4.891 -5.581 -11.274 1.00 0.00 H new ATOM 0 HA SER A 69 -4.876 -7.142 -13.755 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.291 -4.250 -13.022 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.884 -4.899 -14.598 1.00 0.00 H new ATOM 0 HG SER A 69 -5.991 -3.929 -14.565 1.00 0.00 H new ATOM 1124 N PHE A 70 -2.280 -6.517 -11.912 1.00 0.00 N ATOM 1125 CA PHE A 70 -0.863 -6.803 -11.722 1.00 0.00 C ATOM 1126 C PHE A 70 -0.639 -8.290 -11.464 1.00 0.00 C ATOM 1127 O PHE A 70 -1.528 -8.987 -10.975 1.00 0.00 O ATOM 1128 CB PHE A 70 -0.307 -5.982 -10.556 1.00 0.00 C ATOM 1129 CG PHE A 70 0.244 -4.648 -10.972 1.00 0.00 C ATOM 1130 CD1 PHE A 70 1.390 -4.568 -11.746 1.00 0.00 C ATOM 1131 CD2 PHE A 70 -0.386 -3.475 -10.589 1.00 0.00 C ATOM 1132 CE1 PHE A 70 1.899 -3.341 -12.129 1.00 0.00 C ATOM 1133 CE2 PHE A 70 0.119 -2.245 -10.969 1.00 0.00 C ATOM 1134 CZ PHE A 70 1.262 -2.179 -11.741 1.00 0.00 C ATOM 0 H PHE A 70 -2.746 -6.131 -11.091 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.336 -6.527 -12.635 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -1.097 -5.827 -9.822 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.479 -6.553 -10.062 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.891 -5.474 -12.054 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -1.281 -3.522 -9.987 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.794 -3.291 -12.731 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -0.380 -1.337 -10.662 1.00 0.00 H new ATOM 0 HZ PHE A 70 1.657 -1.220 -12.041 1.00 0.00 H new ATOM 1144 N GLN A 71 0.556 -8.769 -11.797 1.00 0.00 N ATOM 1145 CA GLN A 71 0.897 -10.173 -11.603 1.00 0.00 C ATOM 1146 C GLN A 71 2.079 -10.319 -10.651 1.00 0.00 C ATOM 1147 O GLN A 71 3.210 -9.972 -10.993 1.00 0.00 O ATOM 1148 CB GLN A 71 1.223 -10.831 -12.945 1.00 0.00 C ATOM 1149 CG GLN A 71 2.204 -11.987 -12.834 1.00 0.00 C ATOM 1150 CD GLN A 71 2.203 -12.874 -14.063 1.00 0.00 C ATOM 1151 OE1 GLN A 71 1.709 -12.486 -15.122 1.00 0.00 O ATOM 1152 NE2 GLN A 71 2.757 -14.073 -13.928 1.00 0.00 N ATOM 0 H GLN A 71 1.303 -8.205 -12.202 1.00 0.00 H new ATOM 0 HA GLN A 71 0.035 -10.673 -11.162 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.299 -11.192 -13.397 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.635 -10.079 -13.618 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.208 -11.593 -12.676 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.956 -12.586 -11.958 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.155 -14.353 -13.031 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.785 -14.714 -14.721 1.00 0.00 H new ATOM 1161 N ILE A 72 1.810 -10.835 -9.456 1.00 0.00 N ATOM 1162 CA ILE A 72 2.852 -11.028 -8.456 1.00 0.00 C ATOM 1163 C ILE A 72 3.652 -12.296 -8.732 1.00 0.00 C ATOM 1164 O ILE A 72 3.101 -13.396 -8.758 1.00 0.00 O ATOM 1165 CB ILE A 72 2.262 -11.106 -7.035 1.00 0.00 C ATOM 1166 CG1 ILE A 72 1.020 -10.218 -6.927 1.00 0.00 C ATOM 1167 CG2 ILE A 72 3.304 -10.697 -6.005 1.00 0.00 C ATOM 1168 CD1 ILE A 72 1.245 -8.802 -7.408 1.00 0.00 C ATOM 0 H ILE A 72 0.879 -11.127 -9.157 1.00 0.00 H new ATOM 0 HA ILE A 72 3.513 -10.164 -8.519 1.00 0.00 H new ATOM 0 HB ILE A 72 1.968 -12.136 -6.835 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.212 -10.666 -7.506 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.691 -10.192 -5.888 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.872 -10.757 -5.006 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.162 -11.366 -6.070 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.626 -9.674 -6.200 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.323 -8.231 -7.302 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.031 -8.336 -6.813 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.544 -8.817 -8.456 1.00 0.00 H new ATOM 1180 N ALA A 73 4.956 -12.135 -8.936 1.00 0.00 N ATOM 1181 CA ALA A 73 5.832 -13.267 -9.206 1.00 0.00 C ATOM 1182 C ALA A 73 7.228 -13.029 -8.639 1.00 0.00 C ATOM 1183 O ALA A 73 7.788 -11.940 -8.778 1.00 0.00 O ATOM 1184 CB ALA A 73 5.907 -13.531 -10.703 1.00 0.00 C ATOM 0 H ALA A 73 5.428 -11.231 -8.919 1.00 0.00 H new ATOM 0 HA ALA A 73 5.413 -14.144 -8.713 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.565 -14.380 -10.890 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.910 -13.754 -11.084 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.300 -12.649 -11.209 1.00 0.00 H new ATOM 1190 N LEU A 74 7.784 -14.051 -8.000 1.00 0.00 N ATOM 1191 CA LEU A 74 9.115 -13.953 -7.410 1.00 0.00 C ATOM 1192 C LEU A 74 10.143 -13.532 -8.455 1.00 0.00 C ATOM 1193 O LEU A 74 10.158 -14.051 -9.572 1.00 0.00 O ATOM 1194 CB LEU A 74 9.520 -15.291 -6.790 1.00 0.00 C ATOM 1195 CG LEU A 74 9.127 -15.499 -5.327 1.00 0.00 C ATOM 1196 CD1 LEU A 74 9.785 -14.450 -4.444 1.00 0.00 C ATOM 1197 CD2 LEU A 74 7.614 -15.460 -5.170 1.00 0.00 C ATOM 0 H LEU A 74 7.334 -14.958 -7.877 1.00 0.00 H new ATOM 0 HA LEU A 74 9.085 -13.193 -6.629 