USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 669 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 128 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 150 HIS : no HE2:sc= -2.05 K(o=-1,f=-3.6) USER MOD Set 2.2: A 153 LYS NZ :NH3+ -106:sc= 0.373 (180deg=0) USER MOD Set 2.3: A 154 TYR OH : rot 127:sc= 0.639 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -0.823 K(o=-0.82,f=-1.4) USER MOD Single : A 103 TYR OH : rot 30:sc= -0.981 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -6.83! C(o=-6.8!,f=-4.8!) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 TYR OH : rot 180:sc= 0.355 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 THR OG1 : rot 52:sc= 0.393 USER MOD Single : A 134 SER OG : rot 3:sc= 1.01 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 LYS NZ :NH3+ 179:sc= -0.0669 (180deg=-0.0745) USER MOD Single : A 140 HIS : no HD1:sc= -0.212 X(o=-0.21,f=-0.62) USER MOD Single : A 142 THR OG1 : rot -134:sc= 0.196 USER MOD Single : A 147 THR OG1 : rot 160:sc= -0.901 USER MOD Single : A 148 THR OG1 : rot 74:sc= -0.862 USER MOD Single : A 155 SER OG : rot -170:sc= -4.34! USER MOD Single : A 161 ASN : amide:sc= -3.56 K(o=-3.6,f=-9.8!) USER MOD Single : A 164 HIS : no HD1:sc= -1.21 K(o=-1.2,f=-4.2!) USER MOD Single : A 170 THR OG1 : rot 180:sc= 0 USER MOD Single : A 171 THR OG1 : rot -64:sc= 0.547 USER MOD ----------------------------------------------------------------- ATOM 257 N PRO A 87 -6.161 3.675 -16.323 1.00 0.00 N ATOM 258 CA PRO A 87 -5.103 2.813 -15.784 1.00 0.00 C ATOM 259 C PRO A 87 -3.712 3.227 -16.263 1.00 0.00 C ATOM 260 O PRO A 87 -3.539 3.640 -17.411 1.00 0.00 O ATOM 261 CB PRO A 87 -5.462 1.425 -16.322 1.00 0.00 C ATOM 262 CG PRO A 87 -6.261 1.690 -17.550 1.00 0.00 C ATOM 263 CD PRO A 87 -7.022 2.958 -17.283 1.00 0.00 C ATOM 0 HA PRO A 87 -5.055 2.864 -14.696 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -4.568 0.845 -16.549 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -6.036 0.854 -15.592 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -5.614 1.799 -18.420 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.940 0.864 -17.759 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -7.175 3.535 -18.195 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -8.008 2.755 -16.865 1.00 0.00 H new ATOM 271 N PRO A 88 -2.696 3.120 -15.387 1.00 0.00 N ATOM 272 CA PRO A 88 -1.320 3.483 -15.719 1.00 0.00 C ATOM 273 C PRO A 88 -0.563 2.335 -16.381 1.00 0.00 C ATOM 274 O PRO A 88 -1.169 1.381 -16.870 1.00 0.00 O ATOM 275 CB PRO A 88 -0.728 3.802 -14.349 1.00 0.00 C ATOM 276 CG PRO A 88 -1.440 2.886 -13.411 1.00 0.00 C ATOM 277 CD PRO A 88 -2.810 2.639 -13.996 1.00 0.00 C ATOM 0 HA PRO A 88 -1.260 4.303 -16.435 1.00 0.00 H new ATOM 0 HB2 PRO A 88 0.348 3.629 -14.332 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -0.888 4.846 -14.081 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -0.894 1.949 -13.297 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -1.518 3.332 -12.420 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -3.075 1.582 -13.959 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -3.581 3.180 -13.448 1.00 0.00 H new ATOM 285 N ASP A 89 0.765 2.427 -16.389 1.00 0.00 N ATOM 286 CA ASP A 89 1.597 1.404 -16.979 1.00 0.00 C ATOM 287 C ASP A 89 2.363 0.661 -15.897 1.00 0.00 C ATOM 288 O ASP A 89 2.724 1.234 -14.870 1.00 0.00 O ATOM 289 CB ASP A 89 2.571 2.019 -17.985 1.00 0.00 C ATOM 290 CG ASP A 89 1.878 2.935 -18.974 1.00 0.00 C ATOM 291 OD1 ASP A 89 0.733 2.628 -19.367 1.00 0.00 O ATOM 292 OD2 ASP A 89 2.480 3.961 -19.356 1.00 0.00 O1- ATOM 0 H ASP A 89 1.282 3.209 -15.988 1.00 0.00 H new ATOM 0 HA ASP A 89 0.955 0.698 -17.505 1.00 0.00 H new ATOM 0 HB2 ASP A 89 3.337 2.580 -17.449 1.00 0.00 H new ATOM 0 HB3 ASP A 89 3.080 1.222 -18.527 1.00 0.00 H new ATOM 297 N GLU A 90 2.609 -0.617 -16.138 1.00 0.00 N ATOM 298 CA GLU A 90 3.333 -1.449 -15.194 1.00 0.00 C ATOM 299 C GLU A 90 4.661 -0.811 -14.803 1.00 0.00 C ATOM 300 O GLU A 90 5.226 -1.127 -13.756 1.00 0.00 O ATOM 301 CB GLU A 90 3.576 -2.828 -15.796 1.00 0.00 C ATOM 302 CG GLU A 90 3.964 -2.800 -17.266 1.00 0.00 C ATOM 303 CD GLU A 90 4.603 -4.097 -17.725 1.00 0.00 C ATOM 304 OE1 GLU A 90 5.818 -4.274 -17.495 1.00 0.00 O ATOM 305 OE2 GLU A 90 3.889 -4.934 -18.315 1.00 0.00 O1- ATOM 0 H GLU A 90 2.315 -1.102 -16.986 1.00 0.00 H new ATOM 0 HA GLU A 90 2.726 -1.548 -14.294 1.00 0.00 H new ATOM 0 HB2 GLU A 90 4.365 -3.326 -15.232 1.00 0.00 H new ATOM 0 HB3 GLU A 90 2.674 -3.428 -15.680 1.00 0.00 H new ATOM 0 HG2 GLU A 90 3.077 -2.603 -17.868 1.00 0.00 H new ATOM 0 HG3 GLU A 90 4.657 -1.977 -17.440 1.00 0.00 H new ATOM 312 N GLU A 91 5.153 0.097 -15.643 1.00 0.00 N ATOM 313 CA GLU A 91 6.409 0.783 -15.371 1.00 0.00 C ATOM 314 C GLU A 91 6.358 1.449 -14.005 1.00 0.00 C ATOM 315 O GLU A 91 7.221 1.229 -13.153 1.00 0.00 O ATOM 316 CB GLU A 91 6.680 1.835 -16.446 1.00 0.00 C ATOM 317 CG GLU A 91 6.599 1.294 -17.864 1.00 0.00 C ATOM 318 CD GLU A 91 7.555 1.994 -18.811 1.00 0.00 C ATOM 319 OE1 GLU A 91 7.690 3.231 -18.710 1.00 0.00 O1- ATOM 320 OE2 GLU A 91 8.167 1.304 -19.652 1.00 0.00 O ATOM 0 H GLU A 91 4.701 0.373 -16.515 1.00 0.00 H new ATOM 0 HA GLU A 91 7.214 0.048 -15.380 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.963 2.648 -16.335 1.00 0.00 H new ATOM 0 HB3 GLU A 91 7.671 2.260 -16.285 1.00 0.00 H new ATOM 0 HG2 GLU A 91 6.819 0.227 -17.855 1.00 0.00 H new ATOM 0 HG3 GLU A 91 5.580 1.406 -18.234 1.00 0.00 H new ATOM 327 N LEU A 92 5.328 2.258 -13.805 1.00 0.00 N ATOM 328 CA LEU A 92 5.142 2.958 -12.547 1.00 0.00 C ATOM 329 C LEU A 92 4.648 2.002 -11.465 1.00 0.00 C ATOM 330 O LEU A 92 4.834 2.251 -10.274 1.00 0.00 O ATOM 331 CB LEU A 92 4.155 4.111 -12.728 1.00 0.00 C ATOM 332 CG LEU A 92 4.159 5.161 -11.612 1.00 0.00 C ATOM 333 CD1 LEU A 92 3.482 4.621 -10.360 1.00 0.00 C ATOM 334 CD2 LEU A 92 5.580 5.610 -11.304 1.00 0.00 C ATOM 0 H LEU A 92 4.607 2.445 -14.502 1.00 0.00 H new ATOM 0 HA LEU A 92 6.104 3.363 -12.232 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.373 4.609 -13.673 1.00 0.00 H new ATOM 0 HB3 LEU A 92 3.150 3.697 -12.811 1.00 0.00 H new ATOM 0 HG LEU A 92 3.594 6.027 -11.957 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.496 5.383 -9.581 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.450 4.357 -10.590 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.014 3.736 -10.011 1.00 0.00 H new ATOM 0 HD21 LEU A 92 5.562 6.356 -10.509 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.171 4.752 -10.983 1.00 0.00 H new ATOM 0 HD23 LEU A 92 6.026 6.044 -12.199 1.00 0.00 H new ATOM 346 N ILE A 93 4.021 0.903 -11.883 1.00 0.00 N ATOM 347 CA ILE A 93 3.511 -0.083 -10.943 1.00 0.00 C ATOM 348 C ILE A 93 4.651 -0.828 -10.260 1.00 0.00 C ATOM 349 O ILE A 93 4.627 -1.046 -9.049 1.00 0.00 O ATOM 350 CB ILE A 93 2.588 -1.094 -11.647 1.00 0.00 C ATOM 351 CG1 ILE A 93 1.439 -0.356 -12.337 1.00 0.00 C ATOM 352 CG2 ILE A 93 2.053 -2.118 -10.656 1.00 0.00 C ATOM 353 CD1 ILE A 93 0.542 -1.260 -13.150 1.00 0.00 C ATOM 0 H ILE A 93 3.856 0.677 -12.864 1.00 0.00 H new ATOM 0 HA ILE A 93 2.937 0.455 -10.189 1.00 0.00 H new ATOM 0 HB ILE A 93 3.165 -1.629 -12.401 1.00 0.00 H new ATOM 0 HG12 ILE A 93 0.840 0.153 -11.582 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.852 0.414 -12.989 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.403 -2.822 -11.176 1.00 0.00 H new ATOM 0 HG22 ILE A 93 2.886 -2.658 -10.205 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.486 -1.609 -9.877 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -0.250 -0.669 -13.610 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.128 -1.750 -13.928 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.100 -2.015 -12.499 1.00 0.00 H new ATOM 365 N LYS A 94 5.653 -1.213 -11.044 1.00 0.00 N ATOM 366 CA LYS A 94 6.802 -1.929 -10.508 1.00 0.00 C ATOM 367 C LYS A 94 7.568 -1.048 -9.526 1.00 0.00 C ATOM 368 O LYS A 94 8.112 -1.534 -8.535 1.00 0.00 O ATOM 369 CB LYS A 94 7.725 -2.383 -11.642 1.00 0.00 C ATOM 370 CG LYS A 94 7.573 -3.854 -11.996 1.00 0.00 C ATOM 371 CD LYS A 94 8.642 -4.704 -11.325 1.00 0.00 C ATOM 372 CE LYS A 94 9.481 -5.456 -12.346 1.00 0.00 C ATOM 373 NZ LYS A 94 9.980 -6.753 -11.809 1.00 0.00 N1+ ATOM 0 H LYS A 94 5.692 -1.041 -12.049 1.00 0.00 H new ATOM 0 HA LYS A 94 6.442 -2.810 -9.977 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.522 -1.781 -12.528 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.759 -2.191 -11.357 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.586 -4.202 -11.691 1.00 0.00 H new ATOM 0 HG3 LYS A 94 7.635 -3.977 -13.077 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.288 -4.067 -10.721 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.170 -5.415 -10.647 1.00 0.00 H new ATOM 0 HE2 LYS A 94 8.886 -5.639 -13.241 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.327 -4.838 -12.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 10.547 -7.234 -12.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 10.569 -6.578 -10.