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 94 MET CE :methyl -170:sc= -1.2 (180deg=-1.27) USER MOD Set 1.2: A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 171:sc= 0.308 USER MOD Single : A 29 LYS NZ :NH3+ -170:sc= 0.266 (180deg=0.208) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 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 -123:sc= -1.06! USER MOD Single : A 52 TYR OH : rot 180:sc= 0 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= 0.00831 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.146 X(o=-0.15,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.0151) USER MOD Single : A 91 HIS : no HD1:sc= -9.93! C(o=-9.9!,f=-14!) USER MOD Single : A 93 ASN : amide:sc= -0.0682 K(o=-0.068,f=-1.3!) 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 -107:sc= 0.737 USER MOD Single : A 101 THR OG1 : rot 121:sc= 0.121 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -121:sc= -4.58! (180deg=-5.32!) USER MOD Single : A 107 MET CE :methyl -149:sc= -0.146 (180deg=-0.994) USER MOD Single : A 111 MET CE :methyl 137:sc= -0.348 (180deg=-1.65) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 MET CE :methyl 147:sc= -0.645 (180deg=-2.06!) USER MOD ----------------------------------------------------------------- ATOM 265 N PRO A 20 -13.542 -3.542 4.333 1.00 0.00 N ATOM 266 CA PRO A 20 -12.541 -3.596 5.402 1.00 0.00 C ATOM 267 C PRO A 20 -11.117 -3.475 4.869 1.00 0.00 C ATOM 268 O PRO A 20 -10.896 -3.462 3.658 1.00 0.00 O ATOM 269 CB PRO A 20 -12.763 -4.976 6.027 1.00 0.00 C ATOM 270 CG PRO A 20 -13.317 -5.807 4.922 1.00 0.00 C ATOM 271 CD PRO A 20 -14.030 -4.881 3.960 1.00 0.00 C ATOM 0 HA PRO A 20 -12.652 -2.772 6.106 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -11.830 -5.393 6.407 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -13.455 -4.923 6.868 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -12.519 -6.346 4.412 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -14.006 -6.554 5.315 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -13.791 -5.120 2.924 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.113 -4.955 4.062 1.00 0.00 H new ATOM 279 N VAL A 21 -10.154 -3.387 5.781 1.00 0.00 N ATOM 280 CA VAL A 21 -8.751 -3.269 5.403 1.00 0.00 C ATOM 281 C VAL A 21 -7.972 -4.523 5.784 1.00 0.00 C ATOM 282 O VAL A 21 -7.963 -4.933 6.944 1.00 0.00 O ATOM 283 CB VAL A 21 -8.091 -2.046 6.068 1.00 0.00 C ATOM 284 CG1 VAL A 21 -6.618 -1.967 5.699 1.00 0.00 C ATOM 285 CG2 VAL A 21 -8.818 -0.769 5.674 1.00 0.00 C ATOM 0 H VAL A 21 -10.320 -3.395 6.787 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.724 -3.143 4.321 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.163 -2.159 7.150 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.169 -1.097 6.178 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.109 -2.870 6.037 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.518 -1.877 4.617 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.339 0.085 6.153 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.779 -0.647 4.592 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.858 -0.828 5.995 1.00 0.00 H new ATOM 295 N VAL A 22 -7.317 -5.128 4.798 1.00 0.00 N ATOM 296 CA VAL A 22 -6.533 -6.335 5.029 1.00 0.00 C ATOM 297 C VAL A 22 -5.296 -6.035 5.868 1.00 0.00 C ATOM 298 O VAL A 22 -5.122 -6.585 6.955 1.00 0.00 O ATOM 299 CB VAL A 22 -6.095 -6.982 3.701 1.00 0.00 C ATOM 300 CG1 VAL A 22 -5.258 -8.225 3.964 1.00 0.00 C ATOM 301 CG2 VAL A 22 -7.308 -7.317 2.846 1.00 0.00 C ATOM 0 H VAL A 22 -7.314 -4.802 3.832 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.175 -7.031 5.570 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.480 -6.268 3.154 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.958 -8.669 3.015 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.370 -7.952 4.534 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.846 -8.946 4.532 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.980 -7.773 1.912 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.951 -8.014 3.384 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.863 -6.405 2.629 1.00 0.00 H new ATOM 311 N ARG A 23 -4.439 -5.157 5.355 1.00 0.00 N ATOM 312 CA ARG A 23 -3.217 -4.784 6.057 1.00 0.00 C ATOM 313 C ARG A 23 -2.653 -3.476 5.508 1.00 0.00 C ATOM 314 O ARG A 23 -2.700 -3.226 4.304 1.00 0.00 O ATOM 315 CB ARG A 23 -2.173 -5.894 5.933 1.00 0.00 C ATOM 316 CG ARG A 23 -0.914 -5.641 6.747 1.00 0.00 C ATOM 317 CD ARG A 23 -1.041 -6.198 8.157 1.00 0.00 C ATOM 318 NE ARG A 23 -1.602 -5.219 9.084 1.00 0.00 N ATOM 319 CZ ARG A 23 -1.463 -5.292 10.403 1.00 0.00 C ATOM 320 NH1 ARG A 23 -0.786 -6.294 10.947 1.00 0.00 N ATOM 321 NH2 ARG A 23 -2.002 -4.363 11.181 1.00 0.00 N ATOM 0 H ARG A 23 -4.569 -4.692 4.457 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.461 -4.641 7.110 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.618 -6.837 6.252 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.900 -6.009 4.884 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.059 -6.099 6.249 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.719 -4.570 6.794 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.674 -7.085 8.140 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.060 -6.513 8.512 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.129 -4.436 8.697 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.370 -7.011 10.352 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.681 -6.348 11.960 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.524 -3.591 10.767 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.894 -4.421 12.194 1.00 0.00 H new ATOM 335 N ARG A 24 -2.122 -2.647 6.400 1.00 0.00 N ATOM 336 CA ARG A 24 -1.550 -1.365 6.005 1.00 0.00 C ATOM 337 C ARG A 24 -0.179 -1.162 6.642 1.00 0.00 C ATOM 338 O ARG A 24 -0.038 -1.202 7.863 1.00 0.00 O ATOM 339 CB ARG A 24 -2.484 -0.221 6.405 1.00 0.00 C ATOM 340 CG ARG A 24 -2.725 -0.127 7.903 1.00 0.00 C ATOM 341 CD ARG A 24 -3.796 0.901 8.231 1.00 0.00 C ATOM 342 NE ARG A 24 -5.133 0.313 8.243 1.00 0.00 N ATOM 343 CZ ARG A 24 -6.212 0.950 8.683 1.00 0.00 C ATOM 344 NH1 ARG A 24 -6.113 2.189 9.145 1.00 0.00 N ATOM 345 NH2 ARG A 24 -7.395 0.349 8.661 1.00 0.00 N ATOM 0 H ARG A 24 -2.076 -2.840 7.401 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.432 -1.367 4.921 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.062 0.721 6.054 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.441 -0.350 5.899 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.026 -1.102 8.286 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.796 0.141 8.406 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.586 1.345 9.204 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.761 1.707 7.498 1.00 0.00 H new ATOM 0 HE ARG A 24 -5.244 -0.639 7.894 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.206 2.656 9.163 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.944 2.675 9.482 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.477 -0.604 8.306 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -8.223 0.840 8.999 1.00 0.00 H new ATOM 359 N GLY A 25 0.831 -0.944 5.804 1.00 0.00 N ATOM 360 CA GLY A 25 2.178 -0.739 6.303 1.00 0.00 C ATOM 361 C GLY A 25 3.020 0.106 5.368 1.00 0.00 C ATOM 362 O GLY A 25 2.624 0.370 4.233 1.00 0.00 O ATOM 0 H GLY A 25 0.740 -0.906 4.789 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.131 -0.258 7.280 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.660 -1.706 6.447 1.00 0.00 H new ATOM 366 N TRP A 26 4.183 0.533 5.846 1.00 0.00 N ATOM 367 CA TRP A 26 5.083 1.355 5.044 1.00 0.00 C ATOM 368 C TRP A 26 5.910 0.493 4.097 1.00 0.00 C ATOM 369 O TRP A 26 6.914 -0.097 4.495 1.00 0.00 O ATOM 370 CB TRP A 26 6.008 2.169 5.951 1.00 0.00 C ATOM 371 CG TRP A 26 5.305 3.275 6.678 1.00 0.00 C ATOM 372 CD1 TRP A 26 4.787 3.228 7.941 1.00 0.00 C ATOM 373 CD2 TRP A 26 5.041 4.593 6.183 1.00 0.00 C ATOM 374 NE1 TRP A 26 4.217 4.436 8.261 1.00 0.00 N ATOM 375 CE2 TRP A 26 4.361 5.291 7.200 1.00 0.00 C ATOM 376 CE3 TRP A 26 5.315 5.251 4.982 1.00 0.00 C ATOM 377 CZ2 TRP A 26 3.951 6.613 7.049 1.00 0.00 C ATOM 378 CZ3 TRP A 26 4.908 6.563 4.833 1.00 0.00 C ATOM 379 CH2 TRP A 26 4.232 7.233 5.862 1.00 0.00 C ATOM 0 H TRP A 26 4.525 0.324 6.784 1.00 0.00 H new ATOM 0 HA TRP A 26 4.477 2.037 4.448 1.00 0.00 H new ATOM 0 HB2 TRP A 26 6.470 1.502 6.679 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.813 2.593 5.350 1.00 0.00 H new ATOM 0 HD1 TRP A 26 4.821 2.367 8.592 1.00 0.00 H new ATOM 0 HE1 TRP A 26 3.761 4.660 9.145 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.836 4.743 4.184 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 3.430 7.131 7.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 5.114 7.081 3.908 1.00 0.00 H new ATOM 0 HH2 TRP A 26 3.927 8.259 5.715 1.00 0.00 H new ATOM 390 N LEU A 27 5.482 0.425 2.841 1.00 0.00 N ATOM 391 CA LEU A 27 6.183 -0.366 1.835 1.00 0.00 C ATOM 392 C LEU A 27 7.071 0.521 0.968 1.00 0.00 C ATOM 393 O LEU A 27 6.761 1.689 0.735 1.00 0.00 O ATOM 394 CB LEU A 27 5.181 -1.117 0.958 1.00 0.00 C ATOM 395 CG LEU A 27 5.777 -2.073 -0.075 1.00 0.00 C ATOM 396 CD1 LEU A 27 6.306 -3.328 0.602 1.00 0.00 C ATOM 397 CD2 LEU A 27 4.742 -2.431 -1.131 1.00 0.00 C ATOM 0 H LEU A 27 4.653 0.908 2.495 1.00 0.00 H new ATOM 0 HA LEU A 27 6.815 -1.088 2.352 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.515 -1.685 1.607 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.567 -0.385 0.434 1.00 0.00 H new ATOM 0 HG LEU A 27 6.610 -1.571 -0.567 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.726 -3.997 -0.149 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.080 -3.056 1.319 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.491 -3.832 1.121 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.184 -3.112 -1.858 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.888 -2.913 -0.655 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.411 -1.525 -1.638 1.00 0.00 H new ATOM 409 N TYR A 28 8.175 -0.043 0.491 1.00 0.00 N ATOM 410 CA TYR A 28 9.108 0.695 -0.351 1.00 0.00 C ATOM 411 C TYR A 28 8.808 0.465 -1.829 1.00 0.00 C ATOM 412 O TYR A 28 8.720 -0.674 -2.288 1.00 0.00 O ATOM 413 CB TYR A 28 10.547 0.279 -0.041 1.00 0.00 C ATOM 414 CG TYR A 28 10.874 0.285 1.435 1.00 0.00 C ATOM 415 CD1 TYR A 28 10.993 1.479 2.136 1.00 0.00 C ATOM 416 CD2 TYR A 28 11.063 -0.903 2.130 1.00 0.00 C ATOM 417 CE1 TYR A 28 11.292 1.489 3.485 1.00 0.00 C ATOM 418 CE2 TYR A 28 11.362 -0.903 3.479 1.00 0.00 C ATOM 419 CZ TYR A 28 11.476 0.295 4.151 1.00 0.00 C ATOM 420 OH TYR A 28 11.772 0.301 5.495 1.00 