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.077 -16.092 -7.382 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.602 -15.395 -6.873 1.00 0.00 H new ATOM 0 HG LEU A 74 9.479 -16.481 -5.012 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.494 -14.613 -3.406 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.869 -14.527 -4.533 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.465 -13.457 -4.758 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.353 -15.610 -4.122 1.00 0.00 H new ATOM 0 HD22 LEU A 74 7.238 -14.492 -5.503 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.165 -16.250 -5.772 1.00 0.00 H new ATOM 1209 N LEU A 75 11.003 -12.589 -8.085 1.00 0.00 N ATOM 1210 CA LEU A 75 12.037 -12.099 -8.989 1.00 0.00 C ATOM 1211 C LEU A 75 12.778 -13.258 -9.648 1.00 0.00 C ATOM 1212 O LEU A 75 12.759 -14.384 -9.152 1.00 0.00 O ATOM 1213 CB LEU A 75 13.026 -11.211 -8.231 1.00 0.00 C ATOM 1214 CG LEU A 75 12.429 -9.997 -7.519 1.00 0.00 C ATOM 1215 CD1 LEU A 75 13.512 -9.223 -6.784 1.00 0.00 C ATOM 1216 CD2 LEU A 75 11.708 -9.097 -8.512 1.00 0.00 C ATOM 0 H LEU A 75 11.004 -12.149 -7.165 1.00 0.00 H new ATOM 0 HA LEU A 75 11.554 -11.510 -9.769 1.00 0.00 H new ATOM 0 HB2 LEU A 75 13.541 -11.824 -7.491 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.781 -10.860 -8.934 1.00 0.00 H new ATOM 0 HG LEU A 75 11.703 -10.350 -6.786 1.00 0.00 H new ATOM 0 HD11 LEU A 75 13.068 -8.363 -6.283 1.00 0.00 H new ATOM 0 HD12 LEU A 75 13.983 -9.870 -6.044 1.00 0.00 H new ATOM 0 HD13 LEU A 75 14.262 -8.881 -7.497 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.289 -8.238 -7.987 1.00 0.00 H new ATOM 0 HD22 LEU A 75 12.413 -8.752 -9.269 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.905 -9.655 -8.992 1.00 0.00 H new ATOM 1377 N TYR A 85 14.854 -10.465 -0.958 1.00 0.00 N ATOM 1378 CA TYR A 85 13.582 -10.502 -0.247 1.00 0.00 C ATOM 1379 C TYR A 85 12.588 -9.518 -0.856 1.00 0.00 C ATOM 1380 O TYR A 85 11.794 -8.901 -0.147 1.00 0.00 O ATOM 1381 CB TYR A 85 13.792 -10.180 1.234 1.00 0.00 C ATOM 1382 CG TYR A 85 14.443 -11.302 2.010 1.00 0.00 C ATOM 1383 CD1 TYR A 85 15.594 -11.922 1.540 1.00 0.00 C ATOM 1384 CD2 TYR A 85 13.907 -11.743 3.214 1.00 0.00 C ATOM 1385 CE1 TYR A 85 16.192 -12.948 2.246 1.00 0.00 C ATOM 1386 CE2 TYR A 85 14.499 -12.768 3.927 1.00 0.00 C ATOM 1387 CZ TYR A 85 15.641 -13.367 3.439 1.00 0.00 C ATOM 1388 OH TYR A 85 16.233 -14.389 4.146 1.00 0.00 O ATOM 0 HA TYR A 85 13.173 -11.508 -0.339 1.00 0.00 H new ATOM 0 HB2 TYR A 85 14.408 -9.285 1.319 1.00 0.00 H new ATOM 0 HB3 TYR A 85 12.828 -9.947 1.687 1.00 0.00 H new ATOM 0 HD1 TYR A 85 16.029 -11.596 0.607 1.00 0.00 H new ATOM 0 HD2 TYR A 85 13.012 -11.277 3.599 1.00 0.00 H new ATOM 0 HE1 TYR A 85 17.086 -13.419 1.866 1.00 0.00 H new ATOM 0 HE2 TYR A 85 14.070 -13.098 4.861 1.00 0.00 H new ATOM 0 HH TYR A 85 15.721 -14.561 4.963 1.00 0.00 H new ATOM 1398 N ALA A 86 12.639 -9.377 -2.177 1.00 0.00 N ATOM 1399 CA ALA A 86 11.742 -8.471 -2.884 1.00 0.00 C ATOM 1400 C ALA A 86 11.027 -9.186 -4.025 1.00 0.00 C ATOM 1401 O ALA A 86 11.448 -10.258 -4.460 1.00 0.00 O ATOM 1402 CB ALA A 86 12.514 -7.270 -3.411 1.00 0.00 C ATOM 0 H ALA A 86 13.292 -9.879 -2.779 1.00 0.00 H new ATOM 0 HA ALA A 86 10.987 -8.123 -2.179 1.00 0.00 H new ATOM 0 HB1 ALA A 86 11.832 -6.602 -3.937 1.00 0.00 H new ATOM 0 HB2 ALA A 86 12.973 -6.738 -2.578 1.00 0.00 H new ATOM 0 HB3 ALA A 86 13.291 -7.609 -4.097 1.00 0.00 H new ATOM 1408 N PHE A 87 9.943 -8.586 -4.506 1.00 0.00 N ATOM 1409 CA PHE A 87 9.168 -9.167 -5.597 1.00 0.00 C ATOM 1410 C PHE A 87 8.889 -8.128 -6.679 1.00 0.00 C ATOM 1411 O PHE A 87 9.344 -6.987 -6.593 1.00 0.00 O ATOM 1412 CB PHE A 87 7.850 -9.735 -5.067 1.00 0.00 C ATOM 1413 CG PHE A 87 7.238 -8.909 -3.972 1.00 0.00 C ATOM 1414 CD1 PHE A 87 7.757 -8.943 -2.688 1.00 0.00 C ATOM 1415 CD2 PHE A 87 6.143 -8.100 -4.227 1.00 0.00 C ATOM 1416 CE1 PHE A 87 7.197 -8.184 -1.678 1.00 0.00 C ATOM 1417 CE2 PHE A 87 5.578 -7.339 -3.221 1.00 0.00 C ATOM 1418 CZ PHE A 87 6.105 -7.382 -1.945 1.00 0.00 C ATOM 0 H PHE A 87 9.581 -7.698 -4.158 1.00 0.00 H new ATOM 0 HA PHE A 87 9.753 -9.975 -6.036 1.00 0.00 H new ATOM 0 HB2 PHE A 87 7.141 -9.815 -5.891 1.00 0.00 H new ATOM 0 HB3 PHE A 87 8.022 -10.745 -4.696 1.00 0.00 H new ATOM 0 HD1 PHE A 87 8.610 -9.570 -2.474 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.726 -8.063 -5.223 1.00 0.00 H new ATOM 0 HE1 PHE A 87 7.613 -8.218 -0.682 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.725 -6.711 -3.433 1.00 0.00 H new ATOM 0 HZ PHE A 87 5.664 -6.789 -1.157 1.00 0.00 H new ATOM 1428 N LYS A 88 8.138 -8.531 -7.698 1.00 0.00 N ATOM 1429 CA LYS A 88 7.796 -7.637 -8.798 1.00 0.00 C ATOM 1430 C LYS A 88 6.389 -7.923 -9.314 1.00 0.00 C ATOM 1431 O LYS A 88 5.899 -9.048 -9.217 1.00 0.00 O ATOM 1432 CB LYS A 88 8.808 -7.785 -9.936 1.00 0.00 C ATOM 1433 CG LYS A 88 8.808 -9.162 -10.575 1.00 0.00 C ATOM 1434 CD LYS A 88 9.557 -9.164 -11.897 1.00 0.00 C ATOM 1435 CE LYS A 88 9.050 -10.258 -12.824 1.00 0.00 C ATOM 1436 NZ LYS A 88 10.066 -10.635 -13.845 1.00 0.00 N ATOM 0 H LYS A 88 7.754 -9.472 -7.785 1.00 0.00 H new ATOM 0 HA LYS A 88 7.826 -6.613 -8.424 1.00 0.00 H new ATOM 0 HB2 LYS A 88 8.593 -7.039 -10.701 1.00 0.00 H new ATOM 0 HB3 LYS A 88 9.806 -7.571 -9.553 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.267 -9.880 -9.895 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.781 -9.489 -10.737 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.444 -8.194 -12.382 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.622 -9.306 -11.713 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.782 -11.136 -12.237 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.142 -9.919 -13.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.682 -11.383 -14.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.303 -9.803 -14.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.923 -10.982 -13.370 1.00 0.00 H new ATOM 1450 N ALA A 89 5.746 -6.899 -9.865 1.00 0.00 N ATOM 1451 CA ALA A 89 4.398 -7.042 -10.400 1.00 0.00 C ATOM 1452 C ALA A 89 4.345 -6.637 -11.870 1.00 0.00 C ATOM 1453 O ALA A 89 4.687 -5.510 -12.225 1.00 0.00 O ATOM 1454 CB ALA A 89 3.416 -6.212 -9.586 1.00 0.00 C ATOM 0 H ALA A 89 6.137 -5.961 -9.953 1.00 0.00 H new ATOM 0 HA ALA A 89 4.115 -8.092 -10.329 1.00 0.00 H new ATOM 0 HB1 ALA A 89 2.413 -6.328 -9.997 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.425 -6.550 -8.550 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.705 -5.162 -9.627 1.00 0.00 H new ATOM 1460 N ALA A 90 3.914 -7.565 -12.719 1.00 0.00 N ATOM 1461 CA ALA A 90 3.815 -7.303 -14.149 1.00 0.00 C ATOM 1462 C ALA A 90 2.422 -6.806 -14.521 1.00 0.00 C ATOM 1463 O ALA A 90 1.421 -7.263 -13.970 1.00 0.00 O ATOM 1464 CB ALA A 90 4.158 -8.558 -14.939 1.00 0.00 C ATOM 0 H ALA A 90 3.628 -8.504 -12.441 1.00 0.00 H new ATOM 0 HA ALA A 90 4.530 -6.520 -14.401 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.080 -8.349 -16.006 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.176 -8.869 -14.703 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.464 -9.356 -14.674 1.00 0.00 H new ATOM 1470 N HIS A 91 2.366 -5.865 -15.459 1.00 0.00 N ATOM 1471 CA HIS A 91 1.095 -5.305 -15.904 1.00 0.00 C ATOM 1472 C HIS A 91 1.019 -5.275 -17.428 1.00 0.00 C ATOM 1473 O HIS A 91 1.991 -4.965 -18.117 1.00 0.00 O ATOM 1474 CB HIS A 91 0.912 -3.893 -15.346 1.00 0.00 C ATOM 1475 CG HIS A 91 -0.522 -3.492 -15.190 1.00 0.00 C ATOM 1476 ND1 HIS A 91 -1.275 -2.974 -16.222 1.00 0.00 N ATOM 1477 CD2 HIS A 91 -1.343 -3.538 -14.114 1.00 0.00 C ATOM 1478 CE1 HIS A 91 -2.496 -2.716 -15.788 1.00 0.00 C ATOM 1479 NE2 HIS A 91 -2.563 -3.050 -14.512 1.00 0.00 N ATOM 0 H HIS A 91 3.185 -5.475 -15.925 1.00 0.00 H new ATOM 0 HA HIS A 91 0.294 -5.943 -15.529 1.00 0.00 H new ATOM 0 HB2 HIS A 91 1.407 -3.827 -14.377 1.00 0.00 H new ATOM 0 HB3 HIS A 91 1.409 -3.183 -16.007 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -1.086 -3.893 -13.127 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -3.302 -2.303 -16.376 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -3.388 -2.960 -13.918 1.00 0.00 H new ATOM 1488 N PRO A 92 -0.163 -5.607 -17.968 1.00 0.00 N ATOM 1489 CA PRO A 92 -0.394 -5.626 -19.416 1.00 0.00 C ATOM 1490 C PRO A 92 -0.494 -4.224 -20.006 1.00 0.00 C ATOM 1491 O PRO A 92 0.170 -3.907 -20.992 1.00 0.00 O ATOM 1492 CB PRO A 92 -1.731 -6.360 -19.551 1.00 0.00 C ATOM 1493 CG PRO A 92 -2.439 -6.098 -18.267 1.00 0.00 C ATOM 1494 CD PRO A 92 -1.365 -5.988 -17.208 1.00 0.00 C ATOM 0 HA PRO A 92 0.426 -6.102 -19.954 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.303 -5.988 -20.401 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -1.582 -7.428 -19.710 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -3.024 -5.180 -18.325 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -3.134 -6.905 -18.034 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.618 -5.239 -16.457 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -1.223 -6.932 -16.682 1.00 0.00 H new ATOM 1502 N ASN A 93 -1.326 -3.387 -19.394 1.00 0.00 N ATOM 1503 CA ASN A 93 -1.512 -2.018 -19.860 1.00 0.00 C ATOM 1504 C ASN A 93 -0.515 -1.076 -19.192 1.00 0.00 C ATOM 1505 O ASN A 93 -0.571 0.139 -19.379 1.00 0.00 O ATOM 1506 CB ASN A 93 -2.941 -1.550 -19.577 1.00 0.00 C ATOM 1507 CG ASN A 93 -3.357 -0.392 -20.463 1.00 0.00 C ATOM 1508 OD1 ASN A 93 -3.522 -0.551 -21.673 1.00 0.00 O ATOM 1509 ND2 ASN A 93 -3.527 0.780 -19.864 1.00 0.00 N ATOM 0 H ASN A 93 -1.882 -3.633 -18.575 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.337 -2.000 -20.936 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -3.629 -2.382 -19.725 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -3.022 -1.251 -18.532 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -3.806 1.596 -20.409 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -3.379 