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.173 -7.354 -11.546 1.00 0.00 H new ATOM 387 N LYS A 95 7.602 0.251 -9.806 1.00 0.00 N ATOM 388 CA LYS A 95 8.296 1.198 -8.940 1.00 0.00 C ATOM 389 C LYS A 95 7.678 1.197 -7.544 1.00 0.00 C ATOM 390 O LYS A 95 8.386 1.114 -6.539 1.00 0.00 O ATOM 391 CB LYS A 95 8.240 2.606 -9.536 1.00 0.00 C ATOM 392 CG LYS A 95 9.232 2.826 -10.667 1.00 0.00 C ATOM 393 CD LYS A 95 10.667 2.765 -10.168 1.00 0.00 C ATOM 394 CE LYS A 95 11.561 3.733 -10.926 1.00 0.00 C ATOM 395 NZ LYS A 95 12.761 4.117 -10.134 1.00 0.00 N1+ ATOM 0 H LYS A 95 7.159 0.671 -10.623 1.00 0.00 H new ATOM 0 HA LYS A 95 9.339 0.890 -8.862 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.232 2.796 -9.905 1.00 0.00 H new ATOM 0 HB3 LYS A 95 8.433 3.334 -8.748 1.00 0.00 H new ATOM 0 HG2 LYS A 95 9.081 2.070 -11.437 1.00 0.00 H new ATOM 0 HG3 LYS A 95 9.048 3.795 -11.131 1.00 0.00 H new ATOM 0 HD2 LYS A 95 10.694 3.000 -9.104 1.00 0.00 H new ATOM 0 HD3 LYS A 95 11.050 1.751 -10.280 1.00 0.00 H new ATOM 0 HE2 LYS A 95 11.876 3.277 -11.864 1.00 0.00 H new ATOM 0 HE3 LYS A 95 10.993 4.628 -11.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 13.344 4.778 -10.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 12.461 4.575 -9.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 13.317 3.267 -9.912 1.00 0.00 H new ATOM 409 N LEU A 96 6.353 1.284 -7.492 1.00 0.00 N ATOM 410 CA LEU A 96 5.632 1.289 -6.224 1.00 0.00 C ATOM 411 C LEU A 96 5.834 -0.026 -5.481 1.00 0.00 C ATOM 412 O LEU A 96 6.377 -0.057 -4.376 1.00 0.00 O ATOM 413 CB LEU A 96 4.137 1.503 -6.467 1.00 0.00 C ATOM 414 CG LEU A 96 3.677 2.958 -6.475 1.00 0.00 C ATOM 415 CD1 LEU A 96 2.977 3.287 -7.783 1.00 0.00 C ATOM 416 CD2 LEU A 96 2.756 3.229 -5.298 1.00 0.00 C ATOM 0 H LEU A 96 5.755 1.352 -8.316 1.00 0.00 H new ATOM 0 HA LEU A 96 6.025 2.105 -5.617 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.873 1.051 -7.423 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.581 0.968 -5.697 1.00 0.00 H new ATOM 0 HG LEU A 96 4.554 3.598 -6.383 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.655 4.328 -7.772 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.665 3.129 -8.614 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.108 2.640 -7.903 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.437 4.271 -5.318 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.882 2.581 -5.363 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.287 3.030 -4.367 1.00 0.00 H new ATOM 428 N VAL A 97 5.383 -1.111 -6.100 1.00 0.00 N ATOM 429 CA VAL A 97 5.498 -2.438 -5.512 1.00 0.00 C ATOM 430 C VAL A 97 6.912 -2.704 -5.001 1.00 0.00 C ATOM 431 O VAL A 97 7.097 -3.328 -3.957 1.00 0.00 O ATOM 432 CB VAL A 97 5.107 -3.527 -6.528 1.00 0.00 C ATOM 433 CG1 VAL A 97 6.108 -3.583 -7.670 1.00 0.00 C ATOM 434 CG2 VAL A 97 4.992 -4.877 -5.841 1.00 0.00 C ATOM 0 H VAL A 97 4.932 -1.096 -7.015 1.00 0.00 H new ATOM 0 HA VAL A 97 4.810 -2.473 -4.667 1.00 0.00 H new ATOM 0 HB VAL A 97 4.133 -3.273 -6.947 1.00 0.00 H new ATOM 0 HG11 VAL A 97 5.812 -4.359 -8.376 1.00 0.00 H new ATOM 0 HG12 VAL A 97 6.133 -2.620 -8.180 1.00 0.00 H new ATOM 0 HG13 VAL A 97 7.098 -3.810 -7.275 1.00 0.00 H new ATOM 0 HG21 VAL A 97 4.715 -5.635 -6.573 1.00 0.00 H new ATOM 0 HG22 VAL A 97 5.950 -5.139 -5.391 1.00 0.00 H new ATOM 0 HG23 VAL A 97 4.229 -4.826 -5.065 1.00 0.00 H new ATOM 444 N ASP A 98 7.904 -2.224 -5.743 1.00 0.00 N ATOM 445 CA ASP A 98 9.298 -2.408 -5.361 1.00 0.00 C ATOM 446 C ASP A 98 9.580 -1.748 -4.015 1.00 0.00 C ATOM 447 O ASP A 98 10.424 -2.213 -3.249 1.00 0.00 O ATOM 448 CB ASP A 98 10.224 -1.827 -6.431 1.00 0.00 C ATOM 449 CG ASP A 98 11.673 -2.223 -6.221 1.00 0.00 C ATOM 450 OD1 ASP A 98 12.009 -2.679 -5.108 1.00 0.00 O ATOM 451 OD2 ASP A 98 12.472 -2.077 -7.170 1.00 0.00 O1- ATOM 0 H ASP A 98 7.768 -1.706 -6.611 1.00 0.00 H new ATOM 0 HA ASP A 98 9.488 -3.478 -5.271 1.00 0.00 H new ATOM 0 HB2 ASP A 98 9.897 -2.166 -7.414 1.00 0.00 H new ATOM 0 HB3 ASP A 98 10.143 -0.740 -6.426 1.00 0.00 H new ATOM 456 N GLN A 99 8.866 -0.663 -3.734 1.00 0.00 N ATOM 457 CA GLN A 99 9.039 0.060 -2.480 1.00 0.00 C ATOM 458 C GLN A 99 8.582 -0.788 -1.296 1.00 0.00 C ATOM 459 O GLN A 99 9.168 -0.725 -0.215 1.00 0.00 O ATOM 460 CB GLN A 99 8.266 1.382 -2.514 1.00 0.00 C ATOM 461 CG GLN A 99 9.160 2.610 -2.473 1.00 0.00 C ATOM 462 CD GLN A 99 10.100 2.607 -1.282 1.00 0.00 C ATOM 463 OE1 GLN A 99 9.705 2.272 -0.166 1.00 0.00 O ATOM 464 NE2 GLN A 99 11.351 2.983 -1.516 1.00 0.00 N ATOM 0 H GLN A 99 8.163 -0.266 -4.357 1.00 0.00 H new ATOM 0 HA GLN A 99 10.100 0.277 -2.357 1.00 0.00 H new ATOM 0 HB2 GLN A 99 7.659 1.415 -3.418 1.00 0.00 H new ATOM 0 HB3 GLN A 99 7.580 1.414 -1.668 1.00 0.00 H new ATOM 0 HG2 GLN A 99 9.744 2.661 -3.392 1.00 0.00 H new ATOM 0 HG3 GLN A 99 8.540 3.506 -2.440 1.00 0.00 H new ATOM 0 HE21 GLN A 99 11.635 3.253 -2.458 1.00 0.00 H new ATOM 0 HE22 GLN A 99 12.029 3.002 -0.754 1.00 0.00 H new ATOM 473 N ILE A 100 7.533 -1.580 -1.504 1.00 0.00 N ATOM 474 CA ILE A 100 7.008 -2.436 -0.450 1.00 0.00 C ATOM 475 C ILE A 100 8.027 -3.481 -0.044 1.00 0.00 C ATOM 476 O ILE A 100 8.507 -3.495 1.089 1.00 0.00 O ATOM 477 CB ILE A 100 5.720 -3.160 -0.883 1.00 0.00 C ATOM 478 CG1 ILE A 100 4.855 -2.272 -1.778 1.00 0.00 C ATOM 479 CG2 ILE A 100 4.938 -3.592 0.342 1.00 0.00 C ATOM 480 CD1 ILE A 100 4.650 -0.882 -1.226 1.00 0.00 C ATOM 0 H ILE A 100 7.033 -1.645 -2.391 1.00 0.00 H new ATOM 0 HA ILE A 100 6.783 -1.782 0.393 1.00 0.00 H new ATOM 0 HB ILE A 100 6.001 -4.040 -1.462 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.319 -2.199 -2.762 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.884 -2.746 -1.918 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.027 -4.104 0.031 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.547 -4.268 0.943 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.677 -2.715 0.935 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.028 -0.307 -1.911 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.159 -0.945 -0.255 1.00 0.00 H new ATOM 0 HD13 ILE A 100 5.616 -0.389 -1.113 1.00 0.00 H new ATOM 492 N GLU A 101 8.370 -4.346 -0.988 1.00 0.00 N ATOM 493 CA GLU A 101 9.356 -5.392 -0.738 1.00 0.00 C ATOM 494 C GLU A 101 10.606 -4.793 -0.097 1.00 0.00 C ATOM 495 O GLU A 101 11.360 -5.480 0.591 1.00 0.00 O ATOM 496 CB GLU A 101 9.722 -6.107 -2.039 1.00 0.00 C ATOM 497 CG GLU A 101 10.423 -7.439 -1.825 1.00 0.00 C ATOM 498 CD GLU A 101 11.101 -7.950 -3.082 1.00 0.00 C ATOM 499 OE1 GLU A 101 11.727 -7.135 -3.791 1.00 0.00 O1- ATOM 500 OE2 GLU A 101 11.005 -9.165 -3.356 1.00 0.00 O ATOM 0 H GLU A 101 7.983 -4.346 -1.932 1.00 0.00 H new ATOM 0 HA GLU A 101 8.922 -6.121 -0.054 1.00 0.00 H new ATOM 0 HB2 GLU A 101 8.815 -6.273 -2.620 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.366 -5.458 -2.632 1.00 0.00 H new ATOM 0 HG2 GLU A 101 11.165 -7.332 -1.034 1.00 0.00 H new ATOM 0 HG3 GLU A 101 9.697 -8.177 -1.483 1.00 0.00 H new ATOM 507 N PHE A 102 10.795 -3.497 -0.316 1.00 0.00 N ATOM 508 CA PHE A 102 11.925 -2.772 0.245 1.00 0.00 C ATOM 509 C PHE A 102 11.584 -2.316 1.657 1.00 0.00 C ATOM 510 O PHE A 102 12.381 -2.447 2.586 1.00 0.00 O ATOM 511 CB PHE A 102 12.245 -1.564 -0.639 1.00 0.00 C ATOM 512 CG PHE A 102 13.019 -0.474 0.051 1.00 0.00 C ATOM 513 CD1 PHE A 102 12.360 0.501 0.782 1.00 0.00 C ATOM 514 CD2 PHE A 102 14.400 -0.424 -0.035 1.00 0.00 C ATOM 515 CE1 PHE A 102 13.065 1.507 1.415 1.00 0.00 C ATOM 516 CE2 PHE A 102 15.112 0.581 0.595 1.00 0.00 C ATOM 517 CZ PHE A 102 14.442 1.547 1.322 1.00 0.00 C ATOM 0 H PHE A 102 10.172 -2.923 -0.884 1.00 0.00 H new ATOM 0 HA PHE A 102 12.798 -3.423 0.284 1.00 0.00 H new ATOM 0 HB2 PHE A 102 12.813 -1.904 -1.505 1.00 0.00 H new ATOM 0 HB3 PHE A 102 11.311 -1.147 -1.015 1.00 0.00 H new ATOM 0 HD1 PHE A 102 11.283 0.475 0.858 1.00 0.00 H new ATOM 0 HD2 PHE A 102 14.927 -1.178 -0.600 1.00 0.00 H new ATOM 0 HE1 PHE A 102 12.539 2.261 1.982 1.00 0.00 H new ATOM 0 HE2 PHE A 102 16.189 0.611 0.519 1.00 0.00 H new ATOM 0 HZ PHE A 102 14.995 2.332 1.817 1.00 0.00 H new ATOM 527 N TYR A 103 10.381 -1.780 1.792 1.00 0.00 N ATOM 528 CA TYR A 103 9.882 -1.286 3.066 1.00 0.00 C ATOM 529 C TYR A 103 9.966 -2.362 4.146 1.00 0.00 C ATOM 530 O TYR A 103 10.560 -2.157 5.203 1.00 0.00 O ATOM 531 CB TYR A 103 8.428 -0.821 2.899 1.00 0.00 C ATOM 532 CG TYR A 103 7.432 -1.602 3.733 1.00 0.00 C ATOM 533 CD1 TYR A 103 7.290 -1.334 5.085 1.00 0.00 C ATOM 534 CD2 TYR A 103 6.646 -2.609 3.175 1.00 0.00 C ATOM 535 CE1 TYR A 103 6.396 -2.037 5.863 1.00 0.00 C ATOM 536 CE2 TYR A 103 5.747 -3.319 3.950 1.00 0.00 C ATOM 537 CZ TYR A 103 5.626 -3.029 5.293 1.00 0.00 C ATOM 538 OH TYR A 103 4.733 -3.733 6.068 1.00 0.00 O ATOM 0 H TYR A 103 9.722 -1.675 1.020 1.00 0.00 H new ATOM 0 HA TYR A 103 10.503 -0.447 3.380 1.00 0.00 H new ATOM 0 HB2 TYR A 103 8.362 0.234 3.166 1.00 0.00 H new ATOM 0 HB3 TYR A 103 8.150 -0.902 1.848 1.00 0.00 H new ATOM 0 HD1 TYR A 103 7.891 -0.559 5.538 1.00 0.00 H new ATOM 0 HD2 TYR A 103 6.740 -2.838 2.124 1.00 0.00 H new ATOM 0 HE1 TYR A 103 6.299 -1.812 6.915 1.00 0.00 H new ATOM 0 HE2 TYR A 103 5.143 -4.096 3.506 1.00 0.00 H new ATOM 0 HH TYR A 103 4.410 -3.162 6.796 1.00 0.00 H new ATOM 548 N PHE A 104 9.338 -3.501 3.878 1.00 0.00 N ATOM 549 CA PHE A 104 9.313 -4.603 4.836 1.00 0.00 C ATOM 550 C PHE A 104 10.670 -5.302 4.961 1.00 0.00 C ATOM 551 O PHE A 104 10.799 -6.274 5.705 1.00 0.00 O ATOM 552 CB PHE A 104 8.218 -5.611 4.459 1.00 0.00 C ATOM 553 CG PHE A 104 8.701 -6.775 3.634 1.00 0.00 C ATOM 554 CD1 PHE A 104 9.376 -6.567 2.443 1.00 0.00 C ATOM 555 CD2 PHE A 104 8.477 -8.077 4.055 1.00 0.00 C ATOM 556 CE1 PHE A 104 9.820 -7.635 1.686 1.00 0.00 C ATOM 557 CE2 PHE A 104 8.917 -9.149 3.303 1.00 0.00 C ATOM 558 CZ PHE A 104 9.590 -8.928 2.117 1.00 0.00 C ATOM 0 H PHE A 104 8.840 -3.687 3.007 1.00 0.00 H new ATOM 0 HA PHE A 104 9.087 -4.176 5.813 1.00 0.00 H new ATOM 0 HB2 PHE A 104 7.763 -5.993 5.373 1.00 0.00 H new ATOM 0 HB3 PHE A 104 7.436 -5.090 3.907 1.00 0.00 H new ATOM 0 HD1 PHE A 104 