0.00 O ATOM 0 H TYR A 28 8.445 -1.009 0.673 1.00 0.00 H new ATOM 0 HA TYR A 28 8.989 1.757 -0.136 1.00 0.00 H new ATOM 0 HB2 TYR A 28 10.721 -0.721 -0.439 1.00 0.00 H new ATOM 0 HB3 TYR A 28 11.230 0.952 -0.559 1.00 0.00 H new ATOM 0 HD1 TYR A 28 10.849 2.415 1.617 1.00 0.00 H new ATOM 0 HD2 TYR A 28 10.975 -1.843 1.606 1.00 0.00 H new ATOM 0 HE1 TYR A 28 11.381 2.426 4.015 1.00 0.00 H new ATOM 0 HE2 TYR A 28 11.506 -1.836 4.004 1.00 0.00 H new ATOM 0 HH TYR A 28 11.729 -0.614 5.844 1.00 0.00 H new ATOM 430 N LYS A 29 8.653 1.557 -2.571 1.00 0.00 N ATOM 431 CA LYS A 29 8.364 1.477 -3.998 1.00 0.00 C ATOM 432 C LYS A 29 9.564 1.934 -4.822 1.00 0.00 C ATOM 433 O LYS A 29 10.194 2.944 -4.509 1.00 0.00 O ATOM 434 CB LYS A 29 7.142 2.332 -4.341 1.00 0.00 C ATOM 435 CG LYS A 29 6.796 2.334 -5.820 1.00 0.00 C ATOM 436 CD LYS A 29 5.307 2.537 -6.044 1.00 0.00 C ATOM 437 CE LYS A 29 4.907 2.198 -7.472 1.00 0.00 C ATOM 438 NZ LYS A 29 5.246 3.296 -8.419 1.00 0.00 N ATOM 0 H LYS A 29 8.723 2.507 -2.208 1.00 0.00 H new ATOM 0 HA LYS A 29 8.152 0.436 -4.242 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.284 1.967 -3.776 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.324 3.357 -4.018 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.352 3.125 -6.324 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.107 1.391 -6.269 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.745 1.912 -5.350 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.043 3.572 -5.827 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.410 1.282 -7.782 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.836 2.002 -7.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.810 3.104 -9.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.886 4.198 -8.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.279 3.354 -8.528 1.00 0.00 H new ATOM 571 N TRP A 38 14.883 3.050 -3.672 1.00 0.00 N ATOM 572 CA TRP A 38 13.682 2.712 -2.917 1.00 0.00 C ATOM 573 C TRP A 38 13.130 3.937 -2.196 1.00 0.00 C ATOM 574 O TRP A 38 13.873 4.681 -1.556 1.00 0.00 O ATOM 575 CB TRP A 38 13.985 1.604 -1.908 1.00 0.00 C ATOM 576 CG TRP A 38 14.509 0.350 -2.541 1.00 0.00 C ATOM 577 CD1 TRP A 38 15.816 -0.035 -2.636 1.00 0.00 C ATOM 578 CD2 TRP A 38 13.738 -0.680 -3.168 1.00 0.00 C ATOM 579 NE1 TRP A 38 15.903 -1.243 -3.285 1.00 0.00 N ATOM 580 CE2 TRP A 38 14.642 -1.660 -3.621 1.00 0.00 C ATOM 581 CE3 TRP A 38 12.371 -0.871 -3.389 1.00 0.00 C ATOM 582 CZ2 TRP A 38 14.223 -2.811 -4.282 1.00 0.00 C ATOM 583 CZ3 TRP A 38 11.956 -2.014 -4.046 1.00 0.00 C ATOM 584 CH2 TRP A 38 12.879 -2.973 -4.485 1.00 0.00 C ATOM 0 HA TRP A 38 12.928 2.357 -3.620 1.00 0.00 H new ATOM 0 HB2 TRP A 38 14.715 1.970 -1.186 1.00 0.00 H new ATOM 0 HB3 TRP A 38 13.077 1.370 -1.353 1.00 0.00 H new ATOM 0 HD1 TRP A 38 16.657 0.527 -2.257 1.00 0.00 H new ATOM 0 HE1 TRP A 38 16.767 -1.748 -3.484 1.00 0.00 H new ATOM 0 HE3 TRP A 38 11.652 -0.139 -3.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 14.933 -3.550 -4.623 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 10.902 -2.171 -4.224 1.00 0.00 H new ATOM 0 HH2 TRP A 38 12.523 -3.857 -4.993 1.00 0.00 H new ATOM 595 N LYS A 39 11.821 4.141 -2.302 1.00 0.00 N ATOM 596 CA LYS A 39 11.168 5.275 -1.659 1.00 0.00 C ATOM 597 C LYS A 39 10.133 4.802 -0.644 1.00 0.00 C ATOM 598 O LYS A 39 9.420 3.826 -0.877 1.00 0.00 O ATOM 599 CB LYS A 39 10.500 6.167 -2.707 1.00 0.00 C ATOM 600 CG LYS A 39 11.481 6.816 -3.668 1.00 0.00 C ATOM 601 CD LYS A 39 12.007 8.133 -3.121 1.00 0.00 C ATOM 602 CE LYS A 39 13.134 8.683 -3.982 1.00 0.00 C ATOM 603 NZ LYS A 39 13.552 10.044 -3.545 1.00 0.00 N ATOM 0 H LYS A 39 11.191 3.535 -2.828 1.00 0.00 H new ATOM 0 HA LYS A 39 11.930 5.851 -1.134 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.786 5.572 -3.277 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.932 6.947 -2.199 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.315 6.138 -3.852 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.993 6.988 -4.627 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.195 8.859 -3.075 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.364 7.988 -2.101 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.989 8.008 -3.936 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.812 8.719 -5.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 14.322 10.384 -4.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.743 10.694 -3.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.884 10.006 -2.560 1.00 0.00 H new ATOM 617 N LYS A 40 10.054 5.501 0.484 1.00 0.00 N ATOM 618 CA LYS A 40 9.104 5.155 1.534 1.00 0.00 C ATOM 619 C LYS A 40 7.749 5.806 1.278 1.00 0.00 C ATOM 620 O LYS A 40 7.672 6.987 0.938 1.00 0.00 O ATOM 621 CB LYS A 40 9.642 5.590 2.900 1.00 0.00 C ATOM 622 CG LYS A 40 8.828 5.064 4.069 1.00 0.00 C ATOM 623 CD LYS A 40 9.692 4.858 5.302 1.00 0.00 C ATOM 624 CE LYS A 40 8.888 4.278 6.456 1.00 0.00 C ATOM 625 NZ LYS A 40 9.482 4.626 7.776 1.00 0.00 N ATOM 0 H LYS A 40 10.637 6.311 0.694 1.00 0.00 H new ATOM 0 HA LYS A 40 8.973 4.073 1.530 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.672 5.247 3.002 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.663 6.679 2.943 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.025 5.764 4.299 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.358 4.121 3.791 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.518 4.189 5.061 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.129 5.810 5.604 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.865 4.650 6.409 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.838 3.194 6.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.905 4.212 8.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.450 4.249 7.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.507 5.660 7.884 1.00 0.00 H new ATOM 639 N ARG A 41 6.683 5.030 1.446 1.00 0.00 N ATOM 640 CA ARG A 41 5.331 5.533 1.233 1.00 0.00 C ATOM 641 C ARG A 41 4.308 4.661 1.954 1.00 0.00 C ATOM 642 O ARG A 41 4.445 3.439 2.006 1.00 0.00 O ATOM 643 CB ARG A 41 5.012 5.581 -0.262 1.00 0.00 C ATOM 644 CG ARG A 41 3.871 6.524 -0.611 1.00 0.00 C ATOM 645 CD ARG A 41 4.357 7.957 -0.754 1.00 0.00 C ATOM 646 NE ARG A 41 5.422 8.078 -1.747 1.00 0.00 N ATOM 647 CZ ARG A 41 5.212 8.041 -3.058 1.00 0.00 C ATOM 648 NH1 ARG A 41 3.983 7.889 -3.532 1.00 0.00 N ATOM 649 NH2 ARG A 41 6.232 8.158 -3.898 1.00 0.00 N ATOM 0 H ARG A 41 6.729 4.051 1.729 1.00 0.00 H new ATOM 0 HA ARG A 41 5.276 6.542 1.642 1.00 0.00 H new ATOM 0 HB2 ARG A 41 5.905 5.888 -0.806 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.760 4.577 -0.604 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.404 6.203 -1.542 1.00 0.00 H new ATOM 0 HG3 ARG A 41 3.106 6.474 0.164 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.521 8.596 -1.039 1.00 0.00 H new ATOM 0 HD3 ARG A 41 4.718 8.315 0.210 1.00 0.00 H new ATOM 0 HE ARG A 41 6.379 8.197 -1.415 1.00 0.00 H new ATOM 0 HH11 ARG A 41 3.196 7.800 -2.889 1.00 0.00 H new ATOM 0 HH12 ARG A 41 3.825 7.861 -4.539 1.00 0.00 H new ATOM 0 HH21 ARG A 41 7.179 8.276 -3.537 1.00 0.00 H new ATOM 0 HH22 ARG A 41 6.070 8.129 -4.905 1.00 0.00 H new ATOM 663 N TRP A 42 3.284 5.298 2.510 1.00 0.00 N ATOM 664 CA TRP A 42 2.237 4.580 3.230 1.00 0.00 C ATOM 665 C TRP A 42 1.340 3.814 2.264 1.00 0.00 C ATOM 666 O TRP A 42 0.706 4.404 1.389 1.00 0.00 O ATOM 667 CB TRP A 42 1.399 5.555 4.058 1.00 0.00 C ATOM 668 CG TRP A 42 0.447 4.873 4.994 1.00 0.00 C ATOM 669 CD1 TRP A 42 -0.896 5.098 5.104 1.00 0.00 C ATOM 670 CD2 TRP A 42 0.766 3.858 5.951 1.00 0.00 C ATOM 671 NE1 TRP A 42 -1.431 4.283 6.073 1.00 0.00 N ATOM 672 CE2 TRP A 42 -0.432 3.512 6.607 1.00 0.00 C ATOM 673 CE3 TRP A 42 1.946 3.206 6.318 1.00 0.00 C ATOM 674 CZ2 TRP A 42 -0.481 2.545 7.607 1.00 0.00 C ATOM 675 CZ3 TRP A 42 1.896 2.246 7.311 1.00 0.00 C ATOM 676 CH2 TRP A 42 0.690 1.922 7.945 1.00 0.00 C ATOM 0 H TRP A 42 3.156 6.309 2.477 1.00 0.00 H new ATOM 0 HA TRP A 42 2.715 3.864 3.898 1.00 0.00 H new ATOM 0 HB2 TRP A 42 2.065 6.198 4.633 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.835 6.201 3.385 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.455 5.811 4.516 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.412 4.256 6.350 1.00 0.00 H new ATOM 0 HE3 TRP A 42 2.881 3.448 5.834 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -1.410 2.295 8.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 2.803 1.737 7.603 1.00 0.00 H new ATOM 0 HH2 TRP A 42 0.684 1.166 8.716 1.00 0.00 H new ATOM 687 N PHE A 43 1.291 2.496 2.428 1.00 0.00 N ATOM 688 CA PHE A 43 0.472 1.649 1.569 1.00 0.00 C ATOM 689 C PHE A 43 -0.640 0.976 2.370 1.00 0.00 C ATOM 690 O PHE A 43 -0.499 0.736 3.569 1.00 0.00 O ATOM 691 CB PHE A 43 1.338 0.587 0.888 1.00 0.00 C ATOM 692 CG PHE A 43 1.911 1.035 -0.426 1.00 0.00 C ATOM 693 CD1 PHE A 43 1.165 0.941 -1.590 1.00 0.00 C ATOM 694 CD2 PHE A 43 3.195 1.550 -0.498 1.00 0.00 C ATOM 695 CE1 PHE A 43 1.690 1.351 -2.801 1.00 0.00 C ATOM 696 CE2 PHE A 43 3.726 1.962 -1.706 1.00 0.00 C ATOM 697 CZ PHE A 43 2.972 1.864 -2.859 1.00 0.00 C ATOM 0 H PHE A 43 1.809 1.992 3.148 1.00 0.00 H new ATOM 0 HA PHE A 43 0.017 2.281 0.806 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.154 0.311 1.556 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.740 -0.310 0.728 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.162 0.543 -1.550 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.788 1.631 0.401 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.099 1.271 -3.701 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.729 2.360 -1.748 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.383 2.188 -3.804 1.00 0.00 H new ATOM 707 N VAL A 44 -1.746 0.676 1.698 1.00 0.00 N ATOM 708 CA VAL A 44 -2.883 0.031 2.345 1.00 0.00 C ATOM 709 C VAL A 44 -3.554 -0.968 1.409 1.00 0.00 C ATOM 710 O VAL A 44 -3.824 -0.662 0.247 1.00 0.00 O ATOM 711 CB VAL A 44 -3.926 1.065 2.808 1.00 0.00 C ATOM 712 CG1 VAL A 44 -5.201 0.371 3.262 1.00 0.00 C ATOM 713 CG2 VAL A 44 -3.358 1.934 3.919 1.00 0.00 C ATOM 0 H VAL A 44 -1.880 0.869 0.705 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.494 -0.497 3.216 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.172 1.709 1.964 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.926 1.118 3.586 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.617 -0.204 2.435 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.975 -0.299 4.092 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.109 2.659 4.234 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.082 1.307 4.766 