0.865 -18.858 1.00 0.00 H new ATOM 1516 N MET A 94 0.398 -1.646 -18.411 1.00 0.00 N ATOM 1517 CA MET A 94 1.409 -0.857 -17.716 1.00 0.00 C ATOM 1518 C MET A 94 2.736 -1.607 -17.655 1.00 0.00 C ATOM 1519 O MET A 94 2.866 -2.703 -18.201 1.00 0.00 O ATOM 1520 CB MET A 94 0.937 -0.516 -16.302 1.00 0.00 C ATOM 1521 CG MET A 94 -0.025 0.660 -16.249 1.00 0.00 C ATOM 1522 SD MET A 94 -1.129 0.591 -14.825 1.00 0.00 S ATOM 1523 CE MET A 94 0.026 0.181 -13.520 1.00 0.00 C ATOM 0 H MET A 94 0.458 -2.650 -18.244 1.00 0.00 H new ATOM 0 HA MET A 94 1.560 0.067 -18.273 1.00 0.00 H new ATOM 0 HB2 MET A 94 0.452 -1.391 -15.869 1.00 0.00 H new ATOM 0 HB3 MET A 94 1.805 -0.293 -15.682 1.00 0.00 H new ATOM 0 HG2 MET A 94 0.544 1.589 -16.218 1.00 0.00 H new ATOM 0 HG3 MET A 94 -0.618 0.680 -17.163 1.00 0.00 H new ATOM 0 HE1 MET A 94 -0.508 0.103 -12.573 1.00 0.00 H new ATOM 0 HE2 MET A 94 0.506 -0.771 -13.745 1.00 0.00 H new ATOM 0 HE3 MET A 94 0.784 0.961 -13.446 1.00 0.00 H new ATOM 1533 N ARG A 95 3.718 -1.010 -16.988 1.00 0.00 N ATOM 1534 CA ARG A 95 5.035 -1.621 -16.858 1.00 0.00 C ATOM 1535 C ARG A 95 5.096 -2.524 -15.630 1.00 0.00 C ATOM 1536 O ARG A 95 4.101 -2.701 -14.925 1.00 0.00 O ATOM 1537 CB ARG A 95 6.114 -0.541 -16.764 1.00 0.00 C ATOM 1538 CG ARG A 95 6.019 0.308 -15.507 1.00 0.00 C ATOM 1539 CD ARG A 95 6.552 1.713 -15.742 1.00 0.00 C ATOM 1540 NE ARG A 95 7.989 1.717 -16.000 1.00 0.00 N ATOM 1541 CZ ARG A 95 8.674 2.807 -16.326 1.00 0.00 C ATOM 1542 NH1 ARG A 95 8.056 3.975 -16.434 1.00 0.00 N ATOM 1543 NH2 ARG A 95 9.981 2.731 -16.546 1.00 0.00 N ATOM 0 H ARG A 95 3.626 -0.104 -16.529 1.00 0.00 H new ATOM 0 HA ARG A 95 5.215 -2.229 -17.744 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.095 -1.015 -16.798 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.043 0.108 -17.637 1.00 0.00 H new ATOM 0 HG2 ARG A 95 4.980 0.362 -15.180 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.582 -0.166 -14.703 1.00 0.00 H new ATOM 0 HD2 ARG A 95 6.031 2.162 -16.588 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.338 2.332 -14.871 1.00 0.00 H new ATOM 0 HE ARG A 95 8.495 0.834 -15.926 1.00 0.00 H new ATOM 0 HH11 ARG A 95 7.052 4.038 -16.267 1.00 0.00 H new ATOM 0 HH12 ARG A 95 8.585 4.811 -16.685 1.00 0.00 H new ATOM 0 HH21 ARG A 95 10.461 1.834 -16.465 1.00 0.00 H new ATOM 0 HH22 ARG A 95 10.506 3.569 -16.796 1.00 0.00 H new ATOM 1557 N THR A 96 6.270 -3.095 -15.378 1.00 0.00 N ATOM 1558 CA THR A 96 6.461 -3.981 -14.237 1.00 0.00 C ATOM 1559 C THR A 96 6.963 -3.211 -13.021 1.00 0.00 C ATOM 1560 O THR A 96 7.979 -2.518 -13.089 1.00 0.00 O ATOM 1561 CB THR A 96 7.456 -5.110 -14.563 1.00 0.00 C ATOM 1562 OG1 THR A 96 6.990 -5.865 -15.687 1.00 0.00 O ATOM 1563 CG2 THR A 96 7.639 -6.032 -13.367 1.00 0.00 C ATOM 0 H THR A 96 7.104 -2.959 -15.950 1.00 0.00 H new ATOM 0 HA THR A 96 5.489 -4.418 -14.010 1.00 0.00 H new ATOM 0 HB THR A 96 8.418 -4.658 -14.804 1.00 0.00 H new ATOM 0 HG1 THR A 96 7.629 -6.580 -15.889 1.00 0.00 H new ATOM 0 HG21 THR A 96 8.346 -6.822 -13.621 1.00 0.00 H new ATOM 0 HG22 THR A 96 8.022 -5.460 -12.522 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.680 -6.476 -13.100 1.00 0.00 H new ATOM 1571 N TYR A 97 6.246 -3.337 -11.910 1.00 0.00 N ATOM 1572 CA TYR A 97 6.619 -2.651 -10.678 1.00 0.00 C ATOM 1573 C TYR A 97 7.523 -3.528 -9.818 1.00 0.00 C ATOM 1574 O TYR A 97 7.737 -4.703 -10.120 1.00 0.00 O ATOM 1575 CB TYR A 97 5.368 -2.260 -9.889 1.00 0.00 C ATOM 1576 CG TYR A 97 4.672 -1.031 -10.428 1.00 0.00 C ATOM 1577 CD1 TYR A 97 4.638 -0.769 -11.792 1.00 0.00 C ATOM 1578 CD2 TYR A 97 4.046 -0.132 -9.573 1.00 0.00 C ATOM 1579 CE1 TYR A 97 4.004 0.353 -12.288 1.00 0.00 C ATOM 1580 CE2 TYR A 97 3.408 0.992 -10.061 1.00 0.00 C ATOM 1581 CZ TYR A 97 3.390 1.230 -11.419 1.00 0.00 C ATOM 1582 OH TYR A 97 2.755 2.348 -11.910 1.00 0.00 O ATOM 0 H TYR A 97 5.404 -3.907 -11.837 1.00 0.00 H new ATOM 0 HA TYR A 97 7.168 -1.749 -10.947 1.00 0.00 H new ATOM 0 HB2 TYR A 97 4.668 -3.096 -9.896 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.644 -2.084 -8.849 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.116 -1.455 -12.476 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.058 -0.315 -8.509 1.00 0.00 H new ATOM 0 HE1 TYR A 97 3.989 0.543 -13.351 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.926 1.680 -9.383 1.00 0.00 H new ATOM 0 HH TYR A 97 2.373 2.860 -11.167 1.00 0.00 H new ATOM 1592 N TYR A 98 8.051 -2.950 -8.746 1.00 0.00 N ATOM 1593 CA TYR A 98 8.934 -3.677 -7.841 1.00 0.00 C ATOM 1594 C TYR A 98 8.757 -3.197 -6.404 1.00 0.00 C ATOM 1595 O TYR A 98 8.626 -1.999 -6.149 1.00 0.00 O ATOM 1596 CB TYR A 98 10.392 -3.507 -8.272 1.00 0.00 C ATOM 1597 CG TYR A 98 10.766 -4.331 -9.483 1.00 0.00 C ATOM 1598 CD1 TYR A 98 10.464 -3.893 -10.766 1.00 0.00 C ATOM 1599 CD2 TYR A 98 11.420 -5.549 -9.343 1.00 0.00 C ATOM 1600 CE1 TYR A 98 10.803 -4.643 -11.876 1.00 0.00 C ATOM 1601 CE2 TYR A 98 11.764 -6.305 -10.447 