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 150 HIS : no HD1:sc= -0.124 X(o=-0.12,f=-0.16) USER MOD Set 1.2: A 154 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 134 SER OG : rot 101:sc= -1.17 USER MOD Set 2.2: A 139 LYS NZ :NH3+ -122:sc= 0.886 (180deg=0.37) 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= -2.38 K(o=-2.4,f=-5.9!) USER MOD Single : A 103 TYR OH : rot 180:sc= -0.312 USER MOD Single : A 105 SER OG : rot 45:sc= 0.361 USER MOD Single : A 108 ASN : amide:sc= -2.5 K(o=-2.5,f=-4.3!) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0.104 USER MOD Single : A 130 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.281) USER MOD Single : A 133 THR OG1 : rot 96:sc= 0.967 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 LYS NZ :NH3+ -164:sc=-0.00577 (180deg=-0.121) USER MOD Single : A 140 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 142 THR OG1 : rot -67:sc= 0.0503! USER MOD Single : A 147 THR OG1 : rot -54:sc= -3.35! USER MOD Single : A 148 THR OG1 : rot 50:sc= -0.784 USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 SER OG : rot 100:sc= -3.86! USER MOD Single : A 161 ASN : amide:sc= -3.24! C(o=-3.2!,f=-4.5!) USER MOD Single : A 164 HIS : no HD1:sc= -1.01 K(o=-1,f=-3.9) USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 170 THR OG1 : rot 180:sc= 0 USER MOD Single : A 171 THR OG1 : rot -60:sc= 0.325 USER MOD ----------------------------------------------------------------- ATOM 257 N PRO A 87 -6.564 3.392 -15.953 1.00 0.00 N ATOM 258 CA PRO A 87 -5.473 2.476 -15.597 1.00 0.00 C ATOM 259 C PRO A 87 -4.099 3.026 -15.986 1.00 0.00 C ATOM 260 O PRO A 87 -3.933 3.595 -17.064 1.00 0.00 O ATOM 261 CB PRO A 87 -5.781 1.205 -16.402 1.00 0.00 C ATOM 262 CG PRO A 87 -7.212 1.331 -16.805 1.00 0.00 C ATOM 263 CD PRO A 87 -7.471 2.802 -16.949 1.00 0.00 C ATOM 0 HA PRO A 87 -5.425 2.312 -14.520 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -5.132 1.125 -17.274 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -5.619 0.310 -15.801 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -7.401 0.808 -17.742 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -7.869 0.890 -16.055 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -7.250 3.155 -17.956 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -8.512 3.051 -16.745 1.00 0.00 H new ATOM 271 N PRO A 88 -3.091 2.861 -15.108 1.00 0.00 N ATOM 272 CA PRO A 88 -1.733 3.338 -15.360 1.00 0.00 C ATOM 273 C PRO A 88 -0.901 2.326 -16.147 1.00 0.00 C ATOM 274 O PRO A 88 -1.445 1.412 -16.767 1.00 0.00 O ATOM 275 CB PRO A 88 -1.182 3.507 -13.948 1.00 0.00 C ATOM 276 CG PRO A 88 -1.844 2.428 -13.159 1.00 0.00 C ATOM 277 CD PRO A 88 -3.194 2.193 -13.795 1.00 0.00 C ATOM 0 HA PRO A 88 -1.709 4.246 -15.963 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -0.097 3.404 -13.930 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -1.415 