9.558 -5.559 2.102 1.00 0.00 H new ATOM 0 HD2 PHE A 104 7.952 -8.255 4.982 1.00 0.00 H new ATOM 0 HE1 PHE A 104 10.346 -7.459 0.759 1.00 0.00 H new ATOM 0 HE2 PHE A 104 8.735 -10.158 3.642 1.00 0.00 H new ATOM 0 HZ PHE A 104 9.936 -9.764 1.527 1.00 0.00 H new ATOM 568 N SER A 105 11.682 -4.809 4.253 1.00 0.00 N ATOM 569 CA SER A 105 13.009 -5.406 4.332 1.00 0.00 C ATOM 570 C SER A 105 13.508 -5.379 5.776 1.00 0.00 C ATOM 571 O SER A 105 13.253 -4.421 6.504 1.00 0.00 O ATOM 572 CB SER A 105 13.987 -4.660 3.423 1.00 0.00 C ATOM 573 OG SER A 105 15.203 -5.374 3.287 1.00 0.00 O ATOM 0 H SER A 105 11.610 -4.008 3.626 1.00 0.00 H new ATOM 0 HA SER A 105 12.946 -6.441 3.997 1.00 0.00 H new ATOM 0 HB2 SER A 105 13.536 -4.513 2.442 1.00 0.00 H new ATOM 0 HB3 SER A 105 14.187 -3.670 3.833 1.00 0.00 H new ATOM 0 HG SER A 105 15.810 -4.877 2.700 1.00 0.00 H new ATOM 579 N ASP A 106 14.206 -6.435 6.187 1.00 0.00 N ATOM 580 CA ASP A 106 14.728 -6.534 7.555 1.00 0.00 C ATOM 581 C ASP A 106 15.284 -5.195 8.044 1.00 0.00 C ATOM 582 O ASP A 106 14.803 -4.623 9.023 1.00 0.00 O ATOM 583 CB ASP A 106 15.833 -7.593 7.639 1.00 0.00 C ATOM 584 CG ASP A 106 16.674 -7.674 6.378 1.00 0.00 C ATOM 585 OD1 ASP A 106 16.103 -7.929 5.296 1.00 0.00 O ATOM 586 OD2 ASP A 106 17.905 -7.483 6.472 1.00 0.00 O1- ATOM 0 H ASP A 106 14.425 -7.236 5.595 1.00 0.00 H new ATOM 0 HA ASP A 106 13.893 -6.822 8.194 1.00 0.00 H new ATOM 0 HB2 ASP A 106 16.480 -7.368 8.487 1.00 0.00 H new ATOM 0 HB3 ASP A 106 15.382 -8.566 7.831 1.00 0.00 H new ATOM 591 N GLU A 107 16.309 -4.712 7.351 1.00 0.00 N ATOM 592 CA GLU A 107 16.957 -3.451 7.692 1.00 0.00 C ATOM 593 C GLU A 107 16.008 -2.269 7.559 1.00 0.00 C ATOM 594 O GLU A 107 16.267 -1.186 8.083 1.00 0.00 O ATOM 595 CB GLU A 107 18.152 -3.231 6.777 1.00 0.00 C ATOM 596 CG GLU A 107 19.229 -4.287 6.930 1.00 0.00 C ATOM 597 CD GLU A 107 20.022 -4.131 8.213 1.00 0.00 C ATOM 598 OE1 GLU A 107 20.424 -2.992 8.529 1.00 0.00 O1- ATOM 599 OE2 GLU A 107 20.242 -5.150 8.901 1.00 0.00 O ATOM 0 H GLU A 107 16.713 -5.181 6.540 1.00 0.00 H new ATOM 0 HA GLU A 107 17.275 -3.515 8.732 1.00 0.00 H new ATOM 0 HB2 GLU A 107 17.810 -3.218 5.742 1.00 0.00 H new ATOM 0 HB3 GLU A 107 18.582 -2.251 6.983 1.00 0.00 H new ATOM 0 HG2 GLU A 107 18.769 -5.275 6.910 1.00 0.00 H new ATOM 0 HG3 GLU A 107 19.908 -4.234 6.079 1.00 0.00 H new ATOM 606 N ASN A 108 14.916 -2.481 6.847 1.00 0.00 N ATOM 607 CA ASN A 108 13.930 -1.433 6.632 1.00 0.00 C ATOM 608 C ASN A 108 12.868 -1.457 7.722 1.00 0.00 C ATOM 609 O ASN A 108 12.140 -0.484 7.912 1.00 0.00 O ATOM 610 CB ASN A 108 13.282 -1.580 5.255 1.00 0.00 C ATOM 611 CG ASN A 108 14.185 -1.089 4.140 1.00 0.00 C ATOM 612 OD1 ASN A 108 13.834 -0.168 3.405 1.00 0.00 O ATOM 613 ND2 ASN A 108 15.355 -1.702 4.007 1.00 0.00 N ATOM 0 H ASN A 108 14.688 -3.372 6.406 1.00 0.00 H new ATOM 0 HA ASN A 108 14.443 -0.472 6.674 1.00 0.00 H new ATOM 0 HB2 ASN A 108 13.032 -2.627 5.083 1.00 0.00 H new ATOM 0 HB3 ASN A 108 12.346 -1.022 5.235 1.00 0.00 H new ATOM 0 HD21 ASN A 108 16.002 -1.413 3.273 1.00 0.00 H new ATOM 0 HD22 ASN A 108 15.607 -2.462 4.639 1.00 0.00 H new ATOM 620 N LEU A 109 12.801 -2.565 8.449 1.00 0.00 N ATOM 621 CA LEU A 109 11.857 -2.709 9.530 1.00 0.00 C ATOM 622 C LEU A 109 12.302 -1.865 10.698 1.00 0.00 C ATOM 623 O LEU A 109 11.551 -1.037 11.213 1.00 0.00 O ATOM 624 CB LEU A 109 11.778 -4.162 9.940 1.00 0.00 C ATOM 625 CG LEU A 109 10.729 -4.975 9.202 1.00 0.00 C ATOM 626 CD1 LEU A 109 9.491 -5.097 10.064 1.00 0.00 C ATOM 627 CD2 LEU A 109 10.373 -4.351 7.861 1.00 0.00 C ATOM 0 H LEU A 109 13.398 -3.379 8.301 1.00 0.00 H new ATOM 0 HA LEU A 109 10.871 -2.378 9.205 1.00 0.00 H new ATOM 0 HB2 LEU A 109 12.753 -4.623 9.782 1.00 0.00 H new ATOM 0 HB3 LEU A 109 11.571 -4.213 11.009 1.00 0.00 H new ATOM 0 HG LEU A 109 11.142 -5.964 9.003 1.00 0.00 H new ATOM 0 HD11 LEU A 109 8.736 -5.680 9.536 1.00 0.00 H new ATOM 0 HD12 LEU A 109 9.746 -5.595 10.999 1.00 0.00 H new ATOM 0 HD13 LEU A 109 9.097 -4.103 10.278 1.00 0.00 H new ATOM 0 HD21 LEU A 109 9.620 -4.962 7.364 1.00 0.00 H new ATOM 0 HD22 LEU A 109 9.979 -3.347 8.020 1.00 0.00 H new ATOM 0 HD23 LEU A 109 11.265 -4.296 7.237 1.00 0.00 H new ATOM 639 N GLU A 110 13.553 -2.066 11.094 1.00 0.00 N ATOM 640 CA GLU A 110 14.127 -1.306 12.183 1.00 0.00 C ATOM 641 C GLU A 110 13.995 0.193 11.913 1.00 0.00 C ATOM 642 O GLU A 110 14.204 1.017 12.804 1.00 0.00 O ATOM 643 CB GLU A 110 15.602 -1.653 12.413 1.00 0.00 C ATOM 644 CG GLU A 110 16.162 -2.699 11.474 1.00 0.00 C ATOM 645 CD GLU A 110 17.678 -2.758 11.504 1.00 0.00 C ATOM 646 OE1 GLU A 110 18.288 -2.012 12.299 1.00 0.00 O1- ATOM 647 OE2 GLU A 110 18.257 -3.551 10.731 1.00 0.00 O ATOM 0 H GLU A 110 14.184 -2.749 10.674 1.00 0.00 H new ATOM 0 HA GLU A 110 13.573 -1.570 13.084 1.00 0.00 H new ATOM 0 HB2 GLU A 110 16.194 -0.743 12.315 1.00 0.00 H new ATOM 0 HB3 GLU A 110 15.723 -2.003 13.438 1.00 0.00 H new ATOM 0 HG2 GLU A 110 15.759 -3.676 11.742 1.00 0.00 H new ATOM 0 HG3 GLU A 110 15.830 -2.485 10.458 1.00 0.00 H new ATOM 654 N LYS A 111 13.668 0.537 10.666 1.00 0.00 N ATOM 655 CA LYS A 111 13.533 1.923 10.259 1.00 0.00 C ATOM 656 C LYS A 111 12.103 2.250 9.817 1.00 0.00 C ATOM 657 O LYS A 111 11.750 3.421 9.664 1.00 0.00 O ATOM 658 CB LYS A 111 14.527 2.205 9.122 1.00 0.00 C ATOM 659 CG LYS A 111 13.916 2.869 7.898 1.00 0.00 C ATOM 660 CD LYS A 111 14.961 3.137 6.827 1.00 0.00 C ATOM 661 CE LYS A 111 15.501 1.843 6.238 1.00 0.00 C ATOM 662 NZ LYS A 111 16.585 2.094 5.249 1.00 0.00 N1+ ATOM 0 H LYS A 111 13.492 -0.137 9.921 1.00 0.00 H new ATOM 0 HA LYS A 111 13.754 2.561 11.114 1.00 0.00 H new ATOM 0 HB2 LYS A 111 15.325 2.841 9.504 1.00 0.00 H new ATOM 0 HB3 LYS A 111 14.987 1.265 8.818 1.00 0.00 H new ATOM 0 HG2 LYS A 111 13.132 2.231 7.491 1.00 0.00 H new ATOM 0 HG3 LYS A 111 13.444 3.807 8.190 1.00 0.00 H new ATOM 0 HD2 LYS A 111 14.524 3.744 6.034 1.00 0.00 H new ATOM 0 HD3 LYS A 111 15.781 3.714 7.254 1.00 0.00 H new ATOM 0 HE2 LYS A 111 15.880 1.210 7.040 1.00 0.00 H new ATOM 0 HE3 LYS A 111 14.690 1.297 5.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 16.926 1.187 4.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 16.217 2.677 4.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 17.370 2.593 5.714 1.00 0.00 H new ATOM 676 N ASP A 112 11.289 1.222 9.587 1.00 0.00 N ATOM 677 CA ASP A 112 9.916 1.435 9.136 1.00 0.00 C ATOM 678 C ASP A 112 8.898 0.940 10.149 1.00 0.00 C ATOM 679 O ASP A 112 8.152 -0.008 9.898 1.00 0.00 O ATOM 680 CB ASP A 112 9.698 0.747 7.800 1.00 0.00 C ATOM 681 CG ASP A 112 8.423 1.199 7.118 1.00 0.00 C ATOM 682 OD1 ASP A 112 7.368 1.219 7.786 1.00 0.00 O1- ATOM 683 OD2 ASP A 112 8.480 1.536 5.917 1.00 0.00 O ATOM 0 H ASP A 112 11.552 0.244 9.704 1.00 0.00 H new ATOM 0 HA ASP A 112 9.769 2.509 9.025 1.00 0.00 H new ATOM 0 HB2 ASP A 112 10.547 0.950 7.147 1.00 0.00 H new ATOM 0 HB3 ASP A 112 9.663 -0.332 7.952 1.00 0.00 H new ATOM 688 N ALA A 113 8.867 1.606 11.283 1.00 0.00 N ATOM 689 CA ALA A 113 7.933 1.270 12.351 1.00 0.00 C ATOM 690 C ALA A 113 6.539 1.839 12.070 1.00 0.00 C ATOM 691 O ALA A 113 5.591 1.568 12.806 1.00 0.00 O ATOM 692 CB ALA A 113 8.453 1.778 13.687 1.00 0.00 C ATOM 0 H ALA A 113 9.482 2.392 11.496 1.00 0.00 H new ATOM 0 HA ALA A 113 7.849 0.184 12.395 1.00 0.00 H new ATOM 0 HB1 ALA A 113 7.745 1.520 14.475 1.00 0.00 H new ATOM 0 HB2 ALA A 113 9.418 1.318 13.901 1.00 0.00 H new ATOM 0 HB3 ALA A 113 8.569 2.861 13.644 1.00 0.00 H new ATOM 698 N PHE A 114 6.426 2.638 11.010 1.00 0.00 N ATOM 699 CA PHE A 114 5.152 3.256 10.645 1.00 0.00 C ATOM 700 C PHE A 114 4.295 2.320 9.791 1.00 0.00 C ATOM 701 O PHE A 114 3.092 2.189 10.019 1.00 0.00 O ATOM 702 CB PHE A 114 5.399 4.564 9.885 1.00 0.00 C ATOM 703 CG PHE A 114 6.402 4.427 8.773 1.00 0.00 C ATOM 704 CD1 PHE A 114 6.040 3.858 7.563 1.00 0.00 C ATOM 705 CD2 PHE A 114 7.708 4.858 8.942 1.00 0.00 C ATOM 706 CE1 PHE A 114 6.958 3.717 6.544 1.00 0.00 C ATOM 707 CE2 PHE A 114 8.634 4.720 7.925 1.00 0.00 C ATOM 708 CZ PHE A 114 8.258 4.147 6.724 1.00 0.00 C ATOM 0 H PHE A 114 7.201 2.873 10.389 1.00 0.00 H new ATOM 0 HA PHE A 114 4.610 3.464 11.568 1.00 0.00 H new ATOM 0 HB2 PHE A 114 4.455 4.919 9.472 1.00 0.00 H new ATOM 0 HB3 PHE A 114 5.746 5.323 10.586 1.00 0.00 H new ATOM 0 HD1 PHE A 114 5.025 3.520 7.416 1.00 0.00 H new ATOM 0 HD2 PHE A 114 8.006 5.307 9.878 1.00 0.00 H new ATOM 0 HE1 PHE A 114 6.661 3.271 5.606 1.00 0.00 H new ATOM 0 HE2 PHE A 114 9.649 5.059 8.068 1.00 0.00 H new ATOM 0 HZ PHE A 114 8.980 4.036 5.928 1.00 0.00 H new ATOM 718 N LEU A 115 4.917 1.683 8.805 1.00 0.00 N ATOM 719 CA LEU A 115 4.207 0.773 7.912 1.00 0.00 C ATOM 720 C LEU A 115 4.096 -0.620 8.525 1.00 0.00 C ATOM 721 O LEU A 115 3.213 -1.398 8.164 1.00 0.00 O ATOM 722 CB LEU A 115 4.912 0.709 6.551 1.00 0.00 C ATOM 723 CG LEU A 115 4.075 0.131 5.402 1.00 0.00 C ATOM 724 CD1 LEU A 115 2.851 0.997 5.143 1.00 0.00 C ATOM 725 CD2 LEU A 115 4.913 0.002 4.133 1.00 0.00 C ATOM 0 H LEU A 115 5.912 1.780 8.603 1.00 0.00 H new ATOM 0 HA LEU A 115 3.197 1.156 7.766 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.228 1.716 6.277 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.816 0.109 6.657 1.00 0.00 H new ATOM 0 HG LEU A 115 3.740 -0.864 5.694 1.00 0.00 H new ATOM 0 HD11 LEU A 115 2.270 0.571 4.325 1.00 0.00 H new ATOM 0 HD12 LEU A 115 2.236 1.036 6.042 1.00 0.00 H new ATOM 0 HD13 LEU A 115 3.168 2.005 4.876 1.00 0.00 H new ATOM 0 HD21 LEU A 115 4.299 -0.410 3.332 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.282 0.985 