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.476 2.460 3.554 1.00 0.00 H new ATOM 723 N LEU A 45 -3.821 -2.164 1.923 1.00 0.00 N ATOM 724 CA LEU A 45 -4.462 -3.210 1.133 1.00 0.00 C ATOM 725 C LEU A 45 -5.945 -3.319 1.475 1.00 0.00 C ATOM 726 O LEU A 45 -6.312 -3.830 2.532 1.00 0.00 O ATOM 727 CB LEU A 45 -3.772 -4.553 1.373 1.00 0.00 C ATOM 728 CG LEU A 45 -3.821 -5.550 0.215 1.00 0.00 C ATOM 729 CD1 LEU A 45 -5.176 -6.239 0.161 1.00 0.00 C ATOM 730 CD2 LEU A 45 -3.523 -4.851 -1.103 1.00 0.00 C ATOM 0 H LEU A 45 -3.604 -2.433 2.883 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.369 -2.944 0.080 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.727 -4.363 1.618 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.225 -5.020 2.248 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.057 -6.309 0.381 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.192 -6.945 -0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.350 -6.773 1.095 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.958 -5.493 0.019 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.562 -5.576 -1.916 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.264 -4.071 -1.277 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.529 -4.405 -1.062 1.00 0.00 H new ATOM 742 N SER A 46 -6.792 -2.836 0.571 1.00 0.00 N ATOM 743 CA SER A 46 -8.235 -2.878 0.778 1.00 0.00 C ATOM 744 C SER A 46 -8.962 -3.185 -0.528 1.00 0.00 C ATOM 745 O SER A 46 -8.476 -2.864 -1.612 1.00 0.00 O ATOM 746 CB SER A 46 -8.729 -1.547 1.348 1.00 0.00 C ATOM 747 OG SER A 46 -9.065 -0.641 0.311 1.00 0.00 O ATOM 0 H SER A 46 -6.504 -2.412 -0.311 1.00 0.00 H new ATOM 0 HA SER A 46 -8.452 -3.673 1.491 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.600 -1.720 1.981 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.957 -1.110 1.981 1.00 0.00 H new ATOM 0 HG SER A 46 -9.379 0.201 0.701 1.00 0.00 H new ATOM 753 N ASP A 47 -10.129 -3.810 -0.415 1.00 0.00 N ATOM 754 CA ASP A 47 -10.925 -4.161 -1.585 1.00 0.00 C ATOM 755 C ASP A 47 -10.044 -4.740 -2.688 1.00 0.00 C ATOM 756 O ASP A 47 -10.261 -4.479 -3.872 1.00 0.00 O ATOM 757 CB ASP A 47 -11.674 -2.934 -2.105 1.00 0.00 C ATOM 758 CG ASP A 47 -12.914 -3.304 -2.896 1.00 0.00 C ATOM 759 OD1 ASP A 47 -13.836 -3.904 -2.306 1.00 0.00 O ATOM 760 OD2 ASP A 47 -12.961 -2.996 -4.106 1.00 0.00 O ATOM 0 H ASP A 47 -10.545 -4.084 0.475 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.649 -4.920 -1.287 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.959 -2.302 -1.264 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -11.007 -2.345 -2.735 1.00 0.00 H new ATOM 765 N LEU A 48 -9.049 -5.526 -2.292 1.00 0.00 N ATOM 766 CA LEU A 48 -8.133 -6.141 -3.246 1.00 0.00 C ATOM 767 C LEU A 48 -7.537 -5.094 -4.182 1.00 0.00 C ATOM 768 O LEU A 48 -7.409 -5.324 -5.385 1.00 0.00 O ATOM 769 CB LEU A 48 -8.858 -7.215 -4.059 1.00 0.00 C ATOM 770 CG LEU A 48 -9.356 -8.429 -3.275 1.00 0.00 C ATOM 771 CD1 LEU A 48 -8.184 -9.218 -2.712 1.00 0.00 C ATOM 772 CD2 LEU A 48 -10.294 -7.994 -2.158 1.00 0.00 C ATOM 0 H LEU A 48 -8.856 -5.753 -1.316 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.321 -6.604 -2.686 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.712 -6.753 -4.554 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.186 -7.565 -4.843 1.00 0.00 H new ATOM 0 HG LEU A 48 -9.909 -9.076 -3.956 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.558 -10.078 -2.157 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.550 -9.561 -3.530 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.603 -8.581 -2.045 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -10.639 -8.871 -1.610 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -9.765 -7.326 -1.478 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -11.151 -7.473 -2.585 1.00 0.00 H new ATOM 784 N CYS A 49 -7.173 -3.946 -3.622 1.00 0.00 N ATOM 785 CA CYS A 49 -6.589 -2.864 -4.406 1.00 0.00 C ATOM 786 C CYS A 49 -5.493 -2.153 -3.620 1.00 0.00 C ATOM 787 O CYS A 49 -5.494 -2.159 -2.388 1.00 0.00 O ATOM 788 CB CYS A 49 -7.670 -1.862 -4.816 1.00 0.00 C ATOM 789 SG CYS A 49 -7.084 -0.553 -5.917 1.00 0.00 S ATOM 0 H CYS A 49 -7.272 -3.740 -2.628 1.00 0.00 H new ATOM 0 HA CYS A 49 -6.146 -3.297 -5.303 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.481 -2.400 -5.308 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -8.088 -1.407 -3.918 1.00 0.00 H new ATOM 0 HG CYS A 49 -7.328 0.606 -5.381 1.00 0.00 H new ATOM 795 N LEU A 50 -4.557 -1.543 -4.339 1.00 0.00 N ATOM 796 CA LEU A 50 -3.452 -0.828 -3.709 1.00 0.00 C ATOM 797 C LEU A 50 -3.774 0.656 -3.566 1.00 0.00 C ATOM 798 O LEU A 50 -4.196 1.305 -4.523 1.00 0.00 O ATOM 799 CB LEU A 50 -2.171 -1.008 -4.525 1.00 0.00 C ATOM 800 CG LEU A 50 -1.304 -2.212 -4.157 1.00 0.00 C ATOM 801 CD1 LEU A 50 0.018 -2.168 -4.909 1.00 0.00 C ATOM 802 CD2 LEU A 50 -1.064 -2.258 -2.655 1.00 0.00 C ATOM 0 H LEU A 50 -4.541 -1.529 -5.359 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.303 -1.245 -2.713 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.443 -1.090 -5.577 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.568 -0.106 -4.421 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.834 -3.119 -4.448 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.622 -3.033 -4.634 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.173 -2.185 -5.982 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.554 -1.255 -4.650 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.445 -3.122 -2.412 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.556 -1.347 -2.340 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.019 -2.339 -2.136 1.00 0.00 H new ATOM 814 N PHE A 51 -3.571 1.187 -2.365 1.00 0.00 N ATOM 815 CA PHE A 51 -3.838 2.596 -2.098 1.00 0.00 C ATOM 816 C PHE A 51 -2.782 3.182 -1.166 1.00 0.00 C ATOM 817 O PHE A 51 -2.461 2.600 -0.129 1.00 0.00 O ATOM 818 CB PHE A 51 -5.228 2.764 -1.481 1.00 0.00 C ATOM 819 CG PHE A 51 -6.335 2.227 -2.343 1.00 0.00 C ATOM 820 CD1 PHE A 51 -6.586 2.773 -3.591 1.00 0.00 C ATOM 821 CD2 PHE A 51 -7.125 1.176 -1.904 1.00 0.00 C ATOM 822 CE1 PHE A 51 -7.604 2.280 -4.387 1.00 0.00 C ATOM 823 CE2 PHE A 51 -8.143 0.680 -2.695 1.00 0.00 C ATOM 824 CZ PHE A 51 -8.384 1.233 -3.938 1.00 0.00 C ATOM 0 H PHE A 51 -3.223 0.664 -1.562 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.800 3.134 -3.045 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.252 2.258 -0.516 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.407 3.822 -1.291 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -5.980 3.593 -3.947 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -6.943 0.740 -0.933 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -7.789 2.714 -5.359 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -8.751 -0.140 -2.342 1.00 0.00 H new ATOM 0 HZ PHE A 51 -9.181 0.847 -4.557 1.00 0.00 H new ATOM 834 N TYR A 52 -2.245 4.337 -1.543 1.00 0.00 N ATOM 835 CA TYR A 52 -1.222 5.002 -0.743 1.00 0.00 C ATOM 836 C TYR A 52 -1.553 6.479 -0.555 1.00 0.00 C ATOM 837 O TYR A 52 -2.398 7.033 -1.259 1.00 0.00 O ATOM 838 CB TYR A 52 0.148 4.855 -1.406 1.00 0.00 C ATOM 839 CG TYR A 52 0.130 5.104 -2.897 1.00 0.00 C ATOM 840 CD1 TYR A 52 0.099 6.397 -3.405 1.00 0.00 C ATOM 841 CD2 TYR A 52 0.142 4.046 -3.798 1.00 0.00 C ATOM 842 CE1 TYR A 52 0.081 6.629 -4.767 1.00 0.00 C ATOM 843 CE2 TYR A 52 0.125 4.269 -5.161 1.00 0.00 C ATOM 844 CZ TYR A 52 0.095 5.562 -5.641 1.00 0.00 C ATOM 845 OH TYR A 52 0.077 5.788 -6.998 1.00 0.00 O ATOM 0 H TYR A 52 -2.501 4.832 -2.397 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.197 4.526 0.237 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.845 5.551 -0.939 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.527 3.850 -1.219 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.089 7.235 -2.724 1.00 0.00 H new ATOM 0 HD2 TYR A 52 0.165 3.032 -3.426 1.00 0.00 H new ATOM 0 HE1 TYR A 52 0.056 7.640 -5.145 1.00 0.00 H new ATOM 0 HE2 TYR A 52 0.135 3.435 -5.848 1.00 0.00 H new ATOM 0 HH TYR A 52 0.091 4.931 -7.473 1.00 0.00 H new ATOM 855 N TYR A 53 -0.881 7.112 0.400 1.00 0.00 N ATOM 856 CA TYR A 53 -1.103 8.524 0.684 1.00 0.00 C ATOM 857 C TYR A 53 0.198 9.211 1.087 1.00 0.00 C ATOM 858 O TYR A 53 1.159 8.556 1.491 1.00 0.00 O ATOM 859 CB TYR A 53 -2.143 8.686 1.795 1.00 0.00 C ATOM 860 CG TYR A 53 -3.280 7.692 1.709 1.00 0.00 C ATOM 861 CD1 TYR A 53 -3.057 6.334 1.893 1.00 0.00 C ATOM 862 CD2 TYR A 53 -4.577 8.114 1.444 1.00 0.00 C ATOM 863 CE1 TYR A 53 -4.093 5.423 1.815 1.00 0.00 C ATOM 864 CE2 TYR A 53 -5.619 7.210 1.366 1.00 0.00 C ATOM 865 CZ TYR A 53 -5.372 5.866 1.551 1.00 0.00 C ATOM 866 OH TYR A 53 -6.407 4.962 1.473 1.00 0.00 O ATOM 0 H TYR A 53 -0.177 6.669 0.991 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.475 8.996 -0.225 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.650 8.579 2.761 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.551 9.696 1.755 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -2.057 5.984 2.101 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.774 9.166 1.297 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.902 4.370 1.960 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.622 7.554 1.161 1.00 0.00 H new ATOM 0 HH TYR A 53 -7.243 5.437 1.282 1.00 0.00 H new ATOM 876 N ARG A 54 0.221 10.535 0.975 1.00 0.00 N ATOM 877 CA ARG A 54 1.403 11.311 1.326 1.00 0.00 C ATOM 878 C ARG A 54 2.045 10.778 2.604 1.00 0.00 C ATOM 879 O ARG A 54 3.264 10.628 2.682 1.00 0.00 O ATOM 880 CB ARG A 54 1.037 12.786 1.504 1.00 0.00 C ATOM 881 CG ARG A 54 -0.055 13.261 0.560 1.00 0.00 C ATOM 882 CD ARG A 54 -1.437 13.076 1.168 1.00 0.00 C ATOM 883 NE ARG A 54 -1.863 14.250 1.925 1.00 0.00 N ATOM 884 CZ ARG A 54 -1.722 14.367 3.241 1.00 0.00 C ATOM 885 NH1 ARG A 54 -1.170 13.386 3.942 1.00 0.00 N ATOM 886 NH2 ARG A 54 -2.135 15.466 3.858 1.00 0.00 N ATOM 0 H ARG A 54 -0.566 11.092 0.644 1.00 0.00 H new ATOM 0 HA ARG A 54 2.122 11.217 0.512 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.713 12.950 2.532 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.928 13.394 1.350 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.101 14.313 0.322 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.008 12.709 -0.378 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.158 12.874 0.376 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.431 12.205 1.823 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.292 15.022 1.416 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.852 12.539 3.471 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.063 13.479 4.952 