4.493 -13.546 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -1.246 1.517 -13.172 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -1.954 2.723 -12.115 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -3.404 1.129 -13.904 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -3.998 2.617 -13.193 1.00 0.00 H new ATOM 285 N ASP A 89 0.420 2.488 -16.111 1.00 0.00 N ATOM 286 CA ASP A 89 1.318 1.593 -16.805 1.00 0.00 C ATOM 287 C ASP A 89 2.158 0.815 -15.806 1.00 0.00 C ATOM 288 O ASP A 89 2.554 1.343 -14.768 1.00 0.00 O ATOM 289 CB ASP A 89 2.221 2.374 -17.761 1.00 0.00 C ATOM 290 CG ASP A 89 1.442 3.049 -18.873 1.00 0.00 C ATOM 291 OD1 ASP A 89 1.247 2.416 -19.930 1.00 0.00 O ATOM 292 OD2 ASP A 89 1.027 4.212 -18.684 1.00 0.00 O1- ATOM 0 H ASP A 89 0.886 3.239 -15.602 1.00 0.00 H new ATOM 0 HA ASP A 89 0.724 0.890 -17.388 1.00 0.00 H new ATOM 0 HB2 ASP A 89 2.774 3.127 -17.200 1.00 0.00 H new ATOM 0 HB3 ASP A 89 2.956 1.697 -18.196 1.00 0.00 H new ATOM 297 N GLU A 90 2.427 -0.442 -16.126 1.00 0.00 N ATOM 298 CA GLU A 90 3.217 -1.298 -15.262 1.00 0.00 C ATOM 299 C GLU A 90 4.556 -0.654 -14.915 1.00 0.00 C ATOM 300 O GLU A 90 5.203 -1.039 -13.940 1.00 0.00 O ATOM 301 CB GLU A 90 3.452 -2.644 -15.935 1.00 0.00 C ATOM 302 CG GLU A 90 3.767 -2.546 -17.420 1.00 0.00 C ATOM 303 CD GLU A 90 2.700 -3.184 -18.288 1.00 0.00 C ATOM 304 OE1 GLU A 90 2.629 -4.430 -18.321 1.00 0.00 O ATOM 305 OE2 GLU A 90 1.936 -2.438 -18.934 1.00 0.00 O1- ATOM 0 H GLU A 90 2.106 -0.891 -16.984 1.00 0.00 H new ATOM 0 HA GLU A 90 2.660 -1.445 -14.336 1.00 0.00 H new ATOM 0 HB2 GLU A 90 4.275 -3.151 -15.432 1.00 0.00 H new ATOM 0 HB3 GLU A 90 2.566 -3.265 -15.802 1.00 0.00 H new ATOM 0 HG2 GLU A 90 3.875 -1.497 -17.696 1.00 0.00 H new ATOM 0 HG3 GLU A 90 4.725 -3.027 -17.617 1.00 0.00 H new ATOM 312 N GLU A 91 4.967 0.332 -15.708 1.00 0.00 N ATOM 313 CA GLU A 91 6.225 1.025 -15.463 1.00 0.00 C ATOM 314 C GLU A 91 6.226 1.628 -14.067 1.00 0.00 C ATOM 315 O GLU A 91 7.139 1.399 -13.270 1.00 0.00 O ATOM 316 CB GLU A 91 6.435 2.127 -16.502 1.00 0.00 C ATOM 317 CG GLU A 91 6.360 1.634 -17.938 1.00 0.00 C ATOM 318 CD GLU A 91 5.865 2.700 -18.896 1.00 0.00 C ATOM 319 OE1 GLU A 91 4.652 2.997 -18.878 1.00 0.00 O1- ATOM 320 OE2 GLU A 91 6.690 3.238 -19.663 1.00 0.00 O ATOM 0 H GLU A 91 4.449 0.666 -16.521 1.00 0.00 H new ATOM 0 HA GLU A 91 7.039 0.305 -15.542 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.683 2.902 -16.353 1.00 0.00 H new ATOM 0 HB3 GLU A 91 7.408 2.590 -16.336 1.00 0.00 H new ATOM 0 HG2 GLU A 91 7.347 1.297 -18.254 1.00 0.00 H new ATOM 0 HG3 GLU A 91 5.697 0.770 -17.987 1.00 0.00 H new ATOM 327 N LEU A 92 5.183 2.392 -13.779 1.00 0.00 N ATOM 328 CA LEU A 92 5.040 3.030 -12.482 1.00 0.00 C ATOM 329 C LEU A 92 4.590 2.022 -11.429 1.00 0.00 C ATOM 330 O LEU A 92 4.805 2.225 -10.234 1.00 0.00 O ATOM 331 CB LEU A 92 