3.839 1.00 0.00 H new ATOM 0 HD23 LEU A 115 5.757 -0.661 4.320 1.00 0.00 H new ATOM 737 N LEU A 116 4.995 -0.927 9.457 1.00 0.00 N ATOM 738 CA LEU A 116 4.991 -2.225 10.121 1.00 0.00 C ATOM 739 C LEU A 116 3.996 -2.236 11.278 1.00 0.00 C ATOM 740 O LEU A 116 3.022 -2.985 11.262 1.00 0.00 O ATOM 741 CB LEU A 116 6.394 -2.565 10.633 1.00 0.00 C ATOM 742 CG LEU A 116 6.525 -3.916 11.346 1.00 0.00 C ATOM 743 CD1 LEU A 116 6.004 -3.822 12.772 1.00 0.00 C ATOM 744 CD2 LEU A 116 5.787 -5.004 10.578 1.00 0.00 C ATOM 0 H LEU A 116 5.733 -0.295 9.768 1.00 0.00 H new ATOM 0 HA LEU A 116 4.687 -2.979 9.395 1.00 0.00 H new ATOM 0 HB2 LEU A 116 7.084 -2.551 9.789 1.00 0.00 H new ATOM 0 HB3 LEU A 116 6.712 -1.779 11.318 1.00 0.00 H new ATOM 0 HG LEU A 116 7.582 -4.180 11.383 1.00 0.00 H new ATOM 0 HD11 LEU A 116 6.106 -4.791 13.261 1.00 0.00 H new ATOM 0 HD12 LEU A 116 6.579 -3.076 13.321 1.00 0.00 H new ATOM 0 HD13 LEU A 116 4.954 -3.531 12.757 1.00 0.00 H new ATOM 0 HD21 LEU A 116 5.893 -5.954 11.101 1.00 0.00 H new ATOM 0 HD22 LEU A 116 4.731 -4.745 10.505 1.00 0.00 H new ATOM 0 HD23 LEU A 116 6.209 -5.092 9.577 1.00 0.00 H new ATOM 922 N TYR A 126 -2.877 -6.328 8.711 1.00 0.00 N ATOM 923 CA TYR A 126 -2.727 -5.928 7.316 1.00 0.00 C ATOM 924 C TYR A 126 -2.348 -4.455 7.199 1.00 0.00 C ATOM 925 O TYR A 126 -2.686 -3.645 8.063 1.00 0.00 O ATOM 926 CB TYR A 126 -4.027 -6.186 6.549 1.00 0.00 C ATOM 927 CG TYR A 126 -4.414 -7.646 6.478 1.00 0.00 C ATOM 928 CD1 TYR A 126 -4.693 -8.369 7.631 1.00 0.00 C ATOM 929 CD2 TYR A 126 -4.505 -8.299 5.255 1.00 0.00 C ATOM 930 CE1 TYR A 126 -5.049 -9.703 7.567 1.00 0.00 C ATOM 931 CE2 TYR A 126 -4.861 -9.633 5.183 1.00 0.00 C ATOM 932 CZ TYR A 126 -5.132 -10.330 6.342 1.00 0.00 C ATOM 933 OH TYR A 126 -5.486 -11.657 6.275 1.00 0.00 O ATOM 0 HA TYR A 126 -1.924 -6.525 6.884 1.00 0.00 H new ATOM 0 HB2 TYR A 126 -4.835 -5.628 7.023 1.00 0.00 H new ATOM 0 HB3 TYR A 126 -3.923 -5.797 5.536 1.00 0.00 H new ATOM 0 HD1 TYR A 126 -4.631 -7.881 8.592 1.00 0.00 H new ATOM 0 HD2 TYR A 126 -4.294 -7.756 4.346 1.00 0.00 H new ATOM 0 HE1 TYR A 126 -5.261 -10.252 8.473 1.00 0.00 H new ATOM 0 HE2 TYR A 126 -4.927 -10.127 4.225 1.00 0.00 H new ATOM 0 HH TYR A 126 -5.499 -11.945 5.338 1.00 0.00 H new ATOM 943 N VAL A 127 -1.655 -4.113 6.116 1.00 0.00 N ATOM 944 CA VAL A 127 -1.243 -2.739 5.870 1.00 0.00 C ATOM 945 C VAL A 127 -2.235 -2.059 4.936 1.00 0.00 C ATOM 946 O VAL A 127 -2.473 -2.530 3.825 1.00 0.00 O ATOM 947 CB VAL A 127 0.163 -2.692 5.245 1.00 0.00 C ATOM 948 CG1 VAL A 127 0.610 -1.263 4.993 1.00 0.00 C ATOM 949 CG2 VAL A 127 1.164 -3.426 6.125 1.00 0.00 C ATOM 0 H VAL A 127 -1.367 -4.773 5.394 1.00 0.00 H new ATOM 0 HA VAL A 127 -1.219 -2.214 6.825 1.00 0.00 H new ATOM 0 HB VAL A 127 0.117 -3.197 4.280 1.00 0.00 H new ATOM 0 HG11 VAL A 127 1.607 -1.266 4.551 1.00 0.00 H new ATOM 0 HG12 VAL A 127 -0.088 -0.778 4.310 1.00 0.00 H new ATOM 0 HG13 VAL A 127 0.633 -0.717 5.936 1.00 0.00 H new ATOM 0 HG21 VAL A 127 2.152 -3.382 5.667 1.00 0.00 H new ATOM 0 HG22 VAL A 127 1.198 -2.955 7.108 1.00 0.00 H new ATOM 0 HG23 VAL A 127 0.860 -4.467 6.232 1.00 0.00 H new ATOM 959 N SER A 128 -2.827 -0.965 5.393 1.00 0.00 N ATOM 960 CA SER A 128 -3.810 -0.251 4.592 1.00 0.00 C ATOM 961 C SER A 128 -3.156 0.560 3.477 1.00 0.00 C ATOM 962 O SER A 128 -2.246 1.359 3.717 1.00 0.00 O ATOM 963 CB SER A 128 -4.656 0.666 5.478 1.00 0.00 C ATOM 964 OG SER A 128 -5.917 0.927 4.887 1.00 0.00 O ATOM 0 H SER A 128 -2.645 -0.554 6.309 1.00 0.00 H new ATOM 0 HA SER A 128 -4.453 -0.998 4.127 1.00 0.00 H new ATOM 0 HB2 SER A 128 -4.798 0.203 6.455 1.00 0.00 H new ATOM 0 HB3 SER A 128 -4.128 1.605 5.644 1.00 0.00 H new ATOM 0 HG SER A 128 -6.438 1.514 5.474 1.00 0.00 H new ATOM 970 N VAL A 129 -3.636 0.354 2.254 1.00 0.00 N ATOM 971 CA VAL A 129 -3.111 1.066 1.098 1.00 0.00 C ATOM 972 C VAL A 129 -3.375 2.566 1.214 1.00 0.00 C ATOM 973 O VAL A 129 -2.667 3.379 0.622 1.00 0.00 O ATOM 974 CB VAL A 129 -3.718 0.534 -0.219 1.00 0.00 C ATOM 975 CG1 VAL A 129 -5.134 1.058 -0.422 1.00 0.00 C ATOM 976 CG2 VAL A 129 -2.826 0.901 -1.396 1.00 0.00 C ATOM 0 H VAL A 129 -4.388 -0.301 2.040 1.00 0.00 H new ATOM 0 HA VAL A 129 -2.035 0.894 1.078 1.00 0.00 H new ATOM 0 HB VAL A 129 -3.776 -0.553 -0.156 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -5.536 0.667 -1.357 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -5.764 0.735 0.407 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -5.117 2.147 -0.462 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -3.265 0.520 -2.318 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -2.734 1.985 -1.459 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -1.839 0.461 -1.256 1.00 0.00 H new ATOM 986 N LYS A 130 -4.401 2.927 1.983 1.00 0.00 N ATOM 987 CA LYS A 130 -4.749 4.331 2.176 1.00 0.00 C ATOM 988 C LYS A 130 -3.527 5.128 2.620 1.00 0.00 C ATOM 989 O LYS A 130 -3.338 6.274 2.214 1.00 0.00 O ATOM 990 CB LYS A 130 -5.870 4.463 3.211 1.00 0.00 C ATOM 991 CG LYS A 130 -7.213 4.838 2.610 1.00 0.00 C ATOM 992 CD LYS A 130 -7.666 3.819 1.577 1.00 0.00 C ATOM 993 CE LYS A 130 -8.356 4.488 0.399 1.00 0.00 C ATOM 994 NZ LYS A 130 -9.818 4.647 0.629 1.00 0.00 N1+ ATOM 0 H LYS A 130 -5.002 2.269 2.480 1.00 0.00 H new ATOM 0 HA LYS A 130 -5.099 4.733 1.226 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -5.972 3.519 3.746 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -5.587 5.217 3.946 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -7.959 4.911 3.401 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -7.143 5.822 2.146 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -6.805 3.252 1.222 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -8.347 3.106 2.042 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -7.908 5.466 0.223 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -8.192 3.896 -0.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -10.251 5.107 -0.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -10.251 3.712 0.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -9.975 5.233 1.474 1.00 0.00 H new ATOM 1008 N LEU A 131 -2.697 4.503 3.449 1.00 0.00 N ATOM 1009 CA LEU A 131 -1.487 5.142 3.942 1.00 0.00 C ATOM 1010 C LEU A 131 -0.346 4.988 2.936 1.00 0.00 C ATOM 1011 O LEU A 131 0.541 5.837 2.855 1.00 0.00 O ATOM 1012 CB LEU A 131 -1.104 4.566 5.309 1.00 0.00 C ATOM 1013 CG LEU A 131 0.009 3.527 5.285 1.00 0.00 C ATOM 1014 CD1 LEU A 131 1.357 4.190 5.510 1.00 0.00 C ATOM 1015 CD2 LEU A 131 -0.241 2.441 6.322 1.00 0.00 C ATOM 0 H LEU A 131 -2.842 3.554 3.792 1.00 0.00 H new ATOM 0 HA LEU A 131 -1.678 6.208 4.064 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -0.800 5.386 5.959 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -1.990 4.116 5.757 1.00 0.00 H new ATOM 0 HG LEU A 131 0.018 3.056 4.302 1.00 0.00 H new ATOM 0 HD11 LEU A 131 2.142 3.434 5.490 1.00 0.00 H new ATOM 0 HD12 LEU A 131 1.538 4.922 4.723 1.00 0.00 H new ATOM 0 HD13 LEU A 131 1.359 4.690 6.479 1.00 0.00 H new ATOM 0 HD21 LEU A 131 0.567 1.710 6.286 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -0.281 2.889 7.315 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -1.188 1.945 6.109 1.00 0.00 H new ATOM 1027 N LEU A 132 -0.378 3.898 2.169 1.00 0.00 N ATOM 1028 CA LEU A 132 0.653 3.637 1.166 1.00 0.00 C ATOM 1029 C LEU A 132 0.853 4.847 0.259 1.00 0.00 C ATOM 1030 O LEU A 132 1.974 5.163 -0.136 1.00 0.00 O ATOM 1031 CB LEU A 132 0.280 2.416 0.321 1.00 0.00 C ATOM 1032 CG LEU A 132 0.803 1.076 0.840 1.00 0.00 C ATOM 1033 CD1 LEU A 132 0.571 0.954 2.337 1.00 0.00 C ATOM 1034 CD2 LEU A 132 0.137 -0.075 0.099 1.00 0.00 C ATOM 0 H LEU A 132 -1.104 3.184 2.223 1.00 0.00 H new ATOM 0 HA LEU A 132 1.587 3.438 1.692 1.00 0.00 H new ATOM 0 HB2 LEU A 132 -0.806 2.361 0.252 1.00 0.00 H new ATOM 0 HB3 LEU A 132 0.656 2.567 -0.691 1.00 0.00 H new ATOM 0 HG LEU A 132 1.877 1.030 0.657 1.00 0.00 H new ATOM 0 HD11 LEU A 132 0.950 -0.006 2.687 1.00 0.00 H new ATOM 0 HD12 LEU A 132 1.093 1.760 2.853 1.00 0.00 H new ATOM 0 HD13 LEU A 132 -0.497 1.021 2.546 1.00 0.00 H new ATOM 0 HD21 LEU A 132 0.519 -1.022 0.479 1.00 0.00 H new ATOM 0 HD22 LEU A 132 -0.941 -0.031 0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 132 0.355 0.003 -0.966 1.00 0.00 H new ATOM 1046 N THR A 133 -0.245 5.518 -0.068 1.00 0.00 N ATOM 1047 CA THR A 133 -0.199 6.689 -0.925 1.00 0.00 C ATOM 1048 C THR A 133 0.439 7.862 -0.193 1.00 0.00 C ATOM 1049 O THR A 133 1.262 8.586 -0.751 1.00 0.00 O ATOM 1050 CB THR A 133 -1.610 7.055 -1.371 1.00 0.00 C ATOM 1051 OG1 THR A 133 -2.571 6.554 -0.459 1.00 0.00 O ATOM 1052 CG2 THR A 133 -1.952 6.518 -2.739 1.00 0.00 C ATOM 0 H THR A 133 -1.181 5.267 0.251 1.00 0.00 H new ATOM 0 HA THR A 133 0.407 6.460 -1.801 1.00 0.00 H new ATOM 0 HB THR A 133 -1.633 8.144 -1.405 1.00 0.00 H new ATOM 0 HG1 THR A 133 -2.338 6.837 0.450 1.00 0.00 H new ATOM 0 HG21 THR A 133 -2.969 6.811 -3.001 1.00 0.00 H new ATOM 0 HG22 THR A 133 -1.256 6.924 -3.474 1.00 0.00 H new ATOM 0 HG23 THR A 133 -1.878 5.431 -2.732 1.00 0.00 H new ATOM 1060 N SER A 134 0.057 8.029 1.064 1.00 0.00 N ATOM 1061 CA SER A 134 0.591 9.104 1.891 1.00 0.00 C ATOM 1062 C SER A 134 1.954 8.721 2.465 1.00 0.00 C ATOM 1063 O SER A 134 2.576 9.502 3.185 1.00 0.00 O ATOM 1064 CB SER A 134 -0.380 9.433 3.026 1.00 0.00 C ATOM 1065 OG SER A 134 0.254 10.203 4.032 1.00 0.00 O ATOM 0 H SER A 134 -0.623 7.433 1.536 1.00 0.00 H new ATOM 0 HA SER A 134 0.715 9.986 1.263 1.00 0.00 H new ATOM 0 HB2 SER A 134 -1.235 9.980 2.630 1.00 0.00 H new ATOM 0 HB3 SER A 