1.00 0.00 C ATOM 1602 CZ TYR A 98 11.453 -5.848 -11.711 1.00 0.00 C ATOM 1603 OH TYR A 98 11.793 -6.600 -12.813 1.00 0.00 O ATOM 0 H TYR A 98 7.883 -1.979 -8.482 1.00 0.00 H new ATOM 0 HA TYR A 98 8.669 -4.733 -7.887 1.00 0.00 H new ATOM 0 HB2 TYR A 98 10.578 -2.455 -8.488 1.00 0.00 H new ATOM 0 HB3 TYR A 98 11.042 -3.782 -7.441 1.00 0.00 H new ATOM 0 HD1 TYR A 98 9.955 -2.950 -10.898 1.00 0.00 H new ATOM 0 HD2 TYR A 98 11.663 -5.911 -8.355 1.00 0.00 H new ATOM 0 HE1 TYR A 98 10.560 -4.288 -12.867 1.00 0.00 H new ATOM 0 HE2 TYR A 98 12.274 -7.249 -10.321 1.00 0.00 H new ATOM 0 HH TYR A 98 12.246 -7.419 -12.523 1.00 0.00 H new ATOM 1613 N PHE A 99 8.755 -4.140 -5.468 1.00 0.00 N ATOM 1614 CA PHE A 99 8.595 -3.815 -4.056 1.00 0.00 C ATOM 1615 C PHE A 99 9.496 -4.691 -3.190 1.00 0.00 C ATOM 1616 O PHE A 99 9.776 -5.841 -3.532 1.00 0.00 O ATOM 1617 CB PHE A 99 7.135 -3.992 -3.633 1.00 0.00 C ATOM 1618 CG PHE A 99 6.152 -3.445 -4.628 1.00 0.00 C ATOM 1619 CD1 PHE A 99 5.694 -4.231 -5.674 1.00 0.00 C ATOM 1620 CD2 PHE A 99 5.685 -2.145 -4.518 1.00 0.00 C ATOM 1621 CE1 PHE A 99 4.791 -3.730 -6.591 1.00 0.00 C ATOM 1622 CE2 PHE A 99 4.781 -1.638 -5.433 1.00 0.00 C ATOM 1623 CZ PHE A 99 4.333 -2.432 -6.470 1.00 0.00 C ATOM 0 H PHE A 99 8.862 -5.136 -5.662 1.00 0.00 H new ATOM 0 HA PHE A 99 8.885 -2.774 -3.914 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.935 -5.053 -3.482 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.981 -3.499 -2.673 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.047 -5.247 -5.773 1.00 0.00 H new ATOM 0 HD2 PHE A 99 6.031 -1.520 -3.708 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.443 -4.352 -7.402 1.00 0.00 H new ATOM 0 HE2 PHE A 99 4.426 -0.623 -5.337 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.626 -2.039 -7.185 1.00 0.00 H new ATOM 1633 N CYS A 100 9.947 -4.139 -2.069 1.00 0.00 N ATOM 1634 CA CYS A 100 10.818 -4.868 -1.155 1.00 0.00 C ATOM 1635 C CYS A 100 10.531 -4.483 0.293 1.00 0.00 C ATOM 1636 O CYS A 100 9.956 -3.429 0.565 1.00 0.00 O ATOM 1637 CB CYS A 100 12.286 -4.593 -1.487 1.00 0.00 C ATOM 1638 SG CYS A 100 12.947 -3.094 -0.722 1.00 0.00 S ATOM 0 H CYS A 100 9.724 -3.189 -1.772 1.00 0.00 H new ATOM 0 HA CYS A 100 10.619 -5.933 -1.275 1.00 0.00 H new ATOM 0 HB2 CYS A 100 12.885 -5.446 -1.168 1.00 0.00 H new ATOM 0 HB3 CYS A 100 12.394 -4.514 -2.569 1.00 0.00 H new ATOM 0 HG CYS A 100 13.148 -2.193 -1.637 1.00 0.00 H new ATOM 1644 N THR A 101 10.933 -5.347 1.220 1.00 0.00 N ATOM 1645 CA THR A 101 10.717 -5.099 2.640 1.00 0.00 C ATOM 1646 C THR A 101 12.008 -5.273 3.432 1.00 0.00 C ATOM 1647 O THR A 101 13.049 -5.617 2.872 1.00 0.00 O ATOM 1648 CB THR A 101 9.643 -6.041 3.217 1.00 0.00 C ATOM 1649 OG1 THR A 101 9.852 -7.374 2.738 1.00 0.00 O ATOM 1650 CG2 THR A 101 8.248 -5.571 2.834 1.00 0.00 C ATOM 0 H THR A 101 11.410 -6.225 1.013 1.00 0.00 H new ATOM 0 HA THR A 101 10.374 -4.068 2.732 1.00 0.00 H new ATOM 0 HB THR A 101 9.727 -6.029 4.304 1.00 0.00 H new ATOM 0 HG1 THR A 101 10.178 -7.938 3.471 1.00 0.00 H new ATOM 0 HG21 THR A 101 7.507 -6.252 3.253 1.00 0.00 H new ATOM 0 HG22 THR A 101 8.082 -4.568 3.226 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.154 -5.556 1.748 1.00 0.00 H new ATOM 1658 N ASP A 102 11.933 -5.033 4.736 1.00 0.00 N ATOM 1659 CA ASP A 102 13.097 -5.165 5.606 1.00 0.00 C ATOM 1660 C ASP A 102 13.469 -6.632 5.797 1.00 0.00 C ATOM 1661 O ASP A 102 14.637 -7.007 5.690 1.00 0.00 O ATOM 1662 CB ASP A 102 12.822 -4.515 6.963 1.00 0.00 C ATOM 1663 CG ASP A 102 12.766 -3.002 6.879 1.00 0.00 C ATOM 1664 OD1 ASP A 102 12.037 -2.483 6.008 1.00 0.00 O ATOM 1665 OD2 ASP A 102 13.451 -2.337 7.684 1.00 0.00 O ATOM 0 H ASP A 102 11.079 -4.746 5.214 1.00 0.00 H new ATOM 0 HA ASP A 102 13.935 -4.655 5.131 1.00 0.00 H new ATOM 0 HB2 ASP A 102 11.877 -4.889 7.357 1.00 0.00 H new ATOM 0 HB3 ASP A 102 13.600 -4.808 7.668 1.00 0.00 H new ATOM 1670 N THR A 103 12.468 -7.459 6.081 1.00 0.00 N ATOM 1671 CA THR A 103 12.690 -8.884 6.289 1.00 0.00 C ATOM 1672 C THR A 103 11.709 -9.718 5.473 1.00 0.00 C ATOM 1673 O THR A 103 10.858 -9.179 4.767 1.00 0.00 O ATOM 1674 CB THR A 103 12.555 -9.263 7.776 1.00 0.00 C ATOM 1675 OG1 THR A 103 11.207 -9.056 8.214 1.00 0.00 O ATOM 1676 CG2 THR A 103 13.504 -8.438 8.633 1.00 0.00 C ATOM 0 H THR A 103 11.495 -7.166 6.172 1.00 0.00 H new ATOM 0 HA THR A 103 13.707 -9.097 5.958 1.00 0.00 H new ATOM 0 HB THR A 103 12.814 -10.316 7.885 1.00 0.00 H new ATOM 0 HG1 THR A 103 11.129 -9.301 9.160 1.00 0.00 H new ATOM 0 HG21 THR A 103 13.391 -8.723 9.679 1.00 0.00 H new ATOM 0 HG22 THR A 103 14.531 -8.620 8.317 1.00 0.00 H new ATOM 0 HG23 THR A 103 13.271 -7.379 8.518 1.00 0.00 H new ATOM 1684 N GLY A 104 11.833 -11.038 5.576 1.00 0.00 N ATOM 1685 CA GLY A 104 10.949 -11.926 4.843 1.00 0.00 C ATOM 1686 C GLY A 104 9.499 -11.775 5.258 1.00 0.00 C ATOM 1687 O GLY A 104 8.599 -11.794 4.419 1.00 0.00 O ATOM 0 H GLY A 104 12.530 -11.508 6.154 