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.561 16.222 3.322 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.026 15.555 4.868 1.00 0.00 H new ATOM 900 N ASP A 55 1.215 10.493 3.601 1.00 0.00 N ATOM 901 CA ASP A 55 1.700 9.975 4.875 1.00 0.00 C ATOM 902 C ASP A 55 0.683 9.025 5.499 1.00 0.00 C ATOM 903 O ASP A 55 -0.343 8.716 4.894 1.00 0.00 O ATOM 904 CB ASP A 55 1.999 11.126 5.837 1.00 0.00 C ATOM 905 CG ASP A 55 2.964 12.137 5.250 1.00 0.00 C ATOM 906 OD1 ASP A 55 4.095 11.741 4.896 1.00 0.00 O ATOM 907 OD2 ASP A 55 2.589 13.323 5.143 1.00 0.00 O ATOM 0 H ASP A 55 0.203 10.612 3.552 1.00 0.00 H new ATOM 0 HA ASP A 55 2.619 9.421 4.687 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.067 11.627 6.099 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.416 10.724 6.761 1.00 0.00 H new ATOM 912 N GLU A 56 0.976 8.565 6.711 1.00 0.00 N ATOM 913 CA GLU A 56 0.086 7.649 7.415 1.00 0.00 C ATOM 914 C GLU A 56 -1.232 8.332 7.767 1.00 0.00 C ATOM 915 O GLU A 56 -2.200 7.678 8.155 1.00 0.00 O ATOM 916 CB GLU A 56 0.758 7.127 8.687 1.00 0.00 C ATOM 917 CG GLU A 56 1.231 8.228 9.621 1.00 0.00 C ATOM 918 CD GLU A 56 1.280 7.783 11.070 1.00 0.00 C ATOM 919 OE1 GLU A 56 0.213 7.747 11.717 1.00 0.00 O ATOM 920 OE2 GLU A 56 2.387 7.469 11.556 1.00 0.00 O ATOM 0 H GLU A 56 1.822 8.811 7.225 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.126 6.809 6.753 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.057 6.485 9.221 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.610 6.507 8.409 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.223 8.559 9.313 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.566 9.087 9.531 1.00 0.00 H new ATOM 927 N LYS A 57 -1.262 9.653 7.628 1.00 0.00 N ATOM 928 CA LYS A 57 -2.460 10.428 7.930 1.00 0.00 C ATOM 929 C LYS A 57 -3.661 9.897 7.154 1.00 0.00 C ATOM 930 O LYS A 57 -4.806 10.087 7.561 1.00 0.00 O ATOM 931 CB LYS A 57 -2.235 11.904 7.595 1.00 0.00 C ATOM 932 CG LYS A 57 -1.432 12.651 8.646 1.00 0.00 C ATOM 933 CD LYS A 57 -1.772 14.132 8.660 1.00 0.00 C ATOM 934 CE LYS A 57 -1.018 14.887 7.576 1.00 0.00 C ATOM 935 NZ LYS A 57 -1.440 16.313 7.497 1.00 0.00 N ATOM 0 H LYS A 57 -0.470 10.210 7.308 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.666 10.331 8.996 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.720 11.976 6.637 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.202 12.392 7.474 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.629 12.222 9.629 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.367 12.523 8.450 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.845 14.262 8.516 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.528 14.553 9.635 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.052 14.836 7.775 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.187 14.405 6.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.903 16.793 6.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.456 16.363 7.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.256 16.781 8.408 1.00 0.00 H new ATOM 949 N GLU A 58 -3.390 9.229 6.037 1.00 0.00 N ATOM 950 CA GLU A 58 -4.449 8.670 5.206 1.00 0.00 C ATOM 951 C GLU A 58 -5.454 9.748 4.807 1.00 0.00 C ATOM 952 O GLU A 58 -6.656 9.601 5.024 1.00 0.00 O ATOM 953 CB GLU A 58 -5.166 7.539 5.946 1.00 0.00 C ATOM 954 CG GLU A 58 -4.472 6.193 5.818 1.00 0.00 C ATOM 955 CD GLU A 58 -5.308 5.052 6.364 1.00 0.00 C ATOM 956 OE1 GLU A 58 -6.182 4.552 5.626 1.00 0.00 O ATOM 957 OE2 GLU A 58 -5.088 4.659 7.529 1.00 0.00 O ATOM 0 H GLU A 58 -2.447 9.062 5.687 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.992 8.270 4.301 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.245 7.799 7.002 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.183 7.452 5.563 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.246 6.003 4.769 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.520 6.227 6.348 1.00 0.00 H new ATOM 964 N GLU A 59 -4.950 10.831 4.223 1.00 0.00 N ATOM 965 CA GLU A 59 -5.803 11.934 3.796 1.00 0.00 C ATOM 966 C GLU A 59 -5.649 12.193 2.300 1.00 0.00 C ATOM 967 O GLU A 59 -4.663 12.782 1.859 1.00 0.00 O ATOM 968 CB GLU A 59 -5.466 13.203 4.582 1.00 0.00 C ATOM 969 CG GLU A 59 -5.705 13.074 6.077 1.00 0.00 C ATOM 970 CD GLU A 59 -7.178 13.036 6.431 1.00 0.00 C ATOM 971 OE1 GLU A 59 -7.887 14.020 6.134 1.00 0.00 O ATOM 972 OE2 GLU A 59 -7.624 12.020 7.005 1.00 0.00 O ATOM 0 H GLU A 59 -3.957 10.968 4.035 1.00 0.00 H new ATOM 0 HA GLU A 59 -6.838 11.657 3.995 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.421 13.460 4.410 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -6.064 14.029 4.197 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.224 12.166 6.441 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.233 13.912 6.590 1.00 0.00 H new ATOM 979 N GLY A 60 -6.632 11.747 1.523 1.00 0.00 N ATOM 980 CA GLY A 60 -6.587 11.939 0.086 1.00 0.00 C ATOM 981 C GLY A 60 -5.606 11.003 -0.593 1.00 0.00 C ATOM 982 O GLY A 60 -4.408 11.036 -0.309 1.00 0.00 O ATOM 0 H GLY A 60 -7.459 11.256 1.864 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.582 11.782 -0.330 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.310 12.971 -0.131 1.00 0.00 H new ATOM 986 N ILE A 61 -6.114 10.166 -1.491 1.00 0.00 N ATOM 987 CA ILE A 61 -5.275 9.217 -2.212 1.00 0.00 C ATOM 988 C ILE A 61 -4.548 9.894 -3.369 1.00 0.00 C ATOM 989 O ILE A 61 -5.162 10.587 -4.181 1.00 0.00 O ATOM 990 CB ILE A 61 -6.100 8.037 -2.759 1.00 0.00 C ATOM 991 CG1 ILE A 61 -6.661 7.202 -1.606 1.00 0.00 C ATOM 992 CG2 ILE A 61 -5.247 7.176 -3.679 1.00 0.00 C ATOM 993 CD1 ILE A 61 -7.566 6.078 -2.060 1.00 0.00 C ATOM 0 H ILE A 61 -7.103 10.126 -1.737 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.544 8.838 -1.498 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.936 8.433 -3.336 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.833 6.783 -1.035 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.215 7.854 -0.931 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.844 6.346 -4.058 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.892 7.778 -4.515 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.394 6.786 -3.124 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.927 5.528 -1.191 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.414 6.492 -2.606 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.010 5.403 -2.711 1.00 0.00 H new ATOM 1005 N LEU A 62 -3.237 9.688 -3.438 1.00 0.00 N ATOM 1006 CA LEU A 62 -2.426 10.277 -4.498 1.00 0.00 C ATOM 1007 C LEU A 62 -2.523 9.456 -5.779 1.00 0.00 C ATOM 1008 O LEU A 62 -2.388 9.986 -6.881 1.00 0.00 O ATOM 1009 CB LEU A 62 -0.966 10.378 -4.052 1.00 0.00 C ATOM 1010 CG LEU A 62 -0.732 10.558 -2.552 1.00 0.00 C ATOM 1011 CD1 LEU A 62 0.732 10.858 -2.272 1.00 0.00 C ATOM 1012 CD2 LEU A 62 -1.620 11.665 -2.003 1.00 0.00 C ATOM 0 H LEU A 62 -2.714 9.118 -2.773 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.808 11.277 -4.701 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.446 9.476 -4.375 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.505 11.216 -4.574 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.993 9.627 -2.049 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.879 10.983 -1.199 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.347 10.032 -2.629 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.021 11.774 -2.787 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.440 11.779 -0.934 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.391 12.601 -2.512 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.666 11.408 -2.169 1.00 0.00 H new ATOM 1024 N GLY A 63 -2.761 8.156 -5.626 1.00 0.00 N ATOM 1025 CA GLY A 63 -2.874 7.282 -6.779 1.00 0.00 C ATOM 1026 C GLY A 63 -3.160 5.845 -6.392 1.00 0.00 C ATOM 1027 O GLY A 63 -2.486 5.282 -5.529 1.00 0.00 O ATOM 0 H GLY A 63 -2.877 7.693 -4.724 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.670 7.645 -7.429 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.949 7.323 -7.354 1.00 0.00 H new ATOM 1031 N SER A 64 -4.163 5.250 -7.029 1.00 0.00 N ATOM 1032 CA SER A 64 -4.541 3.871 -6.742 1.00 0.00 C ATOM 1033 C SER A 64 -3.939 2.918 -7.770 1.00 0.00 C ATOM 1034 O SER A 64 -3.759 3.277 -8.934 1.00 0.00 O ATOM 1035 CB SER A 64 -6.064 3.729 -6.729 1.00 0.00 C ATOM 1036 OG SER A 64 -6.645 4.364 -7.854 1.00 0.00 O ATOM 0 H SER A 64 -4.729 5.701 -7.748 1.00 0.00 H new ATOM 0 HA SER A 64 -4.151 3.611 -5.758 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.334 2.673 -6.724 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.465 4.165 -5.814 1.00 0.00 H new ATOM 0 HG SER A 64 -7.619 4.257 -7.823 1.00 0.00 H new ATOM 1042 N ILE A 65 -3.630 1.703 -7.331 1.00 0.00 N ATOM 1043 CA ILE A 65 -3.049 0.697 -8.212 1.00 0.00 C ATOM 1044 C ILE A 65 -3.863 -0.592 -8.187 1.00 0.00 C ATOM 1045 O ILE A 65 -4.074 -1.186 -7.129 1.00 0.00 O ATOM 1046 CB ILE A 65 -1.594 0.379 -7.821 1.00 0.00 C ATOM 1047 CG1 ILE A 65 -0.659 1.492 -8.300 1.00 0.00 C ATOM 1048 CG2 ILE A 65 -1.170 -0.962 -8.401 1.00 0.00 C ATOM 1049 CD1 ILE A 65 0.713 1.444 -7.665 1.00 0.00 C ATOM 0 H ILE A 65 -3.772 1.391 -6.370 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.063 1.114 -9.219 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.531 0.319 -6.734 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.552 1.425 -9.383 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.117 2.458 -8.085 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.139 -1.172 -8.116 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.821 -1.747 -8.016 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.246 -0.929 -9.488 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.321 2.262 -8.051 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.617 1.542 -6.584 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.191 0.493 -7.902 1.00 0.00 H new ATOM 1061 N LEU A 66 -4.318 -1.020 -9.359 1.00 0.00 N ATOM 1062 CA LEU A 66 -5.109 -2.241 -9.474 1.00 0.00 C ATOM 1063 C LEU A 66 -4.211 -3.474 -9.463 1.00 0.00 C ATOM 1064 O LEU A 66 -3.467 -3.722 -10.413 1.00 0.00 O ATOM 1065 CB LEU A 66 -5.942 -2.214 -10.756 1.00 0.00 C ATOM 1066 CG LEU A 66 -7.351 -1.632 -10.629 1.00 0.00 C ATOM 1067 CD1 LEU A 66 -8.223 -2.530 -9.765 1.00 0.00 C ATOM 1068 CD2 LEU A 66 -7.296 -0.224 -10.054 1.00 0.00 C ATOM 0 H LEU A 66 -4.153 -0.540 -10.244 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.778 -2.294 -8.615 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.399 -1.639 -11.506 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -6.024 -3.233 -11.134 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.794 -1.579 -11.624 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.222 -2.100 -9.686 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.288 -3.519 -10.219 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.785 -2.615 -8.771 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.307 0.175 -9.971 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.834 -0.252 -9.067 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.707 0.415 -10.712 1.00 0.00 H new ATOM 1080 N LEU A 67 -4.287 -4.245 -8.383 1.00 0.00 N ATOM 1081 CA LEU A 67 -3.483 -5.454 -8.249 1.00 0.00 C ATOM 1082 C LEU A 67 -3.962 -6.537 -9.211 1.00 0.00 C ATOM 1083 O LEU A 67 -3.170 -7.232 -9.848 1.00 0.00 O ATOM 1084 CB LEU A 67 -3.541 -5.972 -6.811 1.00 0.00 C ATOM 1085 CG LEU A 67 -2.553 -5.339 -5.830 1.00 0.00 C ATOM 1086 CD1 LEU A 67 -2.816 -5.833 -4.415 1.00 0.00 C ATOM 1087 CD2 LEU A 67 -1.121 -5.642 -6.245 1.00 0.00 C ATOM 0 H LEU A 67 -4.897 -4.054 -7.588 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.452 -5.204 -8.498 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.550 -5.817 -6.430 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.368 -7.048 -6.826 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.694 -4.258 -5.848 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.104 -5.372 -3.731 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.830 -5.565 -4.118 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.703 -6.917 -4.381 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.432 -5.184 -5.536 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.966 -6.721 -6.256 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.938 -5.239 -7.241 1.00 0.00 H new ATOM 1099 N PRO A 68 -5.291 -6.683 -9.322 1.00 0.00 N ATOM 1100 CA PRO A 68 -5.907 -7.677 -10.207 1.00 0.00 C ATOM 1101 C PRO A 68 -5.305 -7.658 -11.608 1.00 0.00 C ATOM 1102 O PRO A 68 -5.340 -8.659 -12.323 1.00 0.00 O ATOM 1103 CB PRO A 68 -7.376 -7.252 -10.249 1.00 0.00 C ATOM 1104 CG PRO A 68 -7.598 -6.526 -8.968 1.00 0.00 C ATOM 1105 CD PRO A 68 -6.295 -5.890 -8.593 1.00 0.00 C ATOM 0 HA PRO A 68 -5.754 -8.694 -9.847 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.578 -6.611 -11.107 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -8.036 -8.116 -10.334 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -8.376 -5.772 -9.082 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.931 -7.212 -8.189 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -6.264 -4.840 -8.885 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.128 -5.926 -7.516 1.00 0.00 H new ATOM 1113 N SER A 69 -4.754 -6.512 -11.994 1.00 0.00 N ATOM 1114 CA SER A 69 -4.147 -6.361 -13.312 1.00 0.00 C ATOM 1115 C SER A 69 -2.653 -6.666 -13.260 1.00 0.00 C ATOM 1116 O SER A 69 -2.052 -7.052 -14.263 1.00 0.00 O ATOM 1117 CB SER A 69 -4.373 -4.944 -13.841 1.00 0.00 C ATOM 1118 OG SER A 69 -5.688 -4.791 -14.345 1.00 0.00 O ATOM 0 H SER A 69 -4.715 -5.674 -11.413 1.00 0.00 H new ATOM 0 HA SER A 69 -4.621 -7.073 -13.988 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.200 -4.223 -13.042 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.651 -4.727 -14.628 1.00 0.00 H new ATOM 0 HG SER A 69 -5.807 -3.876 -14.675 1.00 0.00 H new ATOM 1124 N PHE A 70 -2.060 -6.489 -12.085 1.00 0.00 N ATOM 1125 CA PHE A 70 -0.636 -6.743 -11.901 1.00 0.00 C ATOM 1126 C PHE A 70 -0.368 -8.236 -11.730 1.00 0.00 C ATOM 1127 O PHE A 70 -1.277 -9.009 -11.432 1.00 0.00 O ATOM 1128 CB PHE A 70 -0.112 -5.977 -10.684 1.00 0.00 C ATOM 1129 CG PHE A 70 0.393 -4.602 -11.014 1.00 0.00 C ATOM 1130 CD1 PHE A 70 1.598 -4.432 -11.675 1.00 0.00 C ATOM 1131 CD2 PHE A 70 -0.339 -3.478 -10.663 1.00 0.00 C ATOM 1132 CE1 PHE A 70 2.066 -3.167 -11.978 1.00 0.00 C ATOM 1133 CE2 PHE A 70 0.123 -2.211 -10.964 1.00 0.00 C ATOM 1134 CZ PHE A 70 1.327 -2.055 -11.624 1.00 0.00 C ATOM 0 H PHE A 70 -2.543 -6.170 -11.245 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.113 -6.397 -12.792 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.909 -5.895 -9.945 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.692 -6.550 -10.223 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.179 -5.298 -11.957 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -1.281 -3.594 -10.148 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.009 -3.048 -12.491 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -0.456 -1.344 -10.684 1.00 0.00 H new ATOM 0 HZ PHE A 70 1.689 -1.066 -11.862 1.00 0.00 H new ATOM 1144 N GLN A 71 0.887 -8.631 -11.922 1.00 0.00 N ATOM 1145 CA GLN A 71 1.275 -10.030 -11.791 1.00 0.00 C ATOM 1146 C GLN A 71 2.398 -10.191 -10.772 1.00 0.00 C ATOM 1147 O GLN A 71 3.545 -9.830 -11.036 1.00 0.00 O ATOM 1148 CB GLN A 71 1.716 -10.588 -13.146 1.00 0.00 C ATOM 1149 CG GLN A 71 2.726 -11.719 -13.038 1.00 0.00 C ATOM 1150 CD GLN A 71 2.785 -12.569 -14.292 1.00 0.00 C ATOM 1151 OE1 GLN A 71 2.362 -13.726 -14.292 1.00 0.00 O ATOM 1152 NE2 GLN A 71 3.312 -12.000 -15.369 1.00 0.00 N ATOM 0 H GLN A 71 1.651 -8.002 -12.169 1.00 0.00 H new ATOM 0 HA GLN A 71 0.408 -10.590 -11.440 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.839 -10.945 -13.685 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.148 -9.782 -13.739 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.713 -11.302 -12.839 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.470 -12.350 -12.187 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.650 -11.039 -15.324 1.00 0.00 H new ATOM 0 HE22 GLN A 71 3.379 -12.524 -16.242 1.00 0.00 H new ATOM 1161 N ILE A 72 2.060 -10.733 -9.607 1.00 0.00 N ATOM 1162 CA ILE A 72 3.040 -10.942 -8.549 1.00 0.00 C ATOM 1163 C ILE A 72 3.852 -12.209 -8.794 1.00 0.00 C ATOM 1164 O ILE A 72 3.315 -13.316 -8.774 1.00 0.00 O ATOM 1165 CB ILE A 72 2.366 -11.037 -7.168 1.00 0.00 C ATOM 1166 CG1 ILE A 72 1.172 -10.083 -7.092 1.00 0.00 C ATOM 1167 CG2 ILE A 72 3.369 -10.727 -6.066 1.00 0.00 C ATOM 1168 CD1 ILE A 72 1.527 -8.645 -7.403 1.00 0.00 C ATOM 0 H ILE A 72 1.115 -11.035 -9.372 1.00 0.00 H new ATOM 0 HA ILE A 72 3.706 -10.079 -8.561 1.00 0.00 H new ATOM 0 HB ILE A 72 2.003 -12.055 -7.027 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.404 -10.418 -7.789 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.739 -10.134 -6.093 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.877 -10.798 -5.096 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.190 -11.442 -6.110 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.759 -9.718 -6.202 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.633 -8.026 -7.330 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.272 -8.292 -6.690 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.932 -8.580 -8.413 1.00 0.00 H new ATOM 1180 N ALA A 73 5.150 -12.038 -9.023 1.00 0.00 N ATOM 1181 CA ALA A 73 6.038 -13.168 -9.267 1.00 0.00 C ATOM 1182 C ALA A 73 7.437 -12.894 -8.727 1.00 0.00 C ATOM 1183 O ALA A 73 7.955 -11.783 -8.850 1.00 0.00 O ATOM 1184 CB ALA A 73 6.097 -13.480 -10.755 1.00 0.00 C ATOM 0 H ALA A 73 5.610 -11.128 -9.045 1.00 0.00 H new ATOM 0 HA ALA A 73 5.637 -14.034 -8.740 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.764 -14.326 -10.923 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.098 -13.728 -11.115 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.471 -12.610 -11.295 1.00 0.00 H new ATOM 1190 N LEU A 74 8.044 -13.912 -8.127 1.00 0.00 N ATOM 1191 CA LEU A 74 9.385 -13.781 -7.566 1.00 0.00 C ATOM 1192 C LEU A 74 10.349 -13.193 -8.592 1.00 0.00 C ATOM 1193 O LEU A 74 10.361 -13.602 -9.753 1.00 0.00 O ATOM 1194 CB LEU A 74 9.895 -15.142 -7.090 1.00 0.00 C ATOM 1195 CG LEU A 74 9.520 -15.537 -5.661 1.00 0.00 C ATOM 1196 CD1 LEU A 74 10.499 -14.934 -4.666 1.00 0.00 C ATOM 1197 CD2 LEU A 74 8.097 -15.102 -5.344 1.00 0.00 C ATOM 0 H LEU A 74 7.629 -14.837 -8.016 1.00 0.00 H new ATOM 0 HA LEU A 74 9.332 -13.102 -6.715 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.517 -15.907 -7.768 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.982 -15.150 -7.175 1.00 0.00 H new ATOM 0 HG LEU A 74 9.573 -16.623 -5.578 1.00 0.00 H new ATOM 0 HD11 LEU A 74 10.216 -15.226 -3.655 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.505 -15.296 -4.880 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.479 -13.847 -4.749 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.847 -15.391 -4.323 1.00 0.00 H new ATOM 0 HD22 LEU A 74 8.016 -14.020 -5.445 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.407 -15.583 -6.037 1.00 0.00 H new ATOM 1209 N LEU A 75 11.157 -12.234 -8.154 1.00 0.00 N ATOM 1210 CA LEU A 75 12.128 -11.591 -9.034 1.00 0.00 C ATOM 1211 C LEU A 75 12.847 -12.623 -9.897 1.00 0.00 C ATOM 1212 O LEU A 75 12.824 -13.819 -9.604 1.00 0.00 O ATOM 1213 CB LEU A 75 13.145 -10.800 -8.211 1.00 0.00 C ATOM 1214 CG LEU A 75 12.589 -9.627 -7.402 1.00 0.00 C ATOM 1215 CD1 LEU A 75 13.719 -8.831 -6.769 1.00 0.00 C ATOM 1216 CD2 LEU A 75 11.732 -8.731 -8.285 1.00 0.00 C ATOM 0 H LEU A 75 11.160 -11.884 -7.196 1.00 0.00 H new ATOM 0 HA LEU A 75 11.590 -10.907 -9.690 1.00 0.00 H new ATOM 0 HB2 LEU A 75 13.639 -11.487 -7.524 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.911 -10.419 -8.886 1.00 0.00 H new ATOM 0 HG LEU A 75 11.962 -10.025 -6.604 1.00 0.00 H new ATOM 0 HD11 LEU A 75 13.304 -8.001 -6.198 1.00 0.00 H new ATOM 0 HD12 LEU A 75 14.292 -9.478 -6.105 1.00 0.00 H new ATOM 0 HD13 LEU A 75 14.373 -8.443 -7.550 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.344 -7.901 -7.694 1.00 0.00 H new ATOM 0 HD22 LEU A 75 12.337 -8.342 -9.104 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.901 -9.308 -8.690 1.00 0.00 H new ATOM 1377 N TYR A 85 14.928 -10.329 -0.783 1.00 0.00 N ATOM 1378 CA TYR A 85 13.609 -10.513 -0.189 1.00 0.00 C ATOM 1379 C TYR A 85 12.600 -9.540 -0.791 1.00 0.00 C ATOM 1380 O TYR A 85 11.753 -8.993 -0.087 1.00 0.00 O ATOM 1381 CB TYR A 85 13.677 -10.322 1.327 1.00 0.00 C ATOM 1382 CG TYR A 85 14.266 -11.506 2.060 1.00 0.00 C ATOM 1383 CD1 TYR A 85 15.360 -12.192 1.547 1.00 0.00 C ATOM 1384 CD2 TYR A 85 13.727 -11.940 3.265 1.00 0.00 C ATOM 1385 CE1 TYR A 85 15.901 -13.275 2.214 1.00 0.00 C ATOM 1386 CE2 TYR A 85 14.262 -13.021 3.939 1.00 0.00 C ATOM 1387 CZ TYR A 85 15.348 -13.685 3.409 1.00 0.00 C ATOM 1388 OH TYR A 85 15.883 -14.763 4.077 1.00 0.00 O ATOM 0 HA TYR A 85 13.280 -11.529 -0.405 1.00 0.00 H new ATOM 0 HB2 TYR A 85 14.273 -9.436 1.547 1.00 0.00 H new ATOM 0 HB3 TYR A 85 12.673 -10.133 1.707 1.00 0.00 H new ATOM 0 HD1 TYR A 85 15.795 -11.874 0.611 1.00 0.00 H new ATOM 0 HD2 TYR A 85 12.875 -11.423 3.682 1.00 0.00 H new ATOM 0 HE1 TYR A 85 16.752 -13.797 1.802 1.00 