134 -0.765 8.510 3.459 1.00 0.00 H new ATOM 0 HG SER A 134 1.177 10.395 3.764 1.00 0.00 H new ATOM 1071 N PHE A 135 2.413 7.516 2.137 1.00 0.00 N ATOM 1072 CA PHE A 135 3.701 7.031 2.615 1.00 0.00 C ATOM 1073 C PHE A 135 4.835 7.907 2.079 1.00 0.00 C ATOM 1074 O PHE A 135 5.091 7.941 0.878 1.00 0.00 O ATOM 1075 CB PHE A 135 3.892 5.571 2.196 1.00 0.00 C ATOM 1076 CG PHE A 135 5.235 4.992 2.548 1.00 0.00 C ATOM 1077 CD1 PHE A 135 6.006 5.544 3.560 1.00 0.00 C ATOM 1078 CD2 PHE A 135 5.724 3.889 1.867 1.00 0.00 C ATOM 1079 CE1 PHE A 135 7.238 5.008 3.883 1.00 0.00 C ATOM 1080 CE2 PHE A 135 6.955 3.348 2.187 1.00 0.00 C ATOM 1081 CZ PHE A 135 7.712 3.909 3.195 1.00 0.00 C ATOM 0 H PHE A 135 1.910 6.858 1.541 1.00 0.00 H new ATOM 0 HA PHE A 135 3.722 7.086 3.703 1.00 0.00 H new ATOM 0 HB2 PHE A 135 3.116 4.967 2.665 1.00 0.00 H new ATOM 0 HB3 PHE A 135 3.748 5.494 1.118 1.00 0.00 H new ATOM 0 HD1 PHE A 135 5.639 6.403 4.102 1.00 0.00 H new ATOM 0 HD2 PHE A 135 5.136 3.446 1.076 1.00 0.00 H new ATOM 0 HE1 PHE A 135 7.829 5.448 4.672 1.00 0.00 H new ATOM 0 HE2 PHE A 135 7.324 2.487 1.649 1.00 0.00 H new ATOM 0 HZ PHE A 135 8.675 3.489 3.446 1.00 0.00 H new ATOM 1091 N LYS A 136 5.488 8.630 2.987 1.00 0.00 N ATOM 1092 CA LYS A 136 6.585 9.540 2.638 1.00 0.00 C ATOM 1093 C LYS A 136 7.504 8.981 1.548 1.00 0.00 C ATOM 1094 O LYS A 136 8.046 9.737 0.743 1.00 0.00 O ATOM 1095 CB LYS A 136 7.411 9.862 3.885 1.00 0.00 C ATOM 1096 CG LYS A 136 6.622 10.582 4.967 1.00 0.00 C ATOM 1097 CD LYS A 136 7.061 10.150 6.356 1.00 0.00 C ATOM 1098 CE LYS A 136 5.915 10.230 7.353 1.00 0.00 C ATOM 1099 NZ LYS A 136 6.391 10.580 8.719 1.00 0.00 N1+ ATOM 0 H LYS A 136 5.275 8.604 3.984 1.00 0.00 H new ATOM 0 HA LYS A 136 6.127 10.445 2.240 1.00 0.00 H new ATOM 0 HB2 LYS A 136 7.812 8.935 4.295 1.00 0.00 H new ATOM 0 HB3 LYS A 136 8.263 10.478 3.597 1.00 0.00 H new ATOM 0 HG2 LYS A 136 6.755 11.659 4.861 1.00 0.00 H new ATOM 0 HG3 LYS A 136 5.559 10.378 4.840 1.00 0.00 H new ATOM 0 HD2 LYS A 136 7.441 9.129 6.318 1.00 0.00 H new ATOM 0 HD3 LYS A 136 7.882 10.783 6.692 1.00 0.00 H new ATOM 0 HE2 LYS A 136 5.194 10.975 7.018 1.00 0.00 H new ATOM 0 HE3 LYS A 136 5.394 9.273 7.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 5.580 10.625 9.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 7.060 9.856 9.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 6.866 11.505 8.695 1.00 0.00 H new ATOM 1113 N LYS A 137 7.686 7.667 1.529 1.00 0.00 N ATOM 1114 CA LYS A 137 8.553 7.036 0.539 1.00 0.00 C ATOM 1115 C LYS A 137 7.822 6.845 -0.783 1.00 0.00 C ATOM 1116 O LYS A 137 8.430 6.888 -1.852 1.00 0.00 O ATOM 1117 CB LYS A 137 9.061 5.691 1.057 1.00 0.00 C ATOM 1118 CG LYS A 137 10.489 5.381 0.639 1.00 0.00 C ATOM 1119 CD LYS A 137 11.495 6.106 1.519 1.00 0.00 C ATOM 1120 CE LYS A 137 12.628 6.701 0.698 1.00 0.00 C ATOM 1121 NZ LYS A 137 13.354 7.766 1.443 1.00 0.00 N1+ ATOM 0 H LYS A 137 7.248 7.019 2.184 1.00 0.00 H new ATOM 0 HA LYS A 137 9.405 7.694 0.368 1.00 0.00 H new ATOM 0 HB2 LYS A 137 8.999 5.683 2.145 1.00 0.00 H new ATOM 0 HB3 LYS A 137 8.405 4.900 0.695 1.00 0.00 H new ATOM 0 HG2 LYS A 137 10.661 4.306 0.696 1.00 0.00 H new ATOM 0 HG3 LYS A 137 10.637 5.672 -0.401 1.00 0.00 H new ATOM 0 HD2 LYS A 137 10.991 6.898 2.073 1.00 0.00 H new ATOM 0 HD3 LYS A 137 11.903 5.412 2.254 1.00 0.00 H new ATOM 0 HE2 LYS A 137 13.327 5.912 0.419 1.00 0.00 H new ATOM 0 HE3 LYS A 137 12.227 7.114 -0.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 14.118 8.146 0.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 12.693 8.531 1.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 13.758 7.366 2.314 1.00 0.00 H new ATOM 1135 N VAL A 138 6.514 6.639 -0.704 1.00 0.00 N ATOM 1136 CA VAL A 138 5.702 6.446 -1.893 1.00 0.00 C ATOM 1137 C VAL A 138 5.269 7.788 -2.477 1.00 0.00 C ATOM 1138 O VAL A 138 5.341 8.003 -3.685 1.00 0.00 O ATOM 1139 CB VAL A 138 4.458 5.583 -1.590 1.00 0.00 C ATOM 1140 CG1 VAL A 138 3.458 5.641 -2.736 1.00 0.00 C ATOM 1141 CG2 VAL A 138 4.864 4.144 -1.306 1.00 0.00 C ATOM 0 H VAL A 138 5.994 6.602 0.173 1.00 0.00 H new ATOM 0 HA VAL A 138 6.316 5.921 -2.625 1.00 0.00 H new ATOM 0 HB VAL A 138 3.974 5.989 -0.702 1.00 0.00 H new ATOM 0 HG11 VAL A 138 2.592 5.024 -2.495 1.00 0.00 H new ATOM 0 HG12 VAL A 138 3.138 6.672 -2.888 1.00 0.00 H new ATOM 0 HG13 VAL A 138 3.927 5.269 -3.647 1.00 0.00 H new ATOM 0 HG21 VAL A 138 3.975 3.550 -1.094 1.00 0.00 H new ATOM 0 HG22 VAL A 138 5.377 3.732 -2.175 1.00 0.00 H new ATOM 0 HG23 VAL A 138 5.531 4.117 -0.445 1.00 0.00 H new ATOM 1151 N LYS A 139 4.811 8.685 -1.614 1.00 0.00 N ATOM 1152 CA LYS A 139 4.362 9.998 -2.061 1.00 0.00 C ATOM 1153 C LYS A 139 5.484 10.758 -2.755 1.00 0.00 C ATOM 1154 O LYS A 139 5.231 11.618 -3.598 1.00 0.00 O ATOM 1155 CB LYS A 139 3.825 10.823 -0.898 1.00 0.00 C ATOM 1156 CG LYS A 139 4.830 11.047 0.220 1.00 0.00 C ATOM 1157 CD LYS A 139 4.195 11.765 1.402 1.00 0.00 C ATOM 1158 CE LYS A 139 4.792 13.150 1.600 1.00 0.00 C ATOM 1159 NZ LYS A 139 5.996 13.117 2.475 1.00 0.00 N1+ ATOM 0 H LYS A 139 4.741 8.530 -0.608 1.00 0.00 H new ATOM 0 HA LYS A 139 3.556 9.835 -2.776 1.00 0.00 H new ATOM 0 HB2 LYS A 139 3.495 11.791 -1.275 1.00 0.00 H new ATOM 0 HB3 LYS A 139 2.947 10.325 -0.488 1.00 0.00 H new ATOM 0 HG2 LYS A 139 5.232 10.088 0.548 1.00 0.00 H new ATOM 0 HG3 LYS A 139 5.669 11.633 -0.155 1.00 0.00 H new ATOM 0 HD2 LYS A 139 3.120 11.851 1.242 1.00 0.00 H new ATOM 0 HD3 LYS A 139 4.337 11.174 2.307 1.00 0.00 H new ATOM 0 HE2 LYS A 139 5.059 13.572 0.631 1.00 0.00 H new ATOM 0 HE3 LYS A 139 4.043 13.809 2.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 6.382 14.078 2.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 5.733 12.754 3.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 6.715 12.496 2.053 1.00 0.00 H new ATOM 1173 N HIS A 140 6.724 10.428 -2.412 1.00 0.00 N ATOM 1174 CA HIS A 140 7.876 11.076 -3.026 1.00 0.00 C ATOM 1175 C HIS A 140 8.059 10.590 -4.464 1.00 0.00 C ATOM 1176 O HIS A 140 9.004 10.981 -5.148 1.00 0.00 O ATOM 1177 CB HIS A 140 9.141 10.797 -2.210 1.00 0.00 C ATOM 1178 CG HIS A 140 9.905 12.034 -1.851 1.00 0.00 C ATOM 1179 ND1 HIS A 140 9.297 13.239 -1.570 1.00 0.00 N ATOM 1180 CD2 HIS A 140 11.237 12.247 -1.725 1.00 0.00 C ATOM 1181 CE1 HIS A 140 10.221 14.141 -1.289 1.00 0.00 C ATOM 1182 NE2 HIS A 140 11.406 13.564 -1.375 1.00 0.00 N ATOM 0 H HIS A 140 6.956 9.720 -1.716 1.00 0.00 H new ATOM 0 HA HIS A 140 7.699 12.151 -3.042 1.00 0.00 H new ATOM 0 HB2 HIS A 140 8.865 10.271 -1.296 1.00 0.00 H new ATOM 0 HB3 HIS A 140 9.790 10.130 -2.778 1.00 0.00 H new ATOM 0 HD2 HIS A 140 12.020 11.517 -1.872 1.00 0.00 H new ATOM 0 HE1 HIS A 140 10.038 15.174 -1.033 1.00 0.00 H new ATOM 0 HE2 HIS A 140 12.302 14.023 -1.208 1.00 0.00 H new ATOM 1191 N LEU A 141 7.145 9.729 -4.914 1.00 0.00 N ATOM 1192 CA LEU A 141 7.198 9.181 -6.260 1.00 0.00 C ATOM 1193 C LEU A 141 6.595 10.148 -7.275 1.00 0.00 C ATOM 1194 O LEU A 141 7.315 10.796 -8.035 1.00 0.00 O ATOM 1195 CB LEU A 141 6.445 7.851 -6.302 1.00 0.00 C ATOM 1196 CG LEU A 141 7.009 6.762 -5.392 1.00 0.00 C ATOM 1197 CD1 LEU A 141 6.003 5.635 -5.230 1.00 0.00 C ATOM 1198 CD2 LEU A 141 8.325 6.241 -5.942 1.00 0.00 C ATOM 0 H LEU A 141 6.357 9.398 -4.358 1.00 0.00 H new ATOM 0 HA LEU A 141 8.244 9.022 -6.524 1.00 0.00 H new ATOM 0 HB2 LEU A 141 5.405 8.030 -6.028 1.00 0.00 H new ATOM 0 HB3 LEU A 141 6.445 7.483 -7.328 1.00 0.00 H new ATOM 0 HG LEU A 141 7.199 7.191 -4.408 1.00 0.00 H new ATOM 0 HD11 LEU A 141 6.419 4.866 -4.579 1.00 0.00 H new ATOM 0 HD12 LEU A 141 5.086 6.026 -4.789 1.00 0.00 H new ATOM 0 HD13 LEU A 141 5.781 5.203 -6.206 1.00 0.00 H new ATOM 0 HD21 LEU A 141 8.714 5.466 -5.282 1.00 0.00 H new ATOM 0 HD22 LEU A 141 8.164 5.824 -6.936 1.00 0.00 H new ATOM 0 HD23 LEU A 141 9.043 7.059 -6.003 1.00 0.00 H new ATOM 1210 N THR A 142 5.269 10.235 -7.283 1.00 0.00 N ATOM 1211 CA THR A 142 4.564 11.114 -8.204 1.00 0.00 C ATOM 1212 C THR A 142 3.288 11.651 -7.565 1.00 0.00 C ATOM 1213 O THR A 142 3.012 11.396 -6.393 1.00 0.00 O ATOM 1214 CB THR A 142 4.222 10.361 -9.495 1.00 0.00 C ATOM 1215 OG1 THR A 142 3.810 11.260 -10.508 1.00 0.00 O ATOM 1216 CG2 THR A 142 3.124 9.332 -9.323 1.00 0.00 C ATOM 0 H THR A 142 4.661 9.705 -6.659 1.00 0.00 H new ATOM 0 HA THR A 142 5.215 11.955 -8.442 1.00 0.00 H new ATOM 0 HB THR A 142 5.140 9.844 -9.773 1.00 0.00 H new ATOM 0 HG1 THR A 142 3.000 10.917 -10.940 1.00 0.00 H new ATOM 0 HG21 THR A 142 2.935 8.839 -10.276 1.00 0.00 H new ATOM 0 HG22 THR A 142 3.432 8.591 -8.586 1.00 0.00 H new ATOM 0 HG23 THR A 142 2.213 9.825 -8.983 1.00 0.00 H new ATOM 1224 N ARG A 143 2.502 12.379 -8.351 1.00 0.00 N ATOM 1225 CA ARG A 143 1.244 12.932 -7.870 1.00 0.00 C ATOM 1226 C ARG A 143 0.086 12.035 -8.295 1.00 0.00 C ATOM 1227 O ARG A 143 -1.017 12.507 -8.572 1.00 0.00 O ATOM 1228 CB ARG A 143 1.043 14.351 -8.409 1.00 0.00 C ATOM 1229 CG ARG A 143 0.964 15.409 -7.320 1.00 0.00 C ATOM 1230 CD ARG A 143 2.347 15.881 -6.901 1.00 0.00 C ATOM 1231 NE ARG A 143 2.291 16.806 -5.770 1.00 0.00 N ATOM 1232 CZ ARG A 143 3.367 17.301 -5.164 1.00 0.00 C ATOM 1233 NH1 ARG A 143 4.584 16.963 -5.575 1.00 0.00 N1+ ATOM 1234 NH2 ARG A 143 3.227 18.136 -4.143 1.00 0.00 N ATOM 0 H ARG A 143 2.715 12.599 -9.324 1.00 0.00 H new ATOM 0 HA ARG A 143 1.274 12.979 -6.781 1.00 0.00 H new ATOM 0 HB2 ARG A 143 1.865 14.595 -9.082 1.00 0.00 H new ATOM 0 HB3 ARG A 143 0.127 14.380 -9.000 1.00 0.00 H new ATOM 0 HG2 ARG A 143 0.381 16.258 -7.678 1.00 0.00 H new ATOM 0 HG3 ARG A 143 0.439 15.004 -6.455 