4.044 4.184 -12.574 1.00 0.00 C ATOM 332 CG LEU A 92 4.064 5.166 -11.399 1.00 0.00 C ATOM 333 CD1 LEU A 92 3.405 4.551 -10.174 1.00 0.00 C ATOM 334 CD2 LEU A 92 5.491 5.595 -11.080 1.00 0.00 C ATOM 0 H LEU A 92 4.421 2.585 -14.430 1.00 0.00 H new ATOM 0 HA LEU A 92 6.011 3.424 -12.181 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.240 4.738 -13.492 1.00 0.00 H new ATOM 0 HB3 LEU A 92 3.040 3.769 -12.661 1.00 0.00 H new ATOM 0 HG LEU A 92 3.496 6.051 -11.686 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.430 5.265 -9.351 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.370 4.300 -10.405 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.942 3.647 -9.887 1.00 0.00 H new ATOM 0 HD21 LEU A 92 5.483 6.292 -10.242 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.084 4.719 -10.817 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.928 6.081 -11.952 1.00 0.00 H new ATOM 346 N ILE A 93 3.971 0.929 -11.874 1.00 0.00 N ATOM 347 CA ILE A 93 3.506 -0.100 -10.957 1.00 0.00 C ATOM 348 C ILE A 93 4.680 -0.826 -10.313 1.00 0.00 C ATOM 349 O ILE A 93 4.690 -1.062 -9.105 1.00 0.00 O ATOM 350 CB ILE A 93 2.603 -1.119 -11.676 1.00 0.00 C ATOM 351 CG1 ILE A 93 1.398 -0.405 -12.291 1.00 0.00 C ATOM 352 CG2 ILE A 93 2.151 -2.209 -10.716 1.00 0.00 C ATOM 353 CD1 ILE A 93 0.522 -1.308 -13.128 1.00 0.00 C ATOM 0 H ILE A 93 3.783 0.738 -12.858 1.00 0.00 H new ATOM 0 HA ILE A 93 2.925 0.397 -10.180 1.00 0.00 H new ATOM 0 HB ILE A 93 3.175 -1.592 -12.475 1.00 0.00 H new ATOM 0 HG12 ILE A 93 0.798 0.031 -11.492 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.752 0.420 -12.910 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.514 -2.918 -11.245 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.023 -2.730 -10.320 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.592 -1.761 -9.895 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -0.312 -0.734 -13.532 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.107 -1.724 -13.948 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.138 -2.119 -12.509 1.00 0.00 H new ATOM 365 N LYS A 94 5.672 -1.174 -11.125 1.00 0.00 N ATOM 366 CA LYS A 94 6.851 -1.867 -10.627 1.00 0.00 C ATOM 367 C LYS A 94 7.638 -0.966 -9.682 1.00 0.00 C ATOM 368 O LYS A 94 8.234 -1.436 -8.713 1.00 0.00 O ATOM 369 CB LYS A 94 7.739 -2.317 -11.788 1.00 0.00 C ATOM 370 CG LYS A 94 7.148 -3.460 -12.598 1.00 0.00 C ATOM 371 CD LYS A 94 8.127 -4.615 -12.736 1.00 0.00 C ATOM 372 CE LYS A 94 9.269 -4.268 -13.677 1.00 0.00 C ATOM 373 NZ LYS A 94 9.919 -5.486 -14.236 1.00 0.00 N1+ ATOM 0 H LYS A 94 5.682 -0.988 -12.128 1.00 0.00 H new ATOM 0 HA LYS A 94 6.524 -2.749 -10.077 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.917 -1.468 -12.449 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.708 -2.624 -11.395 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.235 -3.812 -12.118 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.869 -3.099 -13.588 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.528 -4.873 -11.756 1.00 0.00 H new ATOM 0 HD3 LYS A 94 7.603 -5.495 -13.108 1.00 0.00 H new ATOM 0 HE2 LYS A 94 8.892 -3.651 -14.493 1.00 0.00 H new ATOM 0 HE3 LYS A 94 10.011 -3.673 -13.