1.00 0.00 H new ATOM 0 HA2 GLY A 104 11.041 -11.725 3.776 1.00 0.00 H new ATOM 0 HA3 GLY A 104 11.263 -12.958 5.001 1.00 0.00 H new ATOM 1691 N LYS A 105 9.271 -11.626 6.559 1.00 0.00 N ATOM 1692 CA LYS A 105 7.921 -11.471 7.086 1.00 0.00 C ATOM 1693 C LYS A 105 7.227 -10.264 6.462 1.00 0.00 C ATOM 1694 O LYS A 105 6.198 -10.402 5.802 1.00 0.00 O ATOM 1695 CB LYS A 105 7.960 -11.319 8.608 1.00 0.00 C ATOM 1696 CG LYS A 105 6.629 -11.607 9.283 1.00 0.00 C ATOM 1697 CD LYS A 105 5.782 -10.351 9.402 1.00 0.00 C ATOM 1698 CE LYS A 105 6.397 -9.354 10.371 1.00 0.00 C ATOM 1699 NZ LYS A 105 6.877 -10.014 11.617 1.00 0.00 N ATOM 0 H LYS A 105 10.005 -11.609 7.268 1.00 0.00 H new ATOM 0 HA LYS A 105 7.354 -12.366 6.830 1.00 0.00 H new ATOM 0 HB2 LYS A 105 8.716 -11.992 9.013 1.00 0.00 H new ATOM 0 HB3 LYS A 105 8.271 -10.304 8.855 1.00 0.00 H new ATOM 0 HG2 LYS A 105 6.086 -12.361 8.713 1.00 0.00 H new ATOM 0 HG3 LYS A 105 6.805 -12.024 10.275 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.676 -9.888 8.421 1.00 0.00 H new ATOM 0 HD3 LYS A 105 4.780 -10.617 9.739 1.00 0.00 H new ATOM 0 HE2 LYS A 105 7.229 -8.843 9.887 1.00 0.00 H new ATOM 0 HE3 LYS A 105 5.660 -8.592 10.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 7.036 -9.295 12.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 6.163 -10.694 11.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 7.768 -10.514 11.424 1.00 0.00 H new ATOM 1713 N GLU A 106 7.800 -9.083 6.674 1.00 0.00 N ATOM 1714 CA GLU A 106 7.236 -7.853 6.131 1.00 0.00 C ATOM 1715 C GLU A 106 6.870 -8.026 4.660 1.00 0.00 C ATOM 1716 O GLU A 106 6.063 -7.271 4.117 1.00 0.00 O ATOM 1717 CB GLU A 106 8.227 -6.698 6.289 1.00 0.00 C ATOM 1718 CG GLU A 106 8.297 -6.145 7.702 1.00 0.00 C ATOM 1719 CD GLU A 106 8.665 -4.674 7.736 1.00 0.00 C ATOM 1720 OE1 GLU A 106 9.131 -4.155 6.700 1.00 0.00 O ATOM 1721 OE2 GLU A 106 8.487 -4.043 8.798 1.00 0.00 O ATOM 0 H GLU A 106 8.653 -8.952 7.217 1.00 0.00 H new ATOM 0 HA GLU A 106 6.328 -7.622 6.689 1.00 0.00 H new ATOM 0 HB2 GLU A 106 9.219 -7.038 5.992 1.00 0.00 H new ATOM 0 HB3 GLU A 106 7.948 -5.895 5.607 1.00 0.00 H new ATOM 0 HG2 GLU A 106 7.333 -6.286 8.191 1.00 0.00 H new ATOM 0 HG3 GLU A 106 9.031 -6.712 8.274 1.00 0.00 H new ATOM 1728 N MET A 107 7.469 -9.025 4.020 1.00 0.00 N ATOM 1729 CA MET A 107 7.205 -9.298 2.612 1.00 0.00 C ATOM 1730 C MET A 107 6.004 -10.224 2.453 1.00 0.00 C ATOM 1731 O MET A 107 5.172 -10.029 1.568 1.00 0.00 O ATOM 1732 CB MET A 107 8.436 -9.922 1.952 1.00 0.00 C ATOM 1733 CG MET A 107 8.101 -10.857 0.802 1.00 0.00 C ATOM 1734 SD MET A 107 9.420 -10.953 -0.423 1.00 0.00 S ATOM 1735 CE MET A 107 9.715 -12.719 -0.467 1.00 0.00 C ATOM 0 H MET A 107 8.140 -9.659 4.454 1.00 0.00 H new ATOM 0 HA MET A 107 6.979 -8.352 2.121 1.00 0.00 H new ATOM 0 HB2 MET A 107 9.084 -9.126 1.585 1.00 0.00 H new ATOM 0 HB3 MET A 107 9.001 -10.472 2.704 1.00 0.00 H new ATOM 0 HG2 MET A 107 7.903 -11.854 1.196 1.00 0.00 H new ATOM 0 HG3 MET A 107 7.185 -10.518 0.318 1.00 0.00 H new ATOM 0 HE1 MET A 107 10.508 -12.938 -1.182 1.00 0.00 H new ATOM 0 HE2 MET A 107 10.014 -13.063 0.523 1.00 0.00 H new ATOM 0 HE3 MET A 107 8.802 -13.233 -0.769 1.00 0.00 H new ATOM 1745 N GLU A 108 5.921 -11.232 3.316 1.00 0.00 N ATOM 1746 CA GLU A 108 4.821 -12.188 3.269 1.00 0.00 C ATOM 1747 C GLU A 108 3.484 -11.492 3.504 1.00 0.00 C ATOM 1748 O GLU A 108 2.514 -11.725 2.781 1.00 0.00 O ATOM 1749 CB GLU A 108 5.027 -13.287 4.314 1.00 0.00 C ATOM 1750 CG GLU A 108 4.383 -12.979 5.655 1.00 0.00 C ATOM 1751 CD GLU A 108 4.449 -14.151 6.616 1.00 0.00 C ATOM 1752 OE1 GLU A 108 3.858 -15.206 6.307 1.00 0.00 O ATOM 1753 OE2 GLU A 108 5.092 -14.011 7.678 1.00 0.00 O ATOM 0 H GLU A 108 6.602 -11.407 4.055 1.00 0.00 H new ATOM 0 HA GLU A 108 4.807 -12.638 2.276 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.619 -14.222 3.931 1.00 0.00 H new ATOM 0 HB3 GLU A 108 6.096 -13.442 4.461 1.00 0.00 H new ATOM 0 HG2 GLU A 108 4.879 -12.118 6.103 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.341 -12.701 5.498 1.00 0.00 H new ATOM 1760 N LEU A 109 3.439 -10.636 4.519 1.00 0.00 N ATOM 1761 CA LEU A 109 2.222 -9.905 4.851 1.00 0.00 C ATOM 1762 C LEU A 109 1.667 -9.186 3.625 1.00 0.00 C ATOM 1763 O LEU A 109 0.454 -9.123 3.426 1.00 0.00 O ATOM 1764 CB LEU A 109 2.497 -8.896 5.967 1.00 0.00 C ATOM 1765 CG LEU A 109 3.340 -9.404 7.137 1.00 0.00 C ATOM 1766 CD1 LEU A 109 3.426 -8.350 8.230 1.00 0.00 C ATOM 1767 CD2 LEU A 109 2.764 -10.700 7.688 1.00 0.00 C ATOM 0 H LEU A 109 4.232 -10.431 5.127 1.00 0.00 H new ATOM 0 HA LEU A 109 1.479 -10.624 5.195 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.998 -8.031 5.532 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.541 -8.547 6.358 1.00 0.00 H new ATOM 0 HG LEU A 109 4.348 -9.604 6.773 1.00 0.00 H new ATOM 0 HD11 LEU A 109 4.030 -8.729 9.054 1.00 0.00 H new ATOM 0 HD12 LEU A 109 3.886 -7.447 7.829 1.00 0.00 H new ATOM 0 HD13 LEU