1.00 0.00 H new ATOM 0 HD2 ARG A 143 2.959 15.019 -6.634 1.00 0.00 H new ATOM 0 HD3 ARG A 143 2.834 16.369 -7.745 1.00 0.00 H new ATOM 0 HE ARG A 143 1.373 17.088 -5.425 1.00 0.00 H new ATOM 0 HH11 ARG A 143 4.697 16.321 -6.359 1.00 0.00 H new ATOM 0 HH12 ARG A 143 5.405 17.346 -5.106 1.00 0.00 H new ATOM 0 HH21 ARG A 143 2.295 18.398 -3.823 1.00 0.00 H new ATOM 0 HH22 ARG A 143 4.052 18.516 -3.678 1.00 0.00 H new ATOM 1248 N ASP A 144 0.358 10.735 -8.355 1.00 0.00 N ATOM 1249 CA ASP A 144 -0.640 9.754 -8.757 1.00 0.00 C ATOM 1250 C ASP A 144 -0.876 8.729 -7.659 1.00 0.00 C ATOM 1251 O ASP A 144 -0.317 7.633 -7.681 1.00 0.00 O ATOM 1252 CB ASP A 144 -0.205 9.064 -10.049 1.00 0.00 C ATOM 1253 CG ASP A 144 0.152 10.055 -11.140 1.00 0.00 C ATOM 1254 OD1 ASP A 144 -0.566 11.066 -11.282 1.00 0.00 O ATOM 1255 OD2 ASP A 144 1.152 9.819 -11.852 1.00 0.00 O1- ATOM 0 H ASP A 144 1.269 10.336 -8.128 1.00 0.00 H new ATOM 0 HA ASP A 144 -1.581 10.276 -8.933 1.00 0.00 H new ATOM 0 HB2 ASP A 144 0.655 8.426 -9.845 1.00 0.00 H new ATOM 0 HB3 ASP A 144 -1.008 8.415 -10.399 1.00 0.00 H new ATOM 1260 N TRP A 145 -1.723 9.093 -6.706 1.00 0.00 N ATOM 1261 CA TRP A 145 -2.057 8.208 -5.608 1.00 0.00 C ATOM 1262 C TRP A 145 -3.123 7.202 -6.037 1.00 0.00 C ATOM 1263 O TRP A 145 -3.509 6.323 -5.266 1.00 0.00 O ATOM 1264 CB TRP A 145 -2.505 9.025 -4.396 1.00 0.00 C ATOM 1265 CG TRP A 145 -1.342 9.534 -3.596 1.00 0.00 C ATOM 1266 CD1 TRP A 145 -0.020 9.284 -3.836 1.00 0.00 C ATOM 1267 CD2 TRP A 145 -1.387 10.375 -2.439 1.00 0.00 C ATOM 1268 NE1 TRP A 145 0.759 9.914 -2.902 1.00 0.00 N ATOM 1269 CE2 TRP A 145 -0.056 10.592 -2.031 1.00 0.00 C ATOM 1270 CE3 TRP A 145 -2.421 10.966 -1.707 1.00 0.00 C ATOM 1271 CZ2 TRP A 145 0.266 11.376 -0.925 1.00 0.00 C ATOM 1272 CZ3 TRP A 145 -2.100 11.743 -0.609 1.00 0.00 C ATOM 1273 CH2 TRP A 145 -0.766 11.942 -0.228 1.00 0.00 C ATOM 0 H TRP A 145 -2.191 9.999 -6.675 1.00 0.00 H new ATOM 0 HA TRP A 145 -1.171 7.641 -5.322 1.00 0.00 H new ATOM 0 HB2 TRP A 145 -3.110 9.867 -4.731 1.00 0.00 H new ATOM 0 HB3 TRP A 145 -3.140 8.409 -3.759 1.00 0.00 H new ATOM 0 HD1 TRP A 145 0.356 8.677 -4.646 1.00 0.00 H new ATOM 0 HE1 TRP A 145 1.778 9.884 -2.861 1.00 0.00 H new ATOM 0 HE3 TRP A 145 -3.452 10.818 -1.994 1.00 0.00 H new ATOM 0 HZ2 TRP A 145 1.293 11.531 -0.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 145 -2.890 12.204 -0.036 1.00 0.00 H new ATOM 0 HH2 TRP A 145 -0.548 12.555 0.634 1.00 0.00 H new ATOM 1284 N ARG A 146 -3.563 7.314 -7.292 1.00 0.00 N ATOM 1285 CA ARG A 146 -4.545 6.391 -7.845 1.00 0.00 C ATOM 1286 C ARG A 146 -3.807 5.184 -8.401 1.00 0.00 C ATOM 1287 O ARG A 146 -4.174 4.039 -8.139 1.00 0.00 O ATOM 1288 CB ARG A 146 -5.396 7.053 -8.944 1.00 0.00 C ATOM 1289 CG ARG A 146 -5.027 8.499 -9.247 1.00 0.00 C ATOM 1290 CD ARG A 146 -6.166 9.234 -9.932 1.00 0.00 C ATOM 1291 NE ARG A 146 -5.684 10.154 -10.960 1.00 0.00 N ATOM 1292 CZ ARG A 146 -6.418 11.132 -11.485 1.00 0.00 C ATOM 1293 NH1 ARG A 146 -7.670 11.320 -11.083 1.00 0.00 N1+ ATOM 1294 NH2 ARG A 146 -5.901 11.924 -12.415 1.00 0.00 N ATOM 0 H ARG A 146 -3.252 8.036 -7.941 1.00 0.00 H new ATOM 0 HA ARG A 146 -5.231 6.086 -7.054 1.00 0.00 H new ATOM 0 HB2 ARG A 146 -5.302 6.469 -9.859 1.00 0.00 H new ATOM 0 HB3 ARG A 146 -6.444 7.014 -8.647 1.00 0.00 H new ATOM 0 HG2 ARG A 146 -4.768 9.011 -8.320 1.00 0.00 H new ATOM 0 HG3 ARG A 146 -4.142 8.524 -9.883 1.00 0.00 H new ATOM 0 HD2 ARG A 146 -6.845 8.510 -10.383 1.00 0.00 H new ATOM 0 HD3 ARG A 146 -6.739 9.789 -9.189 1.00 0.00 H new ATOM 0 HE ARG A 146 -4.727 10.040 -11.295 1.00 0.00 H new ATOM 0 HH11 ARG A 146 -8.073 10.713 -10.369 1.00 0.00 H new ATOM 0 HH12 ARG A 146 -8.228 12.071 -11.488 1.00 0.00 H new ATOM 0 HH21 ARG A 146 -4.940 11.784 -12.728 1.00 0.00 H new ATOM 0 HH22 ARG A 146 -6.464 12.673 -12.817 1.00 0.00 H new ATOM 1308 N THR A 147 -2.727 5.455 -9.137 1.00 0.00 N ATOM 1309 CA THR A 147 -1.900 4.392 -9.686 1.00 0.00 C ATOM 1310 C THR A 147 -1.248 3.652 -8.550 1.00 0.00 C ATOM 1311 O THR A 147 -1.057 2.443 -8.613 1.00 0.00 O ATOM 1312 CB THR A 147 -0.839 4.946 -10.646 1.00 0.00 C ATOM 1313 OG1 THR A 147 0.099 3.942 -11.000 1.00 0.00 O ATOM 1314 CG2 THR A 147 -0.066 6.106 -10.072 1.00 0.00 C ATOM 0 H THR A 147 -2.410 6.398 -9.363 1.00 0.00 H new ATOM 0 HA THR A 147 -2.530 3.712 -10.260 1.00 0.00 H new ATOM 0 HB THR A 147 -1.395 5.291 -11.518 1.00 0.00 H new ATOM 0 HG1 THR A 147 0.557 4.199 -11.827 1.00 0.00 H new ATOM 0 HG21 THR A 147 0.668 6.451 -10.801 1.00 0.00 H new ATOM 0 HG22 THR A 147 -0.752 6.919 -9.836 1.00 0.00 H new ATOM 0 HG23 THR A 147 0.446 5.788 -9.164 1.00 0.00 H new ATOM 1322 N THR A 148 -0.940 4.382 -7.488 1.00 0.00 N ATOM 1323 CA THR A 148 -0.344 3.764 -6.321 1.00 0.00 C ATOM 1324 C THR A 148 -1.203 2.579 -5.881 1.00 0.00 C ATOM 1325 O THR A 148 -0.697 1.569 -5.385 1.00 0.00 O ATOM 1326 CB THR A 148 -0.221 4.785 -5.181 1.00 0.00 C ATOM 1327 OG1 THR A 148 0.790 5.742 -5.459 1.00 0.00 O ATOM 1328 CG2 THR A 148 0.098 4.158 -3.838 1.00 0.00 C ATOM 0 H THR A 148 -1.091 5.388 -7.413 1.00 0.00 H new ATOM 0 HA THR A 148 0.656 3.410 -6.573 1.00 0.00 H new ATOM 0 HB THR A 148 -1.202 5.256 -5.120 1.00 0.00 H new ATOM 0 HG1 THR A 148 0.471 6.365 -6.145 1.00 0.00 H new ATOM 0 HG21 THR A 148 0.170 4.938 -3.080 1.00 0.00 H new ATOM 0 HG22 THR A 148 -0.693 3.459 -3.565 1.00 0.00 H new ATOM 0 HG23 THR A 148 1.047 3.625 -3.901 1.00 0.00 H new ATOM 1336 N ALA A 149 -2.512 2.713 -6.087 1.00 0.00 N ATOM 1337 CA ALA A 149 -3.456 1.666 -5.724 1.00 0.00 C ATOM 1338 C ALA A 149 -3.546 0.601 -6.810 1.00 0.00 C ATOM 1339 O ALA A 149 -3.252 -0.570 -6.571 1.00 0.00 O ATOM 1340 CB ALA A 149 -4.825 2.267 -5.443 1.00 0.00 C ATOM 0 H ALA A 149 -2.940 3.539 -6.504 1.00 0.00 H new ATOM 0 HA ALA A 149 -3.094 1.182 -4.817 1.00 0.00 H new ATOM 0 HB1 ALA A 149 -5.522 1.474 -5.173 1.00 0.00 H new ATOM 0 HB2 ALA A 149 -4.748 2.978 -4.621 1.00 0.00 H new ATOM 0 HB3 ALA A 149 -5.187 2.780 -6.334 1.00 0.00 H new ATOM 1346 N HIS A 150 -3.949 1.016 -8.008 1.00 0.00 N ATOM 1347 CA HIS A 150 -4.071 0.095 -9.133 1.00 0.00 C ATOM 1348 C HIS A 150 -2.752 -0.630 -9.372 1.00 0.00 C ATOM 1349 O HIS A 150 -2.733 -1.784 -9.798 1.00 0.00 O ATOM 1350 CB HIS A 150 -4.497 0.846 -10.393 1.00 0.00 C ATOM 1351 CG HIS A 150 -5.413 0.059 -11.278 1.00 0.00 C ATOM 1352 ND1 HIS A 150 -6.398 0.641 -12.049 1.00 0.00 N ATOM 1353 CD2 HIS A 150 -5.492 -1.272 -11.512 1.00 0.00 C ATOM 1354 CE1 HIS A 150 -7.043 -0.298 -12.717 1.00 0.00 C ATOM 1355 NE2 HIS A 150 -6.513 -1.467 -12.411 1.00 0.00 N ATOM 0 H HIS A 150 -4.196 1.982 -8.224 1.00 0.00 H new ATOM 0 HA HIS A 150 -4.836 -0.644 -8.893 1.00 0.00 H new ATOM 0 HB2 HIS A 150 -4.992 1.773 -10.104 1.00 0.00 H new ATOM 0 HB3 HIS A 150 -3.608 1.123 -10.959 1.00 0.00 H new ATOM 0 HD1 HIS A 150 -6.597 1.640 -12.096 1.00 0.00 H new ATOM 0 HD2 HIS A 150 -4.869 -2.038 -11.074 1.00 0.00 H new ATOM 0 HE1 HIS A 150 -7.865 -0.136 -13.398 1.00 0.00 H new ATOM 1364 N ALA A 151 -1.650 0.052 -9.083 1.00 0.00 N ATOM 1365 CA ALA A 151 -0.330 -0.539 -9.252 1.00 0.00 C ATOM 1366 C ALA A 151 -0.175 -1.750 -8.343 1.00 0.00 C ATOM 1367 O ALA A 151 0.192 -2.836 -8.792 1.00 0.00 O ATOM 1368 CB ALA A 151 0.759 0.484 -8.958 1.00 0.00 C ATOM 0 H ALA A 151 -1.645 1.010 -8.732 1.00 0.00 H new ATOM 0 HA ALA A 151 -0.228 -0.861 -10.288 1.00 0.00 H new ATOM 0 HB1 ALA A 151 1.737 0.022 -9.090 1.00 0.00 H new ATOM 0 HB2 ALA A 151 0.660 1.327 -9.642 1.00 0.00 H new ATOM 0 HB3 ALA A 151 0.660 0.836 -7.931 1.00 0.00 H new ATOM 1374 N LEU A 152 -0.464 -1.556 -7.060 1.00 0.00 N ATOM 1375 CA LEU A 152 -0.365 -2.629 -6.084 1.00 0.00 C ATOM 1376 C LEU A 152 -1.274 -3.788 -6.451 1.00 0.00 C ATOM 1377 O LEU A 152 -0.935 -4.949 -6.240 1.00 0.00 O ATOM 1378 CB LEU A 152 -0.711 -2.090 -4.706 1.00 0.00 C ATOM 1379 CG LEU A 152 0.493 -1.729 -3.847 1.00 0.00 C ATOM 1380 CD1 LEU A 152 1.663 -1.261 -4.710 1.00 0.00 C ATOM 1381 CD2 LEU A 152 0.116 -0.662 -2.836 1.00 0.00 C ATOM 0 H LEU A 152 -0.769 -0.662 -6.674 1.00 0.00 H new ATOM 0 HA LEU A 152 0.658 -3.005 -6.077 1.00 0.00 H new ATOM 0 HB2 LEU A 152 -1.336 -1.205 -4.823 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -1.308 -2.834 -4.178 1.00 0.00 H new ATOM 0 HG LEU A 152 0.809 -2.624 -3.311 1.00 0.00 H new ATOM 0 HD11 LEU A 152 2.509 -1.010 -4.070 1.00 0.00 H new ATOM 0 HD12 LEU A 152 1.951 -2.058 -5.396 1.00 0.00 H new ATOM 0 HD13 LEU A 152 1.365 -0.381 -5.280 1.00 0.00 H new ATOM 0 HD21 LEU A 152 0.986 -0.413 -2.228 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -0.228 0.230 -3.360 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -0.681 -1.035 -2.193 1.00 0.00 H new ATOM 1393 N LYS A 153 -2.420 -3.469 -7.018 1.00 0.00 N ATOM 1394 CA LYS A 153 -3.365 -4.496 -7.446 1.00 0.00 C ATOM 1395 C LYS A 153 -2.635 -5.545 -8.295 1.00 0.00 C ATOM 1396 O LYS A 153 -3.035 -6.708 -8.348 1.00 0.00 O ATOM 1397 CB LYS A 153 -4.523 -3.864 -8.234 1.00 0.00 C ATOM 1398 CG LYS A 153 -5.212 -4.808 -9.213 1.00 0.00 C ATOM 1399 CD LYS A 153 -6.719 -4.590 -9.236 1.00 0.00 C ATOM 1400 CE LYS A 153 -7.183 -4.033 -10.572 1.00 0.00 C ATOM 1401 NZ LYS A 153 -8.254 -3.012 -10.407 1.00 0.00 N1+ ATOM 0 H LYS A 153 -2.724 -2.512 -7.195 1.00 0.00 H new ATOM 0 HA LYS A 153 -3.785 -4.986 -6.568 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -5.264 -3.489 -7.528 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -4.144 -3.003 -8.785 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -4.806 -4.655 -10.213 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -4.997 -5.840 -8.936 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -7.227 -5.534 -9.038 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -7.000 -3.904 -8.437 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -6.335 -3.589 -11.094 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -7.551 -4.847 -11.