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 10.692 -5.206 -14.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 10.301 -6.063 -13.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.218 -6.041 -14.767 1.00 0.00 H new ATOM 387 N LYS A 95 7.629 0.333 -9.965 1.00 0.00 N ATOM 388 CA LYS A 95 8.336 1.296 -9.129 1.00 0.00 C ATOM 389 C LYS A 95 7.737 1.324 -7.725 1.00 0.00 C ATOM 390 O LYS A 95 8.443 1.144 -6.732 1.00 0.00 O ATOM 391 CB LYS A 95 8.272 2.691 -9.753 1.00 0.00 C ATOM 392 CG LYS A 95 9.050 2.812 -11.054 1.00 0.00 C ATOM 393 CD LYS A 95 9.698 4.179 -11.191 1.00 0.00 C ATOM 394 CE LYS A 95 9.636 4.685 -12.623 1.00 0.00 C ATOM 395 NZ LYS A 95 10.879 5.404 -13.014 1.00 0.00 N1+ ATOM 0 H LYS A 95 7.142 0.741 -10.763 1.00 0.00 H new ATOM 0 HA LYS A 95 9.380 0.989 -9.059 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.229 2.950 -9.937 1.00 0.00 H new ATOM 0 HB3 LYS A 95 8.659 3.418 -9.039 1.00 0.00 H new ATOM 0 HG2 LYS A 95 9.817 2.039 -11.093 1.00 0.00 H new ATOM 0 HG3 LYS A 95 8.381 2.640 -11.897 1.00 0.00 H new ATOM 0 HD2 LYS A 95 9.197 4.888 -10.532 1.00 0.00 H new ATOM 0 HD3 LYS A 95 10.738 4.124 -10.868 1.00 0.00 H new ATOM 0 HE2 LYS A 95 9.476 3.844 -13.298 1.00 0.00 H new ATOM 0 HE3 LYS A 95 8.781 5.352 -12.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 10.795 5.732 -13.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 11.019 6.221 -12.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 11.692 4.761 -12.932 1.00 0.00 H new ATOM 409 N LEU A 96 6.426 1.545 -7.653 1.00 0.00 N ATOM 410 CA LEU A 96 5.724 1.592 -6.375 1.00 0.00 C ATOM 411 C LEU A 96 5.929 0.297 -5.594 1.00 0.00 C ATOM 412 O LEU A 96 6.439 0.308 -4.472 1.00 0.00 O ATOM 413 CB LEU A 96 4.229 1.830 -6.602 1.00 0.00 C ATOM 414 CG LEU A 96 3.727 3.203 -6.181 1.00 0.00 C ATOM 415 CD1 LEU A 96 2.642 3.695 -7.128 1.00 0.00 C ATOM 416 CD2 LEU A 96 3.215 3.162 -4.749 1.00 0.00 C ATOM 0 H LEU A 96 5.829 1.694 -8.466 1.00 0.00 H new ATOM 0 HA LEU A 96 6.135 2.417 -5.792 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.010 1.688 -7.660 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.668 1.071 -6.056 1.00 0.00 H new ATOM 0 HG LEU A 96 4.560 3.905 -6.230 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.298 4.678 -6.808 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.045 3.763 -8.139 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.805 2.997 -7.117 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.859 4.151 -4.461 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.396 2.446 -4.676 