A 109 2.424 -8.118 8.591 1.00 0.00 H new ATOM 0 HD21 LEU A 109 3.377 -11.046 8.520 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.746 -10.527 8.036 1.00 0.00 H new ATOM 0 HD23 LEU A 109 2.756 -11.457 6.904 1.00 0.00 H new ATOM 1779 N TRP A 110 2.563 -8.647 2.807 1.00 0.00 N ATOM 1780 CA TRP A 110 2.164 -7.934 1.599 1.00 0.00 C ATOM 1781 C TRP A 110 1.791 -8.911 0.489 1.00 0.00 C ATOM 1782 O TRP A 110 0.749 -8.768 -0.151 1.00 0.00 O ATOM 1783 CB TRP A 110 3.291 -7.014 1.128 1.00 0.00 C ATOM 1784 CG TRP A 110 3.228 -5.642 1.729 1.00 0.00 C ATOM 1785 CD1 TRP A 110 4.205 -5.019 2.452 1.00 0.00 C ATOM 1786 CD2 TRP A 110 2.130 -4.726 1.659 1.00 0.00 C ATOM 1787 NE1 TRP A 110 3.779 -3.770 2.836 1.00 0.00 N ATOM 1788 CE2 TRP A 110 2.511 -3.566 2.362 1.00 0.00 C ATOM 1789 CE3 TRP A 110 0.864 -4.772 1.071 1.00 0.00 C ATOM 1790 CZ2 TRP A 110 1.669 -2.465 2.491 1.00 0.00 C ATOM 1791 CZ3 TRP A 110 0.029 -3.679 1.200 1.00 0.00 C ATOM 1792 CH2 TRP A 110 0.434 -2.537 1.904 1.00 0.00 C ATOM 0 H TRP A 110 3.571 -8.690 2.958 1.00 0.00 H new ATOM 0 HA TRP A 110 1.288 -7.330 1.836 1.00 0.00 H new ATOM 0 HB2 TRP A 110 4.250 -7.469 1.378 1.00 0.00 H new ATOM 0 HB3 TRP A 110 3.251 -6.929 0.042 1.00 0.00 H new ATOM 0 HD1 TRP A 110 5.169 -5.445 2.687 1.00 0.00 H new ATOM 0 HE1 TRP A 110 4.320 -3.103 3.386 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.543 -5.647 0.525 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 1.979 -1.585 3.035 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -0.953 -3.705 0.751 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -0.241 -1.698 1.985 1.00 0.00 H new ATOM 1803 N MET A 111 2.648 -9.902 0.266 1.00 0.00 N ATOM 1804 CA MET A 111 2.406 -10.903 -0.767 1.00 0.00 C ATOM 1805 C MET A 111 1.092 -11.636 -0.517 1.00 0.00 C ATOM 1806 O MET A 111 0.174 -11.583 -1.336 1.00 0.00 O ATOM 1807 CB MET A 111 3.561 -11.905 -0.817 1.00 0.00 C ATOM 1808 CG MET A 111 4.846 -11.323 -1.385 1.00 0.00 C ATOM 1809 SD MET A 111 6.014 -12.596 -1.904 1.00 0.00 S ATOM 1810 CE MET A 111 5.923 -12.431 -3.685 1.00 0.00 C ATOM 0 H MET A 111 3.516 -10.033 0.786 1.00 0.00 H new ATOM 0 HA MET A 111 2.338 -10.390 -1.726 1.00 0.00 H new ATOM 0 HB2 MET A 111 3.754 -12.276 0.190 1.00 0.00 H new ATOM 0 HB3 MET A 111 3.262 -12.762 -1.420 1.00 0.00 H new ATOM 0 HG2 MET A 111 4.607 -10.686 -2.236 1.00 0.00 H new ATOM 0 HG3 MET A 111 5.316 -10.688 -0.634 1.00 0.00 H new ATOM 0 HE1 MET A 111 6.886 -12.691 -4.124 1.00 0.00 H new ATOM 0 HE2 MET A 111 5.155 -13.099 -4.074 1.00 0.00 H new ATOM 0 HE3 MET A 111 5.673 -11.402 -3.943 1.00 0.00 H new ATOM 1820 N LYS A 112 1.008 -12.319 0.619 1.00 0.00 N ATOM 1821 CA LYS A 112 -0.194 -13.063 0.978 1.00 0.00 C ATOM 1822 C LYS A 112 -1.449 -12.304 0.559 1.00 0.00 C ATOM 1823 O LYS A 112 -2.420 -12.900 0.094 1.00 0.00 O ATOM 1824 CB LYS A 112 -0.224 -13.326 2.486 1.00 0.00 C ATOM 1825 CG LYS A 112 0.785 -14.366 2.942 1.00 0.00 C ATOM 1826 CD LYS A 112 0.309 -15.776 2.636 1.00 0.00 C ATOM 1827 CE LYS A 112 0.864 -16.780 3.634 1.00 0.00 C ATOM 1828 NZ LYS A 112 2.301 -17.077 3.381 1.00 0.00 N ATOM 0 H LYS A 112 1.758 -12.373 1.308 1.00 0.00 H new ATOM 0 HA LYS A 112 -0.173 -14.016 0.449 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -0.033 -12.391 3.013 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -1.224 -13.654 2.769 1.00 0.00 H new ATOM 0 HG2 LYS A 112 1.740 -14.188 2.448 1.00 0.00 H new ATOM 0 HG3 LYS A 112 0.956 -14.263 4.014 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -0.780 -15.806 2.656 1.00 0.00 H new ATOM 0 HD3 LYS A 112 0.617 -16.055 1.628 1.00 0.00 H new ATOM 0 HE2 LYS A 112 0.746 -16.390 4.645 1.00 0.00 H new ATOM 0 HE3 LYS A 112 0.287 -17.703 3.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 2.642 -17.765 4.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 2.411 -17.473 2.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 2.855 -16.201 3.458 1.00 0.00 H new ATOM 1842 N ALA A 113 -1.421 -10.985 0.725 1.00 0.00 N ATOM 1843 CA ALA A 113 -2.555 -10.145 0.360 1.00 0.00 C ATOM 1844 C ALA A 113 -2.577 -9.874 -1.140 1.00 0.00 C ATOM 1845 O ALA A 113 -3.521 -10.251 -1.834 1.00 0.00 O ATOM 1846 CB ALA A 113 -2.512 -8.836 1.134 1.00 0.00 C ATOM 0 H ALA A 113 -0.625 -10.476 1.110 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.469 -10.678 0.620 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -3.365 -8.218 0.852 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.553 -9.044 2.203 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -1.588 -8.307 0.902 1.00 0.00 H new ATOM 1852 N MET A 114 -1.532 -9.219 -1.634 1.00 0.00 N ATOM 1853 CA MET A 114 -1.432 -8.899 -3.053 1.00 0.00 C ATOM 1854 C MET A 114 -1.861 -10.085 -3.910 1.00 0.00 C ATOM 1855 O MET A 114 -2.780 -9.977 -4.723 1.00 0.00 O ATOM 1856 CB MET A 114 0.000 -8.491 -3.407 1.00 0.00 C ATOM 1857 CG MET A 114 0.383 -7.113 -2.893 1.00 0.00 C ATOM 1858 SD MET A 114 2.018 -6.594 -3.450 1.00 0.00 S ATOM 1859 CE