0.00 H new ATOM 0 HE2 TYR A 85 13.832 -13.344 4.876 1.00 0.00 H new ATOM 0 HH TYR A 85 15.378 -14.920 4.902 1.00 0.00 H new ATOM 1398 N ALA A 86 12.699 -9.329 -2.100 1.00 0.00 N ATOM 1399 CA ALA A 86 11.795 -8.424 -2.798 1.00 0.00 C ATOM 1400 C ALA A 86 11.108 -9.126 -3.965 1.00 0.00 C ATOM 1401 O ALA A 86 11.533 -10.200 -4.393 1.00 0.00 O ATOM 1402 CB ALA A 86 12.550 -7.198 -3.288 1.00 0.00 C ATOM 0 H ALA A 86 13.396 -9.773 -2.698 1.00 0.00 H new ATOM 0 HA ALA A 86 11.025 -8.106 -2.095 1.00 0.00 H new ATOM 0 HB1 ALA A 86 11.862 -6.531 -3.808 1.00 0.00 H new ATOM 0 HB2 ALA A 86 12.988 -6.676 -2.437 1.00 0.00 H new ATOM 0 HB3 ALA A 86 13.341 -7.507 -3.971 1.00 0.00 H new ATOM 1408 N PHE A 87 10.045 -8.514 -4.475 1.00 0.00 N ATOM 1409 CA PHE A 87 9.299 -9.082 -5.592 1.00 0.00 C ATOM 1410 C PHE A 87 8.997 -8.016 -6.642 1.00 0.00 C ATOM 1411 O PHE A 87 9.300 -6.838 -6.453 1.00 0.00 O ATOM 1412 CB PHE A 87 7.995 -9.708 -5.095 1.00 0.00 C ATOM 1413 CG PHE A 87 7.353 -8.946 -3.971 1.00 0.00 C ATOM 1414 CD1 PHE A 87 7.906 -8.965 -2.700 1.00 0.00 C ATOM 1415 CD2 PHE A 87 6.198 -8.212 -4.185 1.00 0.00 C ATOM 1416 CE1 PHE A 87 7.318 -8.264 -1.664 1.00 0.00 C ATOM 1417 CE2 PHE A 87 5.607 -7.509 -3.152 1.00 0.00 C ATOM 1418 CZ PHE A 87 6.167 -7.536 -1.890 1.00 0.00 C ATOM 0 H PHE A 87 9.681 -7.625 -4.133 1.00 0.00 H new ATOM 0 HA PHE A 87 9.914 -9.856 -6.052 1.00 0.00 H new ATOM 0 HB2 PHE A 87 7.293 -9.773 -5.926 1.00 0.00 H new ATOM 0 HB3 PHE A 87 8.194 -10.728 -4.765 1.00 0.00 H new ATOM 0 HD1 PHE A 87 8.806 -9.534 -2.517 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.754 -8.189 -5.169 1.00 0.00 H new ATOM 0 HE1 PHE A 87 7.759 -8.286 -0.678 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.708 -6.939 -3.332 1.00 0.00 H new ATOM 0 HZ PHE A 87 5.705 -6.989 -1.081 1.00 0.00 H new ATOM 1428 N LYS A 88 8.397 -8.439 -7.750 1.00 0.00 N ATOM 1429 CA LYS A 88 8.052 -7.524 -8.831 1.00 0.00 C ATOM 1430 C LYS A 88 6.636 -7.785 -9.334 1.00 0.00 C ATOM 1431 O LYS A 88 6.140 -8.909 -9.263 1.00 0.00 O ATOM 1432 CB LYS A 88 9.049 -7.664 -9.983 1.00 0.00 C ATOM 1433 CG LYS A 88 8.944 -8.988 -10.720 1.00 0.00 C ATOM 1434 CD LYS A 88 9.703 -8.956 -12.036 1.00 0.00 C ATOM 1435 CE LYS A 88 9.114 -9.931 -13.044 1.00 0.00 C ATOM 1436 NZ LYS A 88 7.856 -9.410 -13.649 1.00 0.00 N ATOM 0 H LYS A 88 8.140 -9.411 -7.922 1.00 0.00 H new ATOM 0 HA LYS A 88 8.098 -6.507 -8.441 1.00 0.00 H new ATOM 0 HB2 LYS A 88 8.891 -6.850 -10.691 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.061 -7.554 -9.592 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.337 -9.787 -10.092 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.895 -9.218 -10.909 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.678 -7.947 -12.447 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.750 -9.202 -11.859 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.843 -10.124 -13.831 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.914 -10.884 -12.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 7.243 -10.207 -13.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 7.362 -8.809 -12.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.084 -8.850 -14.495 1.00 0.00 H new ATOM 1450 N ALA A 89 5.992 -6.741 -9.845 1.00 0.00 N ATOM 1451 CA ALA A 89 4.635 -6.859 -10.363 1.00 0.00 C ATOM 1452 C ALA A 89 4.566 -6.428 -11.824 1.00 0.00 C ATOM 1453 O ALA A 89 4.881 -5.286 -12.160 1.00 0.00 O ATOM 1454 CB ALA A 89 3.674 -6.033 -9.521 1.00 0.00 C ATOM 0 H ALA A 89 6.389 -5.804 -9.911 1.00 0.00 H new ATOM 0 HA ALA A 89 4.341 -7.907 -10.306 1.00 0.00 H new ATOM 0 HB1 ALA A 89 2.664 -6.131 -9.920 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.694 -6.390 -8.491 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.975 -4.986 -9.548 1.00 0.00 H new ATOM 1460 N ALA A 90 4.153 -7.348 -12.689 1.00 0.00 N ATOM 1461 CA ALA A 90 4.042 -7.062 -14.114 1.00 0.00 C ATOM 1462 C ALA A 90 2.633 -6.601 -14.474 1.00 0.00 C ATOM 1463 O ALA A 90 1.646 -7.158 -13.993 1.00 0.00 O ATOM 1464 CB ALA A 90 4.423 -8.288 -14.930 1.00 0.00 C ATOM 0 H ALA A 90 3.890 -8.298 -12.428 1.00 0.00 H new ATOM 0 HA ALA A 90 4.732 -6.253 -14.351 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.335 -8.060 -15.992 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.451 -8.571 -14.703 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.756 -9.113 -14.680 1.00 0.00 H new ATOM 1470 N HIS A 91 2.547 -5.581 -15.321 1.00 0.00 N ATOM 1471 CA HIS A 91 1.258 -5.046 -15.745 1.00 0.00 C ATOM 1472 C HIS A 91 1.146 -5.039 -17.266 1.00 0.00 C ATOM 1473 O HIS A 91 2.103 -4.744 -17.982 1.00 0.00 O ATOM 1474 CB HIS A 91 1.067 -3.629 -15.202 1.00 0.00 C ATOM 1475 CG HIS A 91 -0.369 -3.248 -15.015 1.00 0.00 C ATOM 1476 ND1 HIS A 91 -1.140 -2.702 -16.020 1.00 0.00 N ATOM 1477 CD2 HIS A 91 -1.176 -3.338 -13.932 1.00 0.00 C ATOM 1478 CE1 HIS A 91 -2.357 -2.472 -15.563 1.00 0.00 C ATOM 1479 NE2 HIS A 91 -2.406 -2.849 -14.298 1.00 0.00 N ATOM 0 H HIS A 91 3.354 -5.108 -15.727 1.00 0.00 H new ATOM 0 HA HIS A 91 0.476 -5.690 -15.344 1.00 0.00 H new ATOM 0 HB2 HIS A 91 1.585 -3.542 -14.247 1.00 0.00 H new ATOM 0 HB3 HIS A 91 1.536 -2.921 -15.885 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -0.903 -3.723 -12.960 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -3.174 -2.048 -16.128 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -3.224 -2.787 -13.692 1.00 0.00 H new ATOM 1488 N PRO A 92 -0.050 -5.373 -17.774 1.00 0.00 N ATOM 1489 CA PRO A 92 -0.315 -5.413 -19.215 1.00 0.00 C ATOM 1490 C PRO A 92 -0.425 -4.020 -19.823 1.00 0.00 C ATOM 1491 O PRO A 92 0.201 -3.725 -20.840 1.00 0.00 O ATOM 1492 CB PRO A 92 -1.656 -6.145 -19.308 1.00 0.00 C ATOM 1493 CG PRO A 92 -2.334 -5.862 -18.012 1.00 0.00 C ATOM 1494 CD PRO A 92 -1.235 -5.736 -16.979 1.00 0.00 C ATOM 0 HA PRO A 92 0.491 -5.899 -19.765 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.246 -5.784 -20.150 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -1.513 -7.216 -19.454 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -2.920 -4.945 -18.071 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -3.024 -6.664 -17.750 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.469 -4.973 -16.237 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -1.084 -6.671 -16.439 1.00 0.00 H new ATOM 1502 N ASN A 93 -1.226 -3.166 -19.193 1.00 0.00 N ATOM 1503 CA ASN A 93 -1.418 -1.802 -19.673 1.00 0.00 C ATOM 1504 C ASN A 93 -0.427 -0.848 -19.013 1.00 0.00 C ATOM 1505 O ASN A 93 -0.506 0.367 -19.193 1.00 0.00 O ATOM 1506 CB ASN A 93 -2.850 -1.339 -19.397 1.00 0.00 C ATOM 1507 CG ASN A 93 -3.276 -0.203 -20.307 1.00 0.00 C ATOM 1508 OD1 ASN A 93 -2.848 -0.122 -21.459 1.00 0.00 O ATOM 1509 ND2 ASN A 93 -4.123 0.681 -19.793 1.00 0.00 N ATOM 0 H ASN A 93 -1.752 -3.394 -18.350 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.241 -1.794 -20.749 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -3.532 -2.179 -19.526 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.932 -1.019 -18.358 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.445 1.467 -20.358 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.452 0.574 -18.833 1.00 0.00 H new ATOM 1516 N MET A 94 0.505 -1.408 -18.248 1.00 0.00 N ATOM 1517 CA MET A 94 1.512 -0.607 -17.563 1.00 0.00 C ATOM 1518 C MET A 94 2.850 -1.339 -17.517 1.00 0.00 C ATOM 1519 O MET A 94 2.979 -2.448 -18.035 1.00 0.00 O ATOM 1520 CB MET A 94 1.051 -0.275 -16.142 1.00 0.00 C ATOM 1521 CG MET A 94 0.096 0.906 -16.074 1.00 0.00 C ATOM 1522 SD MET A 94 -1.019 0.817 -14.660 1.00 0.00 S ATOM 1523 CE MET A 94 0.147 0.566 -13.324 1.00 0.00 C ATOM 0 H MET A 94 0.583 -2.412 -18.087 1.00 0.00 H new ATOM 0 HA MET A 94 1.643 0.320 -18.121 1.00 0.00 H new ATOM 0 HB2 MET A 94 0.564 -1.151 -15.713 1.00 0.00 H new ATOM 0 HB3 MET A 94 1.924 -0.062 -15.526 1.00 0.00 H new ATOM 0 HG2 MET A 94 0.671 1.831 -16.021 1.00 0.00 H new ATOM 0 HG3 MET A 94 -0.490 0.948 -16.992 1.00 0.00 H new ATOM 0 HE1 MET A 94 -0.394 0.315 -12.412 1.00 0.00 H new ATOM 0 HE2 MET A 94 0.824 -0.249 -13.580 1.00 0.00 H new ATOM 0 HE3 MET A 94 0.721 1.479 -13.166 1.00 0.00 H new ATOM 1533 N ARG A 95 3.842 -0.711 -16.894 1.00 0.00 N ATOM 1534 CA ARG A 95 5.170 -1.303 -16.783 1.00 0.00 C ATOM 1535 C ARG A 95 5.246 -2.247 -15.587 1.00 0.00 C ATOM 1536 O ARG A 95 4.244 -2.499 -14.916 1.00 0.00 O ATOM 1537 CB ARG A 95 6.230 -0.208 -16.650 1.00 0.00 C ATOM 1538 CG ARG A 95 6.168 0.543 -15.330 1.00 0.00 C ATOM 1539 CD ARG A 95 5.252 1.753 -15.420 1.00 0.00 C ATOM 1540 NE ARG A 95 5.653 2.813 -14.498 1.00 0.00 N ATOM 1541 CZ ARG A 95 5.151 4.042 -14.528 1.00 0.00 C ATOM 1542 NH1 ARG A 95 4.234 4.365 -15.429 1.00 0.00 N ATOM 1543 NH2 ARG A 95 5.567 4.951 -13.655 1.00 0.00 N ATOM 0 H ARG A 95 3.751 0.207 -16.459 1.00 0.00 H new ATOM 0 HA ARG A 95 5.362 -1.877 -17.690 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.218 -0.656 -16.757 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.111 0.502 -17.468 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.813 -0.126 -14.546 1.00 0.00 H new ATOM 0 HG3 ARG A 95 7.170 0.864 -15.045 1.00 0.00 H new ATOM 0 HD2 ARG A 95 5.259 2.138 -16.440 1.00 0.00 H new ATOM 0 HD3 ARG A 95 4.228 1.450 -15.201 1.00 0.00 H new ATOM 0 HE ARG A 95 6.357 2.597 -13.792 1.00 0.00 H new ATOM 0 HH11 ARG A 95 3.912 3.669 -16.101 1.00 0.00 H new ATOM 0 HH12 ARG A 95 3.850 5.310 -15.450 1.00 0.00 H new ATOM 0 HH21 ARG A 95 6.273 4.706 -12.961 1.00 0.00 H new ATOM 0 HH22 ARG A 95 5.181 5.895 -13.679 1.00 0.00 H new ATOM 1557 N THR A 96 6.441 -2.767 -15.325 1.00 0.00 N ATOM 1558 CA THR A 96 6.648 -3.684 -14.211 1.00 0.00 C ATOM 1559 C THR A 96 7.110 -2.939 -12.964 1.00 0.00 C ATOM 1560 O THR A 96 8.147 -2.276 -12.973 1.00 0.00 O ATOM 1561 CB THR A 96 7.685 -4.768 -14.561 1.00 0.00 C ATOM 1562 OG1 THR A 96 7.229 -5.539 -15.678 1.00 0.00 O ATOM 1563 CG2 THR A 96 7.932 -5.684 -13.372 1.00 0.00 C ATOM 0 H THR A 96 7.280 -2.569 -15.869 1.00 0.00 H new ATOM 0 HA THR A 96 5.688 -4.160 -14.012 1.00 0.00 H new ATOM 0 HB THR A 96 8.622 -4.274 -14.819 1.00 0.00 H new ATOM 0 HG1 THR A 96 7.894 -6.225 -15.896 1.00 0.00 H new ATOM 0 HG21 THR A 96 8.668 -6.441 -13.643 1.00 0.00 H new ATOM 0 HG22 THR A 96 8.307 -5.098 -12.533 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.999 -6.170 -13.087 1.00 0.00 H new ATOM 1571 N TYR A 97 6.334 -3.053 -11.891 1.00 0.00 N ATOM 1572 CA TYR A 97 6.663 -2.389 -10.636 1.00 0.00 C ATOM 1573 C TYR A 97 7.570 -3.265 -9.777 1.00 0.00 C ATOM 1574 O TYR A 97 7.781 -4.440 -10.076 1.00 0.00 O ATOM 1575 CB TYR A 97 5.387 -2.047 -9.865 1.00 0.00 C ATOM 1576 CG TYR A 97 4.668 -0.827 -10.395 1.00 0.00 