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.022 2.859 -4.082 1.00 0.00 H new ATOM 428 N VAL A 97 5.526 -0.818 -6.195 1.00 0.00 N ATOM 429 CA VAL A 97 5.662 -2.123 -5.559 1.00 0.00 C ATOM 430 C VAL A 97 7.078 -2.334 -5.035 1.00 0.00 C ATOM 431 O VAL A 97 7.278 -2.935 -3.980 1.00 0.00 O ATOM 432 CB VAL A 97 5.306 -3.261 -6.534 1.00 0.00 C ATOM 433 CG1 VAL A 97 6.285 -3.302 -7.695 1.00 0.00 C ATOM 434 CG2 VAL A 97 5.274 -4.595 -5.805 1.00 0.00 C ATOM 0 H VAL A 97 5.102 -0.844 -7.122 1.00 0.00 H new ATOM 0 HA VAL A 97 4.964 -2.144 -4.722 1.00 0.00 H new ATOM 0 HB VAL A 97 4.312 -3.069 -6.939 1.00 0.00 H new ATOM 0 HG11 VAL A 97 6.014 -4.113 -8.371 1.00 0.00 H new ATOM 0 HG12 VAL A 97 6.251 -2.355 -8.233 1.00 0.00 H new ATOM 0 HG13 VAL A 97 7.293 -3.467 -7.315 1.00 0.00 H new ATOM 0 HG21 VAL A 97 5.021 -5.388 -6.509 1.00 0.00 H new ATOM 0 HG22 VAL A 97 6.253 -4.795 -5.369 1.00 0.00 H new ATOM 0 HG23 VAL A 97 4.525 -4.559 -5.014 1.00 0.00 H new ATOM 444 N ASP A 98 8.058 -1.827 -5.777 1.00 0.00 N ATOM 445 CA ASP A 98 9.455 -1.953 -5.384 1.00 0.00 C ATOM 446 C ASP A 98 9.693 -1.287 -4.034 1.00 0.00 C ATOM 447 O ASP A 98 10.572 -1.695 -3.275 1.00 0.00 O ATOM 448 CB ASP A 98 10.365 -1.329 -6.443 1.00 0.00 C ATOM 449 CG ASP A 98 11.818 -1.720 -6.259 1.00 0.00 C ATOM 450 OD1 ASP A 98 12.185 -2.133 -5.139 1.00 0.00 O1- ATOM 451 OD2 ASP A 98 12.590 -1.611 -7.235 1.00 0.00 O ATOM 0 H ASP A 98 7.909 -1.326 -6.653 1.00 0.00 H new ATOM 0 HA ASP A 98 9.692 -3.013 -5.297 1.00 0.00 H new ATOM 0 HB2 ASP A 98 10.031 -1.638 -7.433 1.00 0.00 H new ATOM 0 HB3 ASP A 98 10.276 -0.243 -6.401 1.00 0.00 H new ATOM 456 N GLN A 99 8.900 -0.260 -3.739 1.00 0.00 N ATOM 457 CA GLN A 99 9.023 0.459 -2.478 1.00 0.00 C ATOM 458 C GLN A 99 8.560 -0.413 -1.317 1.00 0.00 C ATOM 459 O GLN A 99 9.128 -0.362 -0.226 1.00 0.00 O ATOM 460 CB GLN A 99 8.209 1.756 -2.524 1.00 0.00 C ATOM 461 CG GLN A 99 9.043 3.004 -2.287 1.00 0.00 C ATOM 462 CD GLN A 99 8.990 3.477 -0.848 1.00 0.00 C ATOM 463 OE1 GLN A 99 8.736 4.651 -0.577 1.00 0.00 O ATOM 464 NE2 GLN A 99 9.230 2.563 0.085 1.00 0.00 N ATOM 0 H GLN A 99 8.167 0.091 -4.356 1.00 0.00 H new ATOM 0 HA GLN A 99 10.073 0.709 -2.325 1.00 0.00 H new ATOM 0 HB2 GLN A 99 7.720 1.834 -3.495 1.00 0.00 H new ATOM 0 HB3 GLN A 99 7.420 1.708 -1.773 1.00 0.00 H new ATOM 0 HG2 GLN A 99 10.078 2.802 -2.561 1.00 0.00 H new ATOM 0 HG3 GLN A 99 8.690 3.802 -2.941 1.00 0.00 H new ATOM 0 HE21 GLN A 99 9.436 1.601 -0.184 1.00 0.00 H new ATOM 0 HE22 GLN A 99 9.208 2.823 1.071 1.00 0.00 H new ATOM 473 N ILE A 100 7.525 -1.213 -1.558 1.00 0.00 N ATOM 474 CA ILE A 100 6.991 -2.094 -0.532 1.00 0.00 C ATOM 475 C ILE A 100 8.004 -3.151 -0.145 1.00 0.00 C ATOM 476 O ILE A 100 8.472 -3.199 0.994 1.00 0.00 O ATOM 477 CB ILE A 100 5.710 -2.808 -0.994 1.00 0.00 C ATOM 478 CG1 ILE A 100 4.848 -1.894 -1.867 1.00 0.00 C ATOM 479 CG2 ILE A 100 4.922 -3.279 