MET A 114 2.443 -5.398 -2.186 1.00 0.00 C ATOM 0 H MET A 114 -0.742 -8.899 -1.073 1.00 0.00 H new ATOM 0 HA MET A 114 -2.102 -8.064 -3.259 1.00 0.00 H new ATOM 0 HB2 MET A 114 0.691 -9.228 -2.997 1.00 0.00 H new ATOM 0 HB3 MET A 114 0.118 -8.512 -4.490 1.00 0.00 H new ATOM 0 HG2 MET A 114 -0.358 -6.386 -3.226 1.00 0.00 H new ATOM 0 HG3 MET A 114 0.359 -7.116 -1.803 1.00 0.00 H new ATOM 0 HE1 MET A 114 3.523 -5.395 -2.037 1.00 0.00 H new ATOM 0 HE2 MET A 114 2.117 -4.406 -2.499 1.00 0.00 H new ATOM 0 HE3 MET A 114 1.948 -5.664 -1.252 1.00 0.00 H new ATOM 1869 N LEU A 115 -1.191 -11.217 -3.724 1.00 0.00 N ATOM 1870 CA LEU A 115 -1.503 -12.425 -4.480 1.00 0.00 C ATOM 1871 C LEU A 115 -3.008 -12.672 -4.514 1.00 0.00 C ATOM 1872 O LEU A 115 -3.543 -13.175 -5.502 1.00 0.00 O ATOM 1873 CB LEU A 115 -0.790 -13.632 -3.869 1.00 0.00 C ATOM 1874 CG LEU A 115 0.614 -13.922 -4.400 1.00 0.00 C ATOM 1875 CD1 LEU A 115 0.572 -14.202 -5.894 1.00 0.00 C ATOM 1876 CD2 LEU A 115 1.549 -12.759 -4.100 1.00 0.00 C ATOM 0 H LEU A 115 -0.428 -11.324 -3.056 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.153 -12.284 -5.503 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.725 -13.483 -2.791 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -1.408 -14.515 -4.032 1.00 0.00 H new ATOM 0 HG LEU A 115 0.996 -14.809 -3.895 1.00 0.00 H new ATOM 0 HD11 LEU A 115 1.580 -14.406 -6.254 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -0.064 -15.067 -6.084 1.00 0.00 H new ATOM 0 HD13 LEU A 115 0.169 -13.334 -6.416 1.00 0.00 H new ATOM 0 HD21 LEU A 115 2.544 -12.983 -4.485 1.00 0.00 H new ATOM 0 HD22 LEU A 115 1.170 -11.855 -4.577 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.604 -12.605 -3.022 1.00 0.00 H new ATOM 1888 N ASP A 116 -3.685 -12.315 -3.428 1.00 0.00 N ATOM 1889 CA ASP A 116 -5.130 -12.495 -3.334 1.00 0.00 C ATOM 1890 C ASP A 116 -5.865 -11.400 -4.101 1.00 0.00 C ATOM 1891 O ASP A 116 -6.947 -11.627 -4.641 1.00 0.00 O ATOM 1892 CB ASP A 116 -5.571 -12.494 -1.870 1.00 0.00 C ATOM 1893 CG ASP A 116 -6.836 -13.299 -1.646 1.00 0.00 C ATOM 1894 OD1 ASP A 116 -7.900 -12.887 -2.153 1.00 0.00 O ATOM 1895 OD2 ASP A 116 -6.761 -14.343 -0.964 1.00 0.00 O ATOM 0 H ASP A 116 -3.257 -11.899 -2.601 1.00 0.00 H new ATOM 0 HA ASP A 116 -5.382 -13.457 -3.780 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -4.771 -12.901 -1.252 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -5.735 -11.467 -1.544 1.00 0.00 H new ATOM 1900 N ALA A 117 -5.269 -10.213 -4.144 1.00 0.00 N ATOM 1901 CA ALA A 117 -5.867 -9.084 -4.845 1.00 0.00 C ATOM 1902 C ALA A 117 -5.518 -9.112 -6.330 1.00 0.00 C ATOM 1903 O ALA A 117 -6.138 -8.419 -7.136 1.00 0.00 O ATOM 1904 CB ALA A 117 -5.412 -7.773 -4.220 1.00 0.00 C ATOM 0 H ALA A 117 -4.373 -10.009 -3.702 1.00 0.00 H new ATOM 0 HA ALA A 117 -6.950 -9.163 -4.751 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -5.866 -6.938 -4.754 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -5.717 -7.744 -3.174 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -4.327 -7.697 -4.284 1.00 0.00 H new ATOM 1910 N ALA A 118 -4.522 -9.918 -6.683 1.00 0.00 N ATOM 1911 CA ALA A 118 -4.092 -10.037 -8.071 1.00 0.00 C ATOM 1912 C ALA A 118 -4.793 -11.200 -8.765 1.00 0.00 C ATOM 1913 O ALA A 118 -5.305 -11.056 -9.876 1.00 0.00 O ATOM 1914 CB ALA A 118 -2.582 -10.210 -8.143 1.00 0.00 C ATOM 0 H ALA A 118 -3.998 -10.498 -6.028 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.367 -9.119 -8.590 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -2.275 -10.298 -9.185 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -2.095 -9.345 -7.693 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -2.293 -11.111 -7.603 1.00 0.00 H new ATOM 1920 N LEU A 119 -4.813 -12.352 -8.103 1.00 0.00 N ATOM 1921 CA LEU A 119 -5.451 -13.541 -8.657 1.00 0.00 C ATOM 1922 C LEU A 119 -6.951 -13.323 -8.832 1.00 0.00 C ATOM 1923 O LEU A 119 -7.580 -13.931 -9.697 1.00 0.00 O ATOM 1924 CB LEU A 119 -5.202 -14.747 -7.750 1.00 0.00 C ATOM 1925 CG LEU A 119 -6.216 -14.963 -6.627 1.00 0.00 C ATOM 1926 CD1 LEU A 119 -7.375 -15.820 -7.112 1.00 0.00 C ATOM 1927 CD2 LEU A 119 -5.547 -15.603 -5.419 1.00 0.00 C ATOM 0 H LEU A 119 -4.395 -12.488 -7.183 1.00 0.00 H new ATOM 0 HA LEU A 119 -5.014 -13.734 -9.637 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -5.180 -15.644 -8.369 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -4.213 -14.643 -7.304 1.00 0.00 H new ATOM 0 HG LEU A 119 -6.609 -13.992 -6.327 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -8.087 -15.963 -6.299 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -7.871 -15.323 -7.945 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -6.999 -16.789 -7.440 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -6.284 -15.749 -4.630 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -5.125 -16.567 -5.705 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -4.751 -14.952 -5.056 1.00 0.00 H new