C ATOM 1577 CD1 TYR A 97 4.610 -0.566 -11.758 1.00 0.00 C ATOM 1578 CD2 TYR A 97 4.045 0.066 -9.530 1.00 0.00 C ATOM 1579 CE1 TYR A 97 3.956 0.548 -12.246 1.00 0.00 C ATOM 1580 CE2 TYR A 97 3.387 1.182 -10.009 1.00 0.00 C ATOM 1581 CZ TYR A 97 3.345 1.419 -11.367 1.00 0.00 C ATOM 1582 OH TYR A 97 2.691 2.529 -11.849 1.00 0.00 O ATOM 0 H TYR A 97 5.473 -3.599 -11.866 1.00 0.00 H new ATOM 0 HA TYR A 97 7.195 -1.467 -10.871 1.00 0.00 H new ATOM 0 HB2 TYR A 97 4.711 -2.901 -9.901 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.638 -1.884 -8.817 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.085 -1.247 -12.449 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.076 -0.116 -8.466 1.00 0.00 H new ATOM 0 HE1 TYR A 97 3.923 0.736 -13.309 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.908 1.865 -9.324 1.00 0.00 H new ATOM 0 HH TYR A 97 2.315 3.038 -11.101 1.00 0.00 H new ATOM 1592 N TYR A 98 8.103 -2.684 -8.708 1.00 0.00 N ATOM 1593 CA TYR A 98 8.989 -3.409 -7.806 1.00 0.00 C ATOM 1594 C TYR A 98 8.734 -3.012 -6.355 1.00 0.00 C ATOM 1595 O TYR A 98 8.519 -1.838 -6.050 1.00 0.00 O ATOM 1596 CB TYR A 98 10.451 -3.144 -8.170 1.00 0.00 C ATOM 1597 CG TYR A 98 10.927 -3.925 -9.373 1.00 0.00 C ATOM 1598 CD1 TYR A 98 10.595 -3.525 -10.661 1.00 0.00 C ATOM 1599 CD2 TYR A 98 11.709 -5.064 -9.222 1.00 0.00 C ATOM 1600 CE1 TYR A 98 11.028 -4.237 -11.764 1.00 0.00 C ATOM 1601 CE2 TYR A 98 12.147 -5.781 -10.318 1.00 0.00 C ATOM 1602 CZ TYR A 98 11.803 -5.363 -11.587 1.00 0.00 C ATOM 1603 OH TYR A 98 12.236 -6.075 -12.682 1.00 0.00 O ATOM 0 H TYR A 98 7.937 -1.713 -8.445 1.00 0.00 H new ATOM 0 HA TYR A 98 8.782 -4.474 -7.914 1.00 0.00 H new ATOM 0 HB2 TYR A 98 10.581 -2.079 -8.364 1.00 0.00 H new ATOM 0 HB3 TYR A 98 11.080 -3.391 -7.315 1.00 0.00 H new ATOM 0 HD1 TYR A 98 9.988 -2.643 -10.803 1.00 0.00 H new ATOM 0 HD2 TYR A 98 11.979 -5.394 -8.230 1.00 0.00 H new ATOM 0 HE1 TYR A 98 10.761 -3.913 -12.759 1.00 0.00 H new ATOM 0 HE2 TYR A 98 12.755 -6.663 -10.183 1.00 0.00 H new ATOM 0 HH TYR A 98 12.772 -6.839 -12.384 1.00 0.00 H new ATOM 1613 N PHE A 99 8.760 -3.998 -5.465 1.00 0.00 N ATOM 1614 CA PHE A 99 8.531 -3.753 -4.046 1.00 0.00 C ATOM 1615 C PHE A 99 9.414 -4.655 -3.189 1.00 0.00 C ATOM 1616 O PHE A 99 9.581 -5.839 -3.483 1.00 0.00 O ATOM 1617 CB PHE A 99 7.059 -3.982 -3.698 1.00 0.00 C ATOM 1618 CG PHE A 99 6.107 -3.299 -4.638 1.00 0.00 C ATOM 1619 CD1 PHE A 99 5.818 -1.952 -4.493 1.00 0.00 C ATOM 1620 CD2 PHE A 99 5.502 -4.004 -5.665 1.00 0.00 C ATOM 1621 CE1 PHE A 99 4.942 -1.320 -5.357 1.00 0.00 C ATOM 1622 CE2 PHE A 99 4.627 -3.377 -6.532 1.00 0.00 C ATOM 1623 CZ PHE A 99 4.345 -2.034 -6.377 1.00 0.00 C ATOM 0 H PHE A 99 8.937 -4.974 -5.701 1.00 0.00 H new ATOM 0 HA PHE A 99 8.790 -2.715 -3.836 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.855 -5.053 -3.702 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.874 -3.626 -2.684 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.282 -1.389 -3.697 1.00 0.00 H new ATOM 0 HD2 PHE A 99 5.716 -5.055 -5.790 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.725 -0.269 -5.234 1.00 0.00 H new ATOM 0 HE2 PHE A 99 4.164 -3.937 -7.331 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.659 -1.543 -7.052 1.00 0.00 H new ATOM 1633 N CYS A 100 9.978 -4.086 -2.129 1.00 0.00 N ATOM 1634 CA CYS A 100 10.846 -4.838 -1.229 1.00 0.00 C ATOM 1635 C CYS A 100 10.482 -4.569 0.227 1.00 0.00 C ATOM 1636 O CYS A 100 9.812 -3.585 0.541 1.00 0.00 O ATOM 1637 CB CYS A 100 12.310 -4.473 -1.477 1.00 0.00 C ATOM 1638 SG CYS A 100 12.746 -2.790 -0.981 1.00 0.00 S ATOM 0 H CYS A 100 9.850 -3.107 -1.872 1.00 0.00 H new ATOM 0 HA CYS A 100 10.705 -5.900 -1.430 1.00 0.00 H new ATOM 0 HB2 CYS A 100 12.945 -5.175 -0.937 1.00 0.00 H new ATOM 0 HB3 CYS A 100 12.529 -4.596 -2.538 1.00 0.00 H new ATOM 0 HG CYS A 100 12.915 -2.055 -2.040 1.00 0.00 H new ATOM 1644 N THR A 101 10.927 -5.453 1.116 1.00 0.00 N ATOM 1645 CA THR A 101 10.645 -5.314 2.539 1.00 0.00 C ATOM 1646 C THR A 101 11.926 -5.387 3.362 1.00 0.00 C ATOM 1647 O THR A 101 13.026 -5.456 2.812 1.00 0.00 O ATOM 1648 CB THR A 101 9.671 -6.402 3.028 1.00 0.00 C ATOM 1649 OG1 THR A 101 10.173 -7.699 2.685 1.00 0.00 O ATOM 1650 CG2 THR A 101 8.292 -6.208 2.417 1.00 0.00 C ATOM 0 H THR A 101 11.484 -6.273 0.875 1.00 0.00 H new ATOM 0 HA THR A 101 10.183 -4.336 2.676 1.00 0.00 H new ATOM 0 HB THR A 101 9.585 -6.321 4.112 1.00 0.00 H new ATOM 0 HG1 THR A 101 10.297 -8.228 3.501 1.00 0.00 H new ATOM 0 HG21 THR A 101 7.621 -6.988 2.777 1.00 0.00 H new ATOM 0 HG22 THR A 101 7.901 -5.232 2.704 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.364 -6.264 1.331 1.00 0.00 H new ATOM 1658 N ASP A 102 11.777 -5.372 4.682 1.00 0.00 N ATOM 1659 CA ASP A 102 12.923 -5.438 5.582 1.00 0.00 C ATOM 1660 C ASP A 102 13.302 -6.887 5.873 1.00 0.00 C ATOM 1661 O ASP A 102 14.482 -7.225 5.969 1.00 0.00 O ATOM 1662 CB ASP A 102 12.616 -4.706 6.888 1.00 0.00 C ATOM 1663 CG ASP A 102 12.720 -3.200 6.746 1.00 0.00 C ATOM 1664 OD1 ASP A 102 13.857 -2.685 6.703 1.00 0.00 O ATOM 1665 OD2 ASP A 102 11.664 -2.537 6.677 1.00 0.00 O ATOM 0 H ASP A 102 10.874 -5.315 5.153 1.00 0.00 H new ATOM 0 HA ASP A 102 13.767 -4.952 5.092 1.00 0.00 H new ATOM 0 HB2 ASP A 102 11.612 -4.968 7.221 1.00 0.00 H new ATOM 0 HB3 ASP A 102 13.306 -5.044 7.661 1.00 0.00 H new ATOM 1670 N THR A 103 12.292 -7.740 6.015 1.00 0.00 N ATOM 1671 CA THR A 103 12.518 -9.152 6.298 1.00 0.00 C ATOM 1672 C THR A 103 11.555 -10.032 5.510 1.00 0.00 C ATOM 1673 O THR A 103 10.706 -9.534 4.772 1.00 0.00 O ATOM 1674 CB THR A 103 12.361 -9.456 7.800 1.00 0.00 C ATOM 1675 OG1 THR A 103 11.016 -9.194 8.215 1.00 0.00 O ATOM 1676 CG2 THR A 103 13.325 -8.616 8.625 1.00 0.00 C ATOM 0 H THR A 103 11.309 -7.477 5.939 1.00 0.00 H new ATOM 0 HA THR A 103 13.541 -9.375 5.994 1.00 0.00 H new ATOM 0 HB THR A 103 12.591 -10.509 7.962 1.00 0.00 H new ATOM 0 HG1 THR A 103 10.924 -9.391 9.171 1.00 0.00 H new ATOM 0 HG21 THR A 103 13.196 -8.847 9.682 1.00 0.00 H new ATOM 0 HG22 THR A 103 14.349 -8.839 8.327 1.00 0.00 H new ATOM 0 HG23 THR A 103 13.121 -7.558 8.458 1.00 0.00 H new ATOM 1684 N GLY A 104 11.692 -11.345 5.671 1.00 0.00 N ATOM 1685 CA GLY A 104 10.827 -12.273 4.968 1.00 0.00 C ATOM 1686 C GLY A 104 9.372 -12.124 5.366 1.00 0.00 C ATOM 1687 O GLY A 104 8.473 -12.330 4.551 1.00 0.00 O ATOM 0 H GLY A 104 12.387 -11.782 6.276 1.00 0.00 H new ATOM 0 HA2 GLY A 104 10.925 -12.114 3.894 1.00 0.00 H new ATOM 0 HA3 GLY A 104 11.153 -13.293 5.170 1.00 0.00 H new ATOM 1691 N LYS A 105 9.138 -11.766 6.624 1.00 0.00 N ATOM 1692 CA LYS A 105 7.782 -11.590 7.131 1.00 0.00 C ATOM 1693 C LYS A 105 7.094 -10.413 6.445 1.00 0.00 C ATOM 1694 O LYS A 105 6.082 -10.585 5.767 1.00 0.00 O ATOM 1695 CB LYS A 105 7.805 -11.369 8.645 1.00 0.00 C ATOM 1696 CG LYS A 105 6.431 -11.128 9.246 1.00 0.00 C ATOM 1697 CD LYS A 105 5.538 -12.349 9.101 1.00 0.00 C ATOM 1698 CE LYS A 105 4.531 -12.440 10.237 1.00 0.00 C ATOM 1699 NZ LYS A 105 4.136 -11.094 10.738 1.00 0.00 N ATOM 0 H LYS A 105 9.871 -11.592 7.312 1.00 0.00 H new ATOM 0 HA LYS A 105 7.218 -12.497 6.912 1.00 0.00 H new ATOM 0 HB2 LYS A 105 8.254 -12.239 9.124 1.00 0.00 H new ATOM 0 HB3 LYS A 105 8.445 -10.516 8.869 1.00 0.00 H new ATOM 0 HG2 LYS A 105 6.534 -10.874 10.301 1.00 0.00 H new ATOM 0 HG3 LYS A 105 5.963 -10.274 8.757 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.010 -12.304 8.148 1.00 0.00 H new ATOM 0 HD3 LYS A 105 6.151 -13.250 9.084 1.00 0.00 H new ATOM 0 HE2 LYS A 105 3.645 -12.974 9.895 1.00 0.00 H new ATOM 0 HE3 LYS A 105 4.958 -13.021 11.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 4.367 -11.018 11.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 4.652 -10.362 10.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 3.113 -10.961 10.606 1.00 0.00 H new ATOM 1713 N GLU A 106 7.651 -9.220 6.627 1.00 0.00 N ATOM 1714 CA GLU A 106 7.090 -8.016 6.024 1.00 0.00 C ATOM 1715 C GLU A 106 6.751 -8.251 4.555 1.00 0.00 C ATOM 1716 O GLU A 106 5.944 -7.528 3.971 1.00 0.00 O ATOM 1717 CB GLU A 106 8.072 -6.850 6.153 1.00 0.00 C ATOM 1718 CG GLU A 106 8.125 -6.250 7.547 1.00 0.00 C ATOM 1719 CD GLU A 106 7.049 -5.205 7.774 1.00 0.00 C ATOM 1720 OE1 GLU A 106 5.855 -5.569 7.743 1.00 0.00 O ATOM 1721 OE2 GLU A 106 7.401 -4.026 7.983 1.00 0.00 O ATOM 0 H GLU A 106 8.489 -9.061 7.186 1.00 0.00 H new ATOM 0 HA GLU A 106 6.171 -7.768 6.555 1.00 0.00 H new ATOM 0 HB2 GLU A 106 9.069 -7.193 5.876 1.00 0.00 H new ATOM 0 HB3 GLU A 106 7.794 -6.072 5.442 1.00 0.00 H new ATOM 0 HG2 GLU A 106 8.016 -7.045 8.285 1.00 0.00 H new ATOM 0 HG3 GLU A 106 9.104 -5.799 7.707 1.00 0.00 H new ATOM 1728 N MET A 107 7.374 -9.265 3.964 1.00 0.00 N ATOM 1729 CA MET A 107 7.138 -9.596 2.564 1.00 0.00 C ATOM 1730 C MET A 107 5.961 -10.556 2.423 1.00 0.00 C ATOM 1731 O MET A 107 5.134 -10.410 1.523 1.00 0.00 O ATOM 1732 CB MET A 107 8.393 -10.213 1.945 1.00 0.00 C ATOM 1733 CG MET A 107 8.110 -11.061 0.715 1.00 0.00 C ATOM 1734 SD MET A 107 9.533 -11.188 -0.384 1.00 0.00 S ATOM 1735 CE MET A 107 9.381 -12.883 -0.941 1.00 0.00 C ATOM 0 H MET A 107 8.046 -9.872 4.433 1.00 0.00 H new ATOM 0 HA MET A 107 6.897 -8.674 2.034 1.00 0.00 H new ATOM 0 HB2 MET A 107 9.085 -9.415 1.675 1.00 0.00 H new ATOM 0 HB3 MET A 107 8.892 -10.828 2.693 1.00 0.00 H new ATOM 0 HG2 MET A 107 7.808 -12.060 1.029 1.00 0.00 H new ATOM 0 HG3 MET A 107 7.271 -10.632 0.168 1.00 0.00 H new ATOM 0 HE1 MET A 107 10.372 -13.290 -1.142 1.00 0.00 H new ATOM 0 HE2 MET A 107 8.894 -13.478 -0.168 1.00 0.00 H new ATOM 0 HE3 MET A 107 8.784 -12.914 -1.852 1.00 0.00 H new ATOM 1745 N GLU A 108 5.894 -11.538 3.317 1.00 0.00 N ATOM 1746 CA GLU A 108 4.819 -12.523 3.289 1.00 0.00 C ATOM 1747 C GLU A 108 3.469 -11.862 3.555 1.00 0.00 C ATOM 1748 O GLU A 108 2.467 -12.193 2.919 1.00 0.00 O ATOM 1749 CB GLU A 108 5.074 -13.619 4.325 1.00 0.00 C ATOM 1750 CG GLU A 108 4.464 -13.326 5.685 1.00 0.00 C ATOM 1751 CD GLU A 108 4.828 -14.368 6.725 1.00 0.00 C ATOM 1752 OE1 GLU A 108 5.754 -15.165 6.467 1.00 0.00 O ATOM 1753 OE2 GLU A 108 4.187 -14.386 7.797 1.00 0.00 O ATOM 0 H GLU A 108 6.570 -11.672 4.068 1.00 0.00 H new ATOM 0 HA GLU A 108 4.797 -12.970 2.295 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.672 -14.561 3.951 1.00 0.00 H new ATOM 0 HB3 GLU A 108 6.149 -13.755 4.440 1.00 0.00 H new ATOM 0 HG2 GLU A 108 4.799 -12.346 6.025 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.379 -13.277 5.589 1.00 0.00 H new ATOM 1760 N LEU A 109 3.450 -10.926 4.498 1.00 0.00 N ATOM 1761 CA LEU A 109 2.224 -10.218 4.849 1.00 0.00 C ATOM 1762 C LEU A 109 1.697 -9.420 3.661 1.00 0.00 