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -9.168 -3.418 -10.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -8.302 -2.717 -9.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -8.042 -2.187 -11.003 1.00 0.00 H new ATOM 1415 N TYR A 154 -1.546 -5.115 -8.937 1.00 0.00 N ATOM 1416 CA TYR A 154 -0.731 -6.000 -9.765 1.00 0.00 C ATOM 1417 C TYR A 154 0.554 -6.385 -9.031 1.00 0.00 C ATOM 1418 O TYR A 154 1.540 -6.786 -9.649 1.00 0.00 O ATOM 1419 CB TYR A 154 -0.389 -5.321 -11.092 1.00 0.00 C ATOM 1420 CG TYR A 154 -1.596 -4.798 -11.837 1.00 0.00 C ATOM 1421 CD1 TYR A 154 -2.407 -5.653 -12.574 1.00 0.00 C ATOM 1422 CD2 TYR A 154 -1.925 -3.449 -11.804 1.00 0.00 C ATOM 1423 CE1 TYR A 154 -3.510 -5.177 -13.257 1.00 0.00 C ATOM 1424 CE2 TYR A 154 -3.026 -2.965 -12.483 1.00 0.00 C ATOM 1425 CZ TYR A 154 -3.815 -3.834 -13.209 1.00 0.00 C ATOM 1426 OH TYR A 154 -4.913 -3.356 -13.887 1.00 0.00 O ATOM 0 H TYR A 154 -1.209 -4.153 -8.897 1.00 0.00 H new ATOM 0 HA TYR A 154 -1.304 -6.904 -9.968 1.00 0.00 H new ATOM 0 HB2 TYR A 154 0.295 -4.494 -10.901 1.00 0.00 H new ATOM 0 HB3 TYR A 154 0.139 -6.031 -11.728 1.00 0.00 H new ATOM 0 HD1 TYR A 154 -2.171 -6.706 -12.614 1.00 0.00 H new ATOM 0 HD2 TYR A 154 -1.309 -2.766 -11.237 1.00 0.00 H new ATOM 0 HE1 TYR A 154 -4.130 -5.854 -13.826 1.00 0.00 H new ATOM 0 HE2 TYR A 154 -3.268 -1.913 -12.446 1.00 0.00 H new ATOM 0 HH TYR A 154 -5.477 -2.839 -13.274 1.00 0.00 H new ATOM 1436 N SER A 155 0.525 -6.264 -7.707 1.00 0.00 N ATOM 1437 CA SER A 155 1.661 -6.594 -6.864 1.00 0.00 C ATOM 1438 C SER A 155 1.446 -7.958 -6.243 1.00 0.00 C ATOM 1439 O SER A 155 0.744 -8.095 -5.242 1.00 0.00 O ATOM 1440 CB SER A 155 1.831 -5.547 -5.765 1.00 0.00 C ATOM 1441 OG SER A 155 2.786 -5.967 -4.806 1.00 0.00 O ATOM 0 H SER A 155 -0.290 -5.933 -7.191 1.00 0.00 H new ATOM 0 HA SER A 155 2.564 -6.607 -7.474 1.00 0.00 H new ATOM 0 HB2 SER A 155 2.145 -4.600 -6.205 1.00 0.00 H new ATOM 0 HB3 SER A 155 0.873 -5.369 -5.276 1.00 0.00 H new ATOM 0 HG SER A 155 2.764 -5.362 -4.036 1.00 0.00 H new ATOM 1447 N VAL A 156 2.036 -8.965 -6.854 1.00 0.00 N ATOM 1448 CA VAL A 156 1.892 -10.320 -6.375 1.00 0.00 C ATOM 1449 C VAL A 156 3.081 -10.740 -5.517 1.00 0.00 C ATOM 1450 O VAL A 156 3.175 -11.889 -5.086 1.00 0.00 O ATOM 1451 CB VAL A 156 1.707 -11.279 -7.559 1.00 0.00 C ATOM 1452 CG1 VAL A 156 2.989 -11.392 -8.371 1.00 0.00 C ATOM 1453 CG2 VAL A 156 1.238 -12.644 -7.082 1.00 0.00 C ATOM 0 H VAL A 156 2.620 -8.868 -7.684 1.00 0.00 H new ATOM 0 HA VAL A 156 1.005 -10.364 -5.743 1.00 0.00 H new ATOM 0 HB VAL A 156 0.935 -10.869 -8.210 1.00 0.00 H new ATOM 0 HG11 VAL A 156 2.833 -12.077 -9.204 1.00 0.00 H new ATOM 0 HG12 VAL A 156 3.264 -10.410 -8.755 1.00 0.00 H new ATOM 0 HG13 VAL A 156 3.790 -11.770 -7.736 1.00 0.00 H new ATOM 0 HG21 VAL A 156 1.114 -13.306 -7.939 1.00 0.00 H new ATOM 0 HG22 VAL A 156 1.978 -13.066 -6.402 1.00 0.00 H new ATOM 0 HG23 VAL A 156 0.285 -12.540 -6.563 1.00 0.00 H new ATOM 1463 N VAL A 157 3.977 -9.790 -5.249 1.00 0.00 N ATOM 1464 CA VAL A 157 5.138 -10.056 -4.418 1.00 0.00 C ATOM 1465 C VAL A 157 4.728 -10.057 -2.951 1.00 0.00 C ATOM 1466 O VAL A 157 5.203 -10.867 -2.156 1.00 0.00 O ATOM 1467 CB VAL A 157 6.248 -9.008 -4.635 1.00 0.00 C ATOM 1468 CG1 VAL A 157 7.478 -9.347 -3.806 1.00 0.00 C ATOM 1469 CG2 VAL A 157 6.602 -8.906 -6.112 1.00 0.00 C ATOM 0 H VAL A 157 3.916 -8.833 -5.597 1.00 0.00 H new ATOM 0 HA VAL A 157 5.533 -11.032 -4.701 1.00 0.00 H new ATOM 0 HB VAL A 157 5.875 -8.038 -4.305 1.00 0.00 H new ATOM 0 HG11 VAL A 157 8.249 -8.595 -3.974 1.00 0.00 H new ATOM 0 HG12 VAL A 157 7.211 -9.363 -2.749 1.00 0.00 H new ATOM 0 HG13 VAL A 157 7.856 -10.326 -4.100 1.00 0.00 H new ATOM 0 HG21 VAL A 157 7.387 -8.162 -6.247 1.00 0.00 H new ATOM 0 HG22 VAL A 157 6.954 -9.874 -6.470 1.00 0.00 H new ATOM 0 HG23 VAL A 157 5.719 -8.609 -6.678 1.00 0.00 H new ATOM 1479 N LEU A 158 3.820 -9.145 -2.611 1.00 0.00 N ATOM 1480 CA LEU A 158 3.306 -9.031 -1.256 1.00 0.00 C ATOM 1481 C LEU A 158 1.856 -9.497 -1.238 1.00 0.00 C ATOM 1482 O LEU A 158 1.249 -9.672 -2.294 1.00 0.00 O ATOM 1483 CB LEU A 158 3.385 -7.578 -0.764 1.00 0.00 C ATOM 1484 CG LEU A 158 4.791 -6.971 -0.649 1.00 0.00 C ATOM 1485 CD1 LEU A 158 5.516 -7.506 0.577 1.00 0.00 C ATOM 1486 CD2 LEU A 158 5.605 -7.230 -1.908 1.00 0.00 C ATOM 0 H LEU A 158 3.424 -8.470 -3.265 1.00 0.00 H new ATOM 0 HA LEU A 158 3.910 -9.651 -0.594 1.00 0.00 H new ATOM 0 HB2 LEU A 158 2.799 -6.956 -1.440 1.00 0.00 H new ATOM 0 HB3 LEU A 158 2.908 -7.522 0.214 1.00 0.00 H new ATOM 0 HG LEU A 158 4.678 -5.893 -0.535 1.00 0.00 H new ATOM 0 HD11 LEU A 158 6.509 -7.061 0.636 1.00 0.00 H new ATOM 0 HD12 LEU A 158 4.951 -7.252 1.474 1.00 0.00 H new ATOM 0 HD13 LEU A 158 5.608 -8.589 0.501 1.00 0.00 H new ATOM 0 HD21 LEU A 158 6.596 -6.789 -1.798 1.00 0.00 H new ATOM 0 HD22 LEU A 158 5.701 -8.304 -2.064 1.00 0.00 H new ATOM 0 HD23 LEU A 158 5.102 -6.782 -2.765 1.00 0.00 H new ATOM 1498 N GLU A 159 1.290 -9.679 -0.053 1.00 0.00 N ATOM 1499 CA GLU A 159 -0.102 -10.103 0.044 1.00 0.00 C ATOM 1500 C GLU A 159 -0.989 -8.891 0.283 1.00 0.00 C ATOM 1501 O GLU A 159 -0.951 -8.282 1.345 1.00 0.00 O ATOM 1502 CB GLU A 159 -0.302 -11.135 1.163 1.00 0.00 C ATOM 1503 CG GLU A 159 0.987 -11.672 1.762 1.00 0.00 C ATOM 1504 CD GLU A 159 1.863 -12.366 0.737 1.00 0.00 C ATOM 1505 OE1 GLU A 159 1.502 -13.481 0.305 1.00 0.00 O1- ATOM 1506 OE2 GLU A 159 2.911 -11.796 0.366 1.00 0.00 O ATOM 0 H GLU A 159 1.762 -9.543 0.841 1.00 0.00 H new ATOM 0 HA GLU A 159 -0.379 -10.580 -0.896 1.00 0.00 H new ATOM 0 HB2 GLU A 159 -0.895 -10.681 1.957 1.00 0.00 H new ATOM 0 HB3 GLU A 159 -0.881 -11.971 0.770 1.00 0.00 H new ATOM 0 HG2 GLU A 159 1.543 -10.850 2.213 1.00 0.00 H new ATOM 0 HG3 GLU A 159 0.747 -12.372 2.563 1.00 0.00 H new ATOM 1513 N LEU A 160 -1.779 -8.541 -0.718 1.00 0.00 N ATOM 1514 CA LEU A 160 -2.669 -7.393 -0.632 1.00 0.00 C ATOM 1515 C LEU A 160 -4.034 -7.805 -0.105 1.00 0.00 C ATOM 1516 O LEU A 160 -4.507 -8.899 -0.416 1.00 0.00 O ATOM 1517 CB LEU A 160 -2.844 -6.788 -2.027 1.00 0.00 C ATOM 1518 CG LEU A 160 -1.844 -5.711 -2.443 1.00 0.00 C ATOM 1519 CD1 LEU A 160 -2.482 -4.328 -2.386 1.00 0.00 C ATOM 1520 CD2 LEU A 160 -0.576 -5.786 -1.600 1.00 0.00 C ATOM 0 H LEU A 160 -1.823 -9.039 -1.607 1.00 0.00 H new ATOM 0 HA LEU A 160 -2.230 -6.665 0.051 1.00 0.00 H new ATOM 0 HB2 LEU A 160 -2.795 -7.597 -2.756 1.00 0.00 H new ATOM 0 HB3 LEU A 160 -3.846 -6.363 -2.089 1.00 0.00 H new ATOM 0 HG LEU A 160 -1.554 -5.895 -3.478 1.00 0.00 H new ATOM 0 HD11 LEU A 160 -1.751 -3.577 -2.686 1.00 0.00 H new ATOM 0 HD12 LEU A 160 -3.336 -4.293 -3.062 1.00 0.00 H new ATOM 0 HD13 LEU A 160 -2.816 -4.123 -1.369 1.00 0.00 H new ATOM 0 HD21 LEU A 160 0.118 -5.008 -1.917 1.00 0.00 H new ATOM 0 HD22 LEU A 160 -0.828 -5.641 -0.550 1.00 0.00 H new ATOM 0 HD23 LEU A 160 -0.110 -6.763 -1.729 1.00 0.00 H new ATOM 1532 N ASN A 161 -4.706 -6.928 0.649 1.00 0.00 N ATOM 1533 CA ASN A 161 -6.046 -7.286 1.116 1.00 0.00 C ATOM 1534 C ASN A 161 -6.887 -7.428 -0.120 1.00 0.00 C ATOM 1535 O ASN A 161 -6.549 -6.787 -1.112 1.00 0.00 O ATOM 1536 CB ASN A 161 -6.659 -6.233 2.042 1.00 0.00 C ATOM 1537 CG ASN A 161 -8.121 -6.507 2.346 1.00 0.00 C ATOM 1538 OD1 ASN A 161 -9.012 -6.040 1.638 1.00 0.00 O ATOM 1539 ND2 ASN A 161 -8.371 -7.268 3.405 1.00 0.00 N ATOM 0 H ASN A 161 -4.365 -6.011 0.937 1.00 0.00 H new ATOM 0 HA ASN A 161 -5.997 -8.203 1.703 1.00 0.00 H new ATOM 0 HB2 ASN A 161 -6.097 -6.203 2.975 1.00 0.00 H new ATOM 0 HB3 ASN A 161 -6.565 -5.250 1.581 1.00 0.00 H new ATOM 0 HD21 ASN A 161 -9.334 -7.487 3.660 1.00 0.00 H new ATOM 0 HD22 ASN A 161 -7.600 -7.634 3.964 1.00 0.00 H new ATOM 1546 N GLU A 162 -7.943 -8.259 -0.011 1.00 0.00 N ATOM 1547 CA GLU A 162 -8.875 -8.631 -1.098 1.00 0.00 C ATOM 1548 C GLU A 162 -9.199 -7.544 -2.113 1.00 0.00 C ATOM 1549 O GLU A 162 -9.057 -7.775 -3.314 1.00 0.00 O ATOM 1550 CB GLU A 162 -10.178 -9.161 -0.496 1.00 0.00 C ATOM 1551 CG GLU A 162 -11.019 -8.095 0.188 1.00 0.00 C ATOM 1552 CD GLU A 162 -12.219 -8.675 0.912 1.00 0.00 C ATOM 1553 OE1 GLU A 162 -12.062 -9.719 1.577 1.00 0.00 O1- ATOM 1554 OE2 GLU A 162 -13.314 -8.084 0.812 1.00 0.00 O ATOM 0 H GLU A 162 -8.181 -8.709 0.873 1.00 0.00 H new ATOM 0 HA GLU A 162 -8.341 -9.393 -1.666 1.00 0.00 H new ATOM 0 HB2 GLU A 162 -10.769 -9.625 -1.285 1.00 0.00 H new ATOM 0 HB3 GLU A 162 -9.942 -9.942 0.226 1.00 0.00 H new ATOM 0 HG2 GLU A 162 -10.399 -7.549 0.899 1.00 0.00 H new ATOM 0 HG3 GLU A 162 -11.361 -7.375 -0.555 1.00 0.00 H new ATOM 1561 N ASP A 163 -9.599 -6.373 -1.674 1.00 0.00 N ATOM 1562 CA ASP A 163 -9.888 -5.307 -2.621 1.00 0.00 C ATOM 1563 C ASP A 163 -8.583 -4.615 -2.933 1.00 0.00 C ATOM 1564 O ASP A 163 -8.542 -3.417 -3.216 1.00 0.00 O ATOM 1565 CB ASP A 163 -10.901 -4.317 -2.040 1.00 0.00 C ATOM 1566 CG ASP A 163 -12.288 -4.500 -2.624 1.00 0.00 C ATOM 1567 OD1 ASP A 163 -12.389 -4.917 -3.797 1.00 0.00 O1- ATOM 1568 OD2 ASP A 163 -13.275 -4.226 -1.908 1.00 0.00 O ATOM 0 H ASP A 163 -9.731 -6.132 -0.692 1.00 0.00 H new ATOM 0 HA ASP A 163 -10.330 -5.717 -3.529 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -10.946 -4.440 -0.958 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -10.561 -3.299 -2.231 1.00 0.00 H new ATOM 1573 N HIS A 164 -7.503 -5.390 -2.796 1.00 0.00 N ATOM 1574 CA HIS A 164 -6.160 -4.899 -2.965 1.00 0.00 C ATOM 1575 C HIS A 164 -6.054 -3.556 -2.299 1.00 0.00 C ATOM 1576 O HIS A 164 -5.319 -2.663 -2.721 1.00 0.00 O ATOM 1577 CB HIS A 164 -5.742 -4.893 -4.424 1.00 0.00 C ATOM 1578 CG HIS A 164 -5.682 -6.284 -4.966 1.00 0.00 C ATOM 1579 ND1 HIS A 164 -5.517 -6.578 -6.302 1.00 0.00 N ATOM 1580 CD2 HIS A 164 -5.770 -7.478 -4.323 1.00 0.00 C ATOM 1581 CE1 HIS A 164 -5.506 -7.891 -6.461 1.00 0.00 C ATOM 1582 NE2 HIS A 164 -5.657 -8.458 -5.277 1.00 0.00 N ATOM 0 H HIS A 164 -7.552 -6.382 -2.563 1.00 0.00 H new ATOM 0 HA HIS A 164 -5.451 -5.571 -2.481 1.00 0.00 H new ATOM 0 HB2 HIS A 164 -6.448 -4.301 -5.007 1.00 0.00 H new ATOM 0 HB3 HIS A 164 -4.767 -4.416 -4.525 1.00 0.00 H new ATOM 0 HD2 HIS A 164 -5.904 -7.627 -3.262 1.00 0.00 H new ATOM 0 HE1 HIS A 164 -5.393 -8.412 -7.400 1.00 0.00 H new ATOM 0 HE2 HIS A 164 -5.685 -9.462 -5.101 1.00 0.00 H new ATOM 1591 N ARG A 165 -6.811 -3.464 -1.214 1.00 0.00 N ATOM 1592 CA ARG A 165 -6.854 -2.290 -0.400 1.00 0.00 C ATOM 1593 C ARG A 165 -5.787 -2.384 0.649 1.00 0.00 C ATOM 1594 O ARG A 165 -5.427 -1.374 1.254 1.00 0.00 O ATOM 1595 CB ARG A 165 -8.224 -2.115 0.263 1.00 0.00 C ATOM 1596 CG ARG A 165 -8.937 -3.419 0.582 1.00 0.00 C ATOM 1597 CD ARG A 165 -10.248 -3.173 1.309 1.00 0.00 C ATOM 1598 NE ARG A 165 -10.038 -2.694 2.673 1.00 0.00 N ATOM 1599 CZ ARG A 165 -10.999 -2.621 3.590 1.00 0.00 C ATOM 1600 NH1 ARG A 165 -12.238 -2.997 3.295 1.00 0.00 N1+ ATOM 1601 NH2 ARG A 165 -10.722 -2.173 4.807 1.00 0.00 N ATOM 0 H ARG A 165 -7.413 -4.218 -0.884 1.00 0.00 H new ATOM 0 HA ARG A 165 -6.682 -1.421 -1.035 1.00 0.00 H new ATOM 0 HB2 ARG A 165 -8.098 -1.548 1.186 1.00 0.00 H new ATOM 0 HB3 ARG A 165 -8.858 -1.519 -0.393 1.00 0.00 H new ATOM 0 HG2 ARG A 165 -9.129 -3.965 -0.341 1.00 0.00 H new ATOM 0 HG3 ARG A 165 -8.292 -4.047 1.196 1.00 0.00 H new ATOM 0 HD2 ARG A 165 -10.838 -2.442 0.755 1.00 0.00 H new ATOM 0 HD3 ARG A 165 -10.827 -4.096 1.334 1.00 0.00 H new ATOM 0 HE ARG A 165 -9.099 -2.398 2.938 1.00 0.00 H new ATOM 0 HH11 ARG A 165 -12.457 -3.344 2.361 1.00 0.00 H new ATOM 0 HH12 ARG A 165 -12.971 -2.939 4.002 1.00 0.00 H new ATOM 0 HH21 ARG A 165 -9.772 -1.884 5.040 1.00 0.00 H new ATOM 0 HH22 ARG A 165 -11.459 -2.117 5.510 1.00 0.00 H new ATOM 1615 N LYS A 166 -5.249 -3.592 0.879 1.00 0.00 N ATOM 1616 CA LYS A 166 -4.194 -3.677 1.895 1.00 0.00 C ATOM 1617 C LYS A 166 -2.970 -4.394 1.382 1.00 0.00 C ATOM 1618 O LYS A 166 -2.942 -4.863 0.249 1.00 0.00 O ATOM 1619 CB LYS A 166 -4.689 -4.332 3.185 1.00 0.00 C ATOM 1620 CG LYS A 166 -6.068 -3.859 3.627 1.00 0.00 C ATOM 1621 CD LYS A 166 -5.976 -2.817 4.732 1.00 0.00 C ATOM 1622 CE LYS A 166 -6.902 -3.149 5.892 1.00 0.00 C ATOM 1623 NZ LYS A 166 -6.834 -2.123 6.969 1.00 0.00 N1+ ATOM 0 H LYS A 166 -5.503 -4.463 0.413 1.00 0.00 H new ATOM 0 HA LYS A 166 -3.913 -2.649 2.125 1.00 0.00 H new ATOM 0 HB2 LYS A 166 -4.714 -5.413 3.046 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -3.973 -4.129 3.982 1.00 0.00 H new ATOM 0 HG2 LYS A 166 -6.600 -3.439 2.773 1.00 0.00 H new ATOM 0 HG3 LYS A 166 -6.650 -4.711 3.977 1.00 0.00 H new ATOM 0 HD2 LYS A 166 -4.949 -2.756 5.091 1.00 0.00 H new ATOM 0 HD3 LYS A 166 -6.232 -1.836 4.331 1.00 0.00 H new ATOM 0 HE2 LYS A 166 -7.927 -3.226 5.528 1.00 0.00 H new ATOM 0 HE3 LYS A 166 -6.636 -4.123 6.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 -7.480 -2.386 7.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 -5.862 -2.067 7.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 -7.113 -1.198 6.585 1.00 0.00 H new ATOM 1637 N VAL A 167 -1.959 -4.471 2.231 1.00 0.00 N ATOM 1638 CA VAL A 167 -0.723 -5.135 1.877 1.00 0.00 C ATOM 1639 C VAL A 167 -0.048 -5.704 3.111 1.00 0.00 C ATOM 1640 O VAL A 167 0.667 -5.015 3.833 1.00 0.00 O ATOM 1641 CB VAL A 167 0.234 -4.197 1.115 1.00 0.00 C ATOM 1642 CG1 VAL A 167 0.442 -2.890 1.868 1.00 0.00 C ATOM 1643 CG2 VAL A 167 1.567 -4.881 0.842 1.00 0.00 C ATOM 0 H VAL A 167 -1.974 -4.079 3.173 1.00 0.00 H new ATOM 0 HA VAL A 167 -0.974 -5.958 1.207 1.00 0.00 H new ATOM 0 HB VAL A 167 -0.229 -3.961 0.157 1.00 0.00 H new ATOM 0 HG11 VAL A 167 1.122 -2.250 1.305 1.00 0.00 H new ATOM 0 HG12 VAL A 167 -0.516 -2.384 1.990 1.00 0.00 H new ATOM 0 HG13 VAL A 167 0.869 -3.099 2.849 1.00 0.00 H new ATOM 0 HG21 VAL A 167 2.223 -4.197 0.303 1.00 0.00 H new ATOM 0 HG22 VAL A 167 2.032 -5.162 1.787 1.00 0.00 H new ATOM 0 HG23 VAL A 167 1.401 -5.774 0.240 1.00 0.00 H new ATOM 1653 N ARG A 168 -0.295 -6.980 3.339 1.00 0.00 N ATOM 1654 CA ARG A 168 0.278 -7.677 4.485 1.00 0.00 C ATOM 1655 C ARG A 168 1.440 -8.560 4.049 1.00 0.00 C ATOM 1656 O ARG A 168 1.557 -8.911 2.877 1.00 0.00 O ATOM 1657 CB ARG A 168 -0.787 -8.528 5.181 1.00 0.00 C ATOM 1658 CG ARG A 168 -1.439 -9.554 4.269 1.00 0.00 C ATOM 1659 CD ARG A 168 -1.044 -10.975 4.643 1.00 0.00 C ATOM 1660 NE ARG A 168 -2.177 -11.741 5.156 1.00 0.00 N ATOM 1661 CZ ARG A 168 -2.211 -13.071 5.208 1.00 0.00 C ATOM 1662 NH1 ARG A 168 -1.178 -13.786 4.781 1.00 0.00 N1+ ATOM 1663 NH2 ARG A 168 -3.283 -13.688 5.687 1.00 0.00 N ATOM 0 H ARG A 168 -0.889 -7.560 2.747 1.00 0.00 H new ATOM 0 HA ARG A 168 0.648 -6.929 5.186 1.00 0.00 H new ATOM 0 HB2 ARG A 168 -0.332 -9.043 6.027 1.00 0.00 H new ATOM 0 HB3 ARG A 168 -1.558 -7.871 5.585 1.00 0.00 H new ATOM 0 HG2 ARG A 168 -2.523 -9.452 4.323 1.00 0.00 H new ATOM 0 HG3 ARG A 168 -1.152 -9.357 3.236 1.00 0.00 H new ATOM 0 HD2 ARG A 168 -0.632 -11.479 3.769 1.00 0.00 H new ATOM 0 HD3 ARG A 168 -0.256 -10.946 5.395 1.00 0.00 H new ATOM 0 HE ARG A 168 -2.990 -11.227 5.494 1.00 0.00 H new ATOM 0 HH11 ARG A 168 -0.352 -13.317 4.410 1.00 0.00 H new ATOM 0 HH12 ARG A 168 -1.210 -14.805 4.824 1.00 0.00 H new ATOM 0 HH21 ARG A 168 -4.081 -13.144 6.015 1.00 0.00 H new ATOM 0 HH22 ARG A 168 -3.310 -14.707 5.727 1.00 0.00 H new ATOM 1677 N ARG A 169 2.304 -8.909 4.997 1.00 0.00 N ATOM 1678 CA ARG A 169 3.461 -9.749 4.706 1.00 0.00 C ATOM 1679 C ARG A 169 3.268 -11.155 5.267 1.00 0.00 C ATOM 1680 O ARG A 169 2.482 -11.364 6.191 1.00 0.00 O ATOM 1681 CB ARG A 169 4.735 -9.129 5.284 1.00 0.00 C ATOM 1682 CG ARG A 169 4.827 -7.625 5.082 1.00 0.00 C ATOM 1683 CD ARG A 169 4.364 -6.865 6.315 1.00 0.00 C ATOM 1684 NE ARG A 169 5.412 -6.777 7.331 1.00 0.00 N ATOM 1685 CZ ARG A 169 5.498 -7.583 8.389 1.00 0.00 C ATOM 1686 NH1 ARG A 169 4.600 -8.542 8.586 1.00 0.00 N1+ ATOM 1687 NH2 ARG A 169 6.488 -7.428 9.258 1.00 0.00 N ATOM 0 H ARG A 169 2.225 -8.623 5.973 1.00 0.00 H new ATOM 0 HA ARG A 169 3.561 -9.817 3.623 1.00 0.00 H new ATOM 0 HB2 ARG A 169 4.783 -9.347 6.351 1.00 0.00 H new ATOM 0 HB3 ARG A 169 5.601 -9.603 4.822 1.00 0.00 H new ATOM 0 HG2 ARG A 169 5.856 -7.351 4.850 1.00 0.00 H new ATOM 0 HG3 ARG A 169 4.219 -7.335 4.225 1.00 0.00 H new ATOM 0 HD2 ARG A 169 4.054 -5.861 6.026 1.00 0.00 H new ATOM 0 HD3 ARG A 169 3.490 -7.359 6.738 1.00 0.00 H new ATOM 0 HE ARG A 169 6.122 -6.053 7.223 1.00 0.00 H new ATOM 0 HH11 ARG A 169 3.834 -8.668 7.924 1.00 0.00 H new ATOM 0 HH12 ARG A 169 4.676 -9.153 9.399 1.00 0.00 H new ATOM 0 HH21 ARG A 169 7.181 -6.693 9.116 1.00 0.00 H new ATOM 0 HH22 ARG A 169 6.556 -8.043 10.069 1.00 0.00 H new ATOM 1701 N THR A 170 3.994 -12.113 4.702 1.00 0.00 N ATOM 1702 CA THR A 170 3.911 -13.499 5.145 1.00 0.00 C ATOM 1703 C THR A 170 5.270 -14.001 5.615 1.00 0.00 C ATOM 1704 O THR A 170 5.364 -14.756 6.584 1.00 0.00 O ATOM 1705 CB THR A 170 3.397 -14.386 4.010 1.00 0.00 C ATOM 1706 OG1 THR A 170 4.105 -14.129 2.812 1.00 0.00 O ATOM 1707 CG2 THR A 170 1.925 -14.195 3.724 1.00 0.00 C ATOM 0 H THR A 170 4.648 -11.954 3.935 1.00 0.00 H new ATOM 0 HA THR A 170 3.215 -13.546 5.982 1.00 0.00 H new ATOM 0 HB THR A 170 3.555 -15.410 4.349 1.00 0.00 H new ATOM 0 HG1 THR A 170 3.762 -14.708 2.099 1.00 0.00 H new ATOM 0 HG21 THR A 170 1.624 -14.853 2.909 1.00 0.00 H new ATOM 0 HG22 THR A 170 1.347 -14.435 4.616 1.00 0.00 H new ATOM 0 HG23 THR A 170 1.741 -13.159 3.440 1.00 0.00 H new ATOM 1715 N THR A 171 6.321 -13.582 4.919 1.00 0.00 N ATOM 1716 CA THR A 171 7.678 -13.992 5.259 1.00 0.00 C ATOM 1717 C THR A 171 8.517 -12.801 5.723 1.00 0.00 C ATOM 1718 O THR A 171 9.475 -12.410 5.057 1.00 0.00 O ATOM 1719 CB THR A 171 8.341 -14.656 4.053 1.00 0.00 C ATOM 1720 OG1 THR A 171 9.693 -14.972 4.333 1.00 0.00 O ATOM 1721 CG2 THR A 171 8.319 -13.791 2.811 1.00 0.00 C ATOM 0 H THR A 171 6.259 -12.958 4.115 1.00 0.00 H new ATOM 0 HA THR A 171 7.619 -14.706 6.080 1.00 0.00 H new ATOM 0 HB THR A 171 7.758 -15.557 3.861 1.00 0.00 H new ATOM 0 HG1 THR A 171 10.198 -14.146 4.484 1.00 0.00 H new ATOM 0 HG21 THR A 171 8.805 -14.320 1.991 1.00 0.00 H new ATOM 0 HG22 THR A 171 7.287 -13.570 2.539 1.00 0.00 H new ATOM 0 HG23 THR A 171 8.850 -12.859 3.007 1.00 0.00 H new ATOM 1729 N PRO A 172 8.174 -12.212 6.881 1.00 0.00 N ATOM 1730 CA PRO A 172 8.909 -11.068 7.430 1.00 0.00 C ATOM 1731 C PRO A 172 10.280 -11.477 7.958 1.00 0.00 C ATOM 1732 O PRO A 172 10.467 -12.608 8.408 1.00 0.00 O ATOM 1733 CB PRO A 172 8.015 -10.588 8.574 1.00 0.00 C ATOM 1734 CG PRO A 172 7.260 -11.800 8.996 1.00 0.00 C ATOM 1735 CD PRO A 172 7.049 -12.615 7.748 1.00 0.00 C ATOM 0 HA PRO A 172 9.104 -10.302 6.679 1.00 0.00 H new ATOM 0 HB2 PRO A 172 8.606 -10.183 9.396 1.00 0.00 H new ATOM 0 HB3 PRO A 172 7.342 -9.796 8.245 1.00 0.00 H new ATOM 0 HG2 PRO A 172 7.817 -12.366 9.742 1.00 0.00 H new ATOM 0 HG3 PRO A 172 6.307 -11.527 9.449 1.00 0.00 H new ATOM 0 HD2 PRO A 172 7.067 -13.684 7.959 1.00 0.00 H new ATOM 0 HD3 PRO A 172 6.087 -12.398 7.284 1.00 0.00 H new