0.211 1.00 0.00 C ATOM 480 CD1 ILE A 100 4.615 -0.533 -1.258 1.00 0.00 C ATOM 0 H ILE A 100 7.042 -1.267 -2.455 1.00 0.00 H new ATOM 0 HA ILE A 100 6.759 -1.460 0.324 1.00 0.00 H new ATOM 0 HB ILE A 100 5.997 -3.670 -1.597 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.328 -1.773 -2.838 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.886 -2.374 -2.045 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.015 -3.784 -0.122 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.529 -3.971 0.795 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.654 -2.422 0.828 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.997 0.064 -1.928 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.108 -0.645 -0.300 1.00 0.00 H new ATOM 0 HD13 ILE A 100 5.572 -0.034 -1.106 1.00 0.00 H new ATOM 492 N GLU A 101 8.352 -3.990 -1.109 1.00 0.00 N ATOM 493 CA GLU A 101 9.331 -5.050 -0.883 1.00 0.00 C ATOM 494 C GLU A 101 10.572 -4.486 -0.195 1.00 0.00 C ATOM 495 O GLU A 101 11.309 -5.204 0.480 1.00 0.00 O ATOM 496 CB GLU A 101 9.720 -5.710 -2.207 1.00 0.00 C ATOM 497 CG GLU A 101 10.668 -6.887 -2.046 1.00 0.00 C ATOM 498 CD GLU A 101 11.673 -6.986 -3.176 1.00 0.00 C ATOM 499 OE1 GLU A 101 11.379 -6.473 -4.277 1.00 0.00 O1- ATOM 500 OE2 GLU A 101 12.752 -7.575 -2.962 1.00 0.00 O ATOM 0 H GLU A 101 7.973 -3.960 -2.056 1.00 0.00 H new ATOM 0 HA GLU A 101 8.881 -5.803 -0.236 1.00 0.00 H new ATOM 0 HB2 GLU A 101 8.816 -6.049 -2.713 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.186 -4.965 -2.852 1.00 0.00 H new ATOM 0 HG2 GLU A 101 11.200 -6.793 -1.099 1.00 0.00 H new ATOM 0 HG3 GLU A 101 10.090 -7.810 -1.997 1.00 0.00 H new ATOM 507 N PHE A 102 10.777 -3.184 -0.360 1.00 0.00 N ATOM 508 CA PHE A 102 11.902 -2.490 0.249 1.00 0.00 C ATOM 509 C PHE A 102 11.545 -2.082 1.669 1.00 0.00 C ATOM 510 O PHE A 102 12.347 -2.198 2.594 1.00 0.00 O ATOM 511 CB PHE A 102 12.244 -1.252 -0.581 1.00 0.00 C ATOM 512 CG PHE A 102 13.081 -0.232 0.140 1.00 0.00 C ATOM 513 CD1 PHE A 102 12.496 0.656 1.031 1.00 0.00 C ATOM 514 CD2 PHE A 102 14.449 -0.157 -0.075 1.00 0.00 C ATOM 515 CE1 PHE A 102 13.261 1.598 1.693 1.00 0.00 C ATOM 516 CE2 PHE A 102 15.217 0.783 0.584 1.00 0.00 C ATOM 517 CZ PHE A 102 14.623 1.662 1.469 1.00 0.00 C ATOM 0 H PHE A 102 10.170 -2.583 -0.918 1.00 0.00 H new ATOM 0 HA PHE A 102 12.767 -3.153 0.279 1.00 0.00 H new ATOM 0 HB2 PHE A 102 12.773 -1.567 -1.481 1.00 0.00 H new ATOM 0 HB3 PHE A 102 11.317 -0.780 -0.905 1.00 0.00 H new ATOM 0 HD1 PHE A 102 11.432 0.611 1.209 1.00 0.00 H new ATOM 0 HD2 PHE A 102 14.919 -0.841 -0.766 1.00 0.00 H new ATOM 0 HE1 PHE A 102 12.794 2.284 2.385 1.00 0.00 H new ATOM 0 HE2 PHE A 102 16.281 0.831 0.408 1.00 0.00 H new ATOM 0 HZ PHE A 102 15.222 2.398 1.985 1.00 0.00 H new ATOM 527 N TYR A 103 10.325 -1.595 1.813 1.00 0.00 N ATOM 528 CA TYR A 103 9.809 -1.144 3.095 1.00 0.00 C ATOM 529 C TYR