C ATOM 1763 O LEU A 109 0.487 -9.291 3.475 1.00 0.00 O ATOM 1764 CB LEU A 109 2.473 -9.285 6.035 1.00 0.00 C ATOM 1765 CG LEU A 109 3.153 -9.912 7.252 1.00 0.00 C ATOM 1766 CD1 LEU A 109 3.541 -8.840 8.258 1.00 0.00 C ATOM 1767 CD2 LEU A 109 2.244 -10.948 7.897 1.00 0.00 C ATOM 0 H LEU A 109 4.270 -10.640 5.033 1.00 0.00 H new ATOM 0 HA LEU A 109 1.473 -10.957 5.128 1.00 0.00 H new ATOM 0 HB2 LEU A 109 3.084 -8.450 5.692 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.516 -8.870 6.352 1.00 0.00 H new ATOM 0 HG LEU A 109 4.061 -10.413 6.918 1.00 0.00 H new ATOM 0 HD11 LEU A 109 4.024 -9.305 9.117 1.00 0.00 H new ATOM 0 HD12 LEU A 109 4.230 -8.136 7.792 1.00 0.00 H new ATOM 0 HD13 LEU A 109 2.648 -8.309 8.587 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.745 -11.384 8.762 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.318 -10.471 8.217 1.00 0.00 H new ATOM 0 HD23 LEU A 109 2.017 -11.733 7.175 1.00 0.00 H new ATOM 1779 N TRP A 110 2.612 -8.889 2.859 1.00 0.00 N ATOM 1780 CA TRP A 110 2.239 -8.106 1.687 1.00 0.00 C ATOM 1781 C TRP A 110 1.848 -9.014 0.526 1.00 0.00 C ATOM 1782 O TRP A 110 0.847 -8.776 -0.149 1.00 0.00 O ATOM 1783 CB TRP A 110 3.394 -7.193 1.269 1.00 0.00 C ATOM 1784 CG TRP A 110 3.353 -5.846 1.925 1.00 0.00 C ATOM 1785 CD1 TRP A 110 4.351 -5.256 2.646 1.00 0.00 C ATOM 1786 CD2 TRP A 110 2.258 -4.924 1.921 1.00 0.00 C ATOM 1787 NE1 TRP A 110 3.943 -4.021 3.091 1.00 0.00 N ATOM 1788 CE2 TRP A 110 2.663 -3.794 2.659 1.00 0.00 C ATOM 1789 CE3 TRP A 110 0.977 -4.941 1.365 1.00 0.00 C ATOM 1790 CZ2 TRP A 110 1.830 -2.695 2.854 1.00 0.00 C ATOM 1791 CZ3 TRP A 110 0.151 -3.850 1.559 1.00 0.00 C ATOM 1792 CH2 TRP A 110 0.581 -2.739 2.298 1.00 0.00 C ATOM 0 H TRP A 110 3.618 -8.986 2.999 1.00 0.00 H new ATOM 0 HA TRP A 110 1.377 -7.493 1.951 1.00 0.00 H new ATOM 0 HB2 TRP A 110 4.339 -7.679 1.513 1.00 0.00 H new ATOM 0 HB3 TRP A 110 3.372 -7.063 0.187 1.00 0.00 H new ATOM 0 HD1 TRP A 110 5.319 -5.695 2.838 1.00 0.00 H new ATOM 0 HE1 TRP A 110 4.502 -3.378 3.652 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.638 -5.792 0.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 2.159 -1.838 3.424 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -0.842 -3.853 1.134 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -0.087 -1.901 2.431 1.00 0.00 H new ATOM 1803 N MET A 111 2.643 -10.055 0.301 1.00 0.00 N ATOM 1804 CA MET A 111 2.377 -11.000 -0.778 1.00 0.00 C ATOM 1805 C MET A 111 1.044 -11.710 -0.562 1.00 0.00 C ATOM 1806 O MET A 111 0.120 -11.574 -1.364 1.00 0.00 O ATOM 1807 CB MET A 111 3.506 -12.028 -0.874 1.00 0.00 C ATOM 1808 CG MET A 111 4.773 -11.480 -1.510 1.00 0.00 C ATOM 1809 SD MET A 111 5.863 -12.782 -2.119 1.00 0.00 S ATOM 1810 CE MET A 111 5.845 -12.442 -3.878 1.00 0.00 C ATOM 0 H MET A 111 3.476 -10.266 0.851 1.00 0.00 H new ATOM 0 HA MET A 111 2.324 -10.441 -1.712 1.00 0.00 H new ATOM 0 HB2 MET A 111 3.740 -12.393 0.126 1.00 0.00 H new ATOM 0 HB3 MET A 111 3.159 -12.884 -1.453 1.00 0.00 H new ATOM 0 HG2 MET A 111 4.505 -10.820 -2.335 1.00 0.00 H new ATOM 0 HG3 MET A 111 5.309 -10.875 -0.779 1.00 0.00 H new ATOM 0 HE1 MET A 111 6.856 -12.527 -4.275 1.00 0.00 H new ATOM 0 HE2 MET A 111 5.196 -13.159 -4.381 1.00 0.00 H new ATOM 0 HE3 MET A 111 5.471 -11.433 -4.050 1.00 0.00 H new ATOM 1820 N LYS A 112 0.952 -12.468 0.525 1.00 0.00 N ATOM 1821 CA LYS A 112 -0.268 -13.199 0.847 1.00 0.00 C ATOM 1822 C LYS A 112 -1.504 -12.390 0.466 1.00 0.00 C ATOM 1823 O LYS A 112 -2.462 -12.928 -0.088 1.00 0.00 O ATOM 1824 CB LYS A 112 -0.306 -13.536 2.340 1.00 0.00 C ATOM 1825 CG LYS A 112 0.688 -14.610 2.746 1.00 0.00 C ATOM 1826 CD LYS A 112 0.183 -15.999 2.395 1.00 0.00 C ATOM 1827 CE LYS A 112 0.792 -17.059 3.300 1.00 0.00 C ATOM 1828 NZ LYS A 112 -0.019 -17.268 4.532 1.00 0.00 N ATOM 0 H LYS A 112 1.708 -12.592 1.198 1.00 0.00 H new ATOM 0 HA LYS A 112 -0.270 -14.125 0.271 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -0.105 -12.631 2.913 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -1.311 -13.864 2.604 1.00 0.00 H new ATOM 0 HG2 LYS A 112 1.641 -14.432 2.248 1.00 0.00 H new ATOM 0 HG3 LYS A 112 0.873 -14.549 3.819 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -0.903 -16.025 2.482 1.00 0.00 H new ATOM 0 HD3 LYS A 112 0.425 -16.223 1.356 1.00 0.00 H new ATOM 0 HE2 LYS A 112 0.873 -17.999 2.755 1.00 0.00 H new ATOM 0 HE3 LYS A 112 1.804 -16.763 3.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 0.429 -17.998 5.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -0.076 -16.377 5.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -0.977 -17.575 4.269 1.00 0.00 H new ATOM 1842 N ALA A 113 -1.474 -11.096 0.765 1.00 0.00 N ATOM 1843 CA ALA A 113 -2.590 -10.213 0.450 1.00 0.00 C ATOM 1844 C ALA A 113 -2.587 -9.828 -1.025 1.00 0.00 C ATOM 1845 O ALA A 113 -3.520 -10.148 -1.761 1.00 0.00 O ATOM 1846 CB ALA A 113 -2.540 -8.967 1.322 1.00 0.00 C ATOM 0 H ALA A 113 -0.689 -10.636 1.225 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.515 -10.751 0.656 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -3.379 -8.317 1.076 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.600 -9.255 2.372 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -1.605 -8.436 1.144 1.00 0.00 H new ATOM 1852 N MET A 114 -1.532 -9.140 -1.450 1.00 0.00 N ATOM 1853 CA MET A 114 -1.409 -8.713 -2.839 1.00 0.00 C ATOM 1854 C MET A 114 -1.899 -9.802 -3.789 1.00 0.00 C ATOM 1855 O MET A 114 -2.790 -9.570 -4.608 1.00 0.00 O ATOM 1856 CB MET A 114 0.045 -8.359 -3.159 1.00 0.00 C ATOM 1857 CG MET A 114 0.479 -7.013 -2.601 1.00 0.00 C ATOM 1858 SD MET A 114 2.100 -6.502 -3.203 1.00 0.00 S ATOM 1859 CE MET A 114 2.589 -5.349 -1.922 1.00 0.00 C ATOM 0 H MET A 114 -0.751 -8.867 -0.853 1.00 0.00 H new ATOM 0 HA MET A 114 -2.031 -7.828 -2.977 1.00 0.00 H new ATOM 0 HB2 MET A 114 0.696 -9.136 -2.759 1.00 0.00 H new ATOM 0 HB3 MET A 114 0.180 -8.356 -4.241 1.00 0.00 H new ATOM 0 HG2 MET A 114 -0.259 -6.257 -2.870 1.00 0.00 H new ATOM 0 HG3 MET A 114 0.500 -7.065 -1.512 1.00 0.00 H new ATOM 0 HE1 MET A 114 3.670 -5.391 -1.788 1.00 0.00 H new ATOM 0 HE2 MET A 114 2.298 -4.339 -2.211 1.00 0.00 H new ATOM 0 HE3 MET A 114 2.097 -5.614 -0.986 1.00 0.00 H new ATOM 1869 N LEU A 115 -1.313 -10.988 -3.674 1.00 0.00 N ATOM 1870 CA LEU A 115 -1.691 -12.113 -4.523 1.00 0.00 C ATOM 1871 C LEU A 115 -3.200 -12.333 -4.497 1.00 0.00 C ATOM 1872 O LEU A 115 -3.803 -12.690 -5.508 1.00 0.00 O ATOM 1873 CB LEU A 115 -0.971 -13.384 -4.069 1.00 0.00 C ATOM 1874 CG LEU A 115 0.388 -13.653 -4.716 1.00 0.00 C ATOM 1875 CD1 LEU A 115 0.253 -13.735 -6.228 1.00 0.00 C ATOM 1876 CD2 LEU A 115 1.387 -12.574 -4.325 1.00 0.00 C ATOM 0 H LEU A 115 -0.575 -11.196 -3.002 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.395 -11.880 -5.546 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.833 -13.333 -2.989 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -1.621 -14.236 -4.268 1.00 0.00 H new ATOM 0 HG LEU A 115 0.758 -14.612 -4.353 1.00 0.00 H new ATOM 0 HD11 LEU A 115 1.230 -13.927 -6.671 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -0.429 -14.544 -6.489 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -0.140 -12.793 -6.610 1.00 0.00 H new ATOM 0 HD21 LEU A 115 2.349 -12.781 -4.794 1.00 0.00 H new ATOM 0 HD22 LEU A 115 1.022 -11.602 -4.659 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.507 -12.564 -3.242 1.00 0.00 H new ATOM 1888 N ASP A 116 -3.804 -12.114 -3.334 1.00 0.00 N ATOM 1889 CA ASP A 116 -5.244 -12.284 -3.176 1.00 0.00 C ATOM 1890 C ASP A 116 -6.006 -11.417 -4.173 1.00 0.00 C ATOM 1891 O ASP A 116 -7.075 -11.797 -4.650 1.00 0.00 O ATOM 1892 CB ASP A 116 -5.667 -11.934 -1.749 1.00 0.00 C ATOM 1893 CG ASP A 116 -6.902 -12.695 -1.308 1.00 0.00 C ATOM 1894 OD1 ASP A 116 -7.986 -12.447 -1.877 1.00 0.00 O ATOM 1895 OD2 ASP A 116 -6.785 -13.537 -0.394 1.00 0.00 O ATOM 0 H ASP A 116 -3.319 -11.818 -2.487 1.00 0.00 H new ATOM 0 HA ASP A 116 -5.485 -13.329 -3.372 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -4.846 -12.152 -1.066 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -5.861 -10.863 -1.683 1.00 0.00 H new ATOM 1900 N ALA A 117 -5.450 -10.251 -4.482 1.00 0.00 N ATOM 1901 CA ALA A 117 -6.076 -9.331 -5.423 1.00 0.00 C ATOM 1902 C ALA A 117 -5.662 -9.644 -6.856 1.00 0.00 C ATOM 1903 O ALA A 117 -6.503 -9.731 -7.751 1.00 0.00 O ATOM 1904 CB ALA A 117 -5.722 -7.893 -5.071 1.00 0.00 C ATOM 0 H ALA A 117 -4.566 -9.921 -4.094 1.00 0.00 H new ATOM 0 HA ALA A 117 -7.156 -9.456 -5.350 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -6.196 -7.217 -5.782 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -6.075 -7.667 -4.065 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -4.641 -7.764 -5.114 1.00 0.00 H new ATOM 1910 N ALA A 118 -4.361 -9.812 -7.068 1.00 0.00 N ATOM 1911 CA ALA A 118 -3.835 -10.117 -8.393 1.00 0.00 C ATOM 1912 C ALA A 118 -4.479 -11.377 -8.962 1.00 0.00 C ATOM 1913 O ALA A 118 -4.920 -11.395 -10.112 1.00 0.00 O ATOM 1914 CB ALA A 118 -2.323 -10.274 -8.337 1.00 0.00 C ATOM 0 H ALA A 118 -3.651 -9.742 -6.339 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.079 -9.285 -9.054 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -1.944 -10.502 -9.333 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -1.874 -9.347 -7.981 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -2.066 -11.086 -7.657 1.00 0.00 H new ATOM 1920 N LEU A 119 -4.529 -12.428 -8.152 1.00 0.00 N ATOM 1921 CA LEU A 119 -5.119 -13.693 -8.575 1.00 0.00 C ATOM 1922 C LEU A 119 -6.461 -13.465 -9.263 1.00 0.00 C ATOM 1923 O LEU A 119 -6.850 -14.219 -10.155 1.00 0.00 O ATOM 1924 CB LEU A 119 -5.300 -14.622 -7.373 1.00 0.00 C ATOM 1925 CG LEU A 119 -6.600 -14.454 -6.585 1.00 0.00 C ATOM 1926 CD1 LEU A 119 -7.693 -15.340 -7.163 1.00 0.00 C ATOM 1927 CD2 LEU A 119 -6.376 -14.771 -5.114 1.00 0.00 C ATOM 0 H LEU A 119 -4.168 -12.429 -7.198 1.00 0.00 H new ATOM 0 HA LEU A 119 -4.441 -14.161 -9.289 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -5.242 -15.652 -7.723 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -4.463 -14.469 -6.692 1.00 0.00 H new ATOM 0 HG LEU A 119 -6.921 -13.416 -6.668 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -8.610 -15.207 -6.590 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -7.872 -15.066 -8.203 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -7.381 -16.383 -7.112 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -7.311 -14.646 -4.568 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -6.031 -15.800 -5.012 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -5.625 -14.094 -4.706 1.00 0.00 H new