A 103 9.842 -2.266 4.129 1.00 0.00 C ATOM 530 O TYR A 103 10.418 -2.120 5.208 1.00 0.00 O ATOM 531 CB TYR A 103 8.376 -0.625 2.909 1.00 0.00 C ATOM 532 CG TYR A 103 7.317 -1.430 3.638 1.00 0.00 C ATOM 533 CD1 TYR A 103 7.133 -1.269 5.001 1.00 0.00 C ATOM 534 CD2 TYR A 103 6.507 -2.346 2.973 1.00 0.00 C ATOM 535 CE1 TYR A 103 6.178 -1.987 5.686 1.00 0.00 C ATOM 536 CE2 TYR A 103 5.546 -3.072 3.653 1.00 0.00 C ATOM 537 CZ TYR A 103 5.386 -2.888 5.010 1.00 0.00 C ATOM 538 OH TYR A 103 4.430 -3.607 5.691 1.00 0.00 O ATOM 0 H TYR A 103 9.662 -1.501 1.043 1.00 0.00 H new ATOM 0 HA TYR A 103 10.443 -0.338 3.466 1.00 0.00 H new ATOM 0 HB2 TYR A 103 8.330 0.408 3.253 1.00 0.00 H new ATOM 0 HB3 TYR A 103 8.141 -0.618 1.845 1.00 0.00 H new ATOM 0 HD1 TYR A 103 7.752 -0.565 5.538 1.00 0.00 H new ATOM 0 HD2 TYR A 103 6.631 -2.492 1.910 1.00 0.00 H new ATOM 0 HE1 TYR A 103 6.051 -1.844 6.749 1.00 0.00 H new ATOM 0 HE2 TYR A 103 4.924 -3.779 3.124 1.00 0.00 H new ATOM 0 HH TYR A 103 3.958 -4.197 5.067 1.00 0.00 H new ATOM 548 N PHE A 104 9.193 -3.376 3.798 1.00 0.00 N ATOM 549 CA PHE A 104 9.113 -4.519 4.702 1.00 0.00 C ATOM 550 C PHE A 104 10.440 -5.275 4.828 1.00 0.00 C ATOM 551 O PHE A 104 10.503 -6.306 5.498 1.00 0.00 O ATOM 552 CB PHE A 104 7.991 -5.469 4.257 1.00 0.00 C ATOM 553 CG PHE A 104 8.446 -6.598 3.371 1.00 0.00 C ATOM 554 CD1 PHE A 104 9.277 -6.360 2.288 1.00 0.00 C ATOM 555 CD2 PHE A 104 8.038 -7.899 3.625 1.00 0.00 C ATOM 556 CE1 PHE A 104 9.694 -7.397 1.476 1.00 0.00 C ATOM 557 CE2 PHE A 104 8.452 -8.940 2.815 1.00 0.00 C ATOM 558 CZ PHE A 104 9.281 -8.689 1.740 1.00 0.00 C ATOM 0 H PHE A 104 8.713 -3.510 2.908 1.00 0.00 H new ATOM 0 HA PHE A 104 8.885 -4.125 5.693 1.00 0.00 H new ATOM 0 HB2 PHE A 104 7.514 -5.888 5.143 1.00 0.00 H new ATOM 0 HB3 PHE A 104 7.232 -4.892 3.729 1.00 0.00 H new ATOM 0 HD1 PHE A 104 9.602 -5.352 2.076 1.00 0.00 H new ATOM 0 HD2 PHE A 104 7.390 -8.101 4.465 1.00 0.00 H new ATOM 0 HE1 PHE A 104 10.342 -7.198 0.635 1.00 0.00 H new ATOM 0 HE2 PHE A 104 8.127 -9.949 3.023 1.00 0.00 H new ATOM 0 HZ PHE A 104 9.606 -9.501 1.106 1.00 0.00 H new ATOM 568 N SER A 105 11.502 -4.769 4.206 1.00 0.00 N ATOM 569 CA SER A 105 12.802 -5.429 4.300 1.00 0.00 C ATOM 570 C SER A 105 13.232 -5.535 5.763 1.00 0.00 C ATOM 571 O SER A 105 13.064 -4.589 6.532 1.00 0.00 O ATOM 572 CB SER A 105 13.855 -4.660 3.500 1.00 0.00 C ATOM 573 OG SER A 105 13.805 -5.005 2.127 1.00 0.00 O ATOM 0 H SER A 105 11.491 -3.920 3.641 1.00 0.00 H new ATOM 0 HA SER A 105 12.712 -6.431 3.881 1.00 0.00 H new ATOM 0 HB2 SER A 105 13.692 -3.588 3.615 1.00 0.00 H new ATOM 0 HB3 SER A 105 14.847 -4.876 3.897 1.00 0.00 H new ATOM 0 HG SER A 105 12.872 -5.018 1.827 1.00 0.00 H new ATOM 579 N ASP A 106 13.774 -6.691 6.144 1.00 0.00 N ATOM 580 CA ASP A 106 14.217 -6.925 7.525 1.00 0.00 C ATOM 581 C ASP A 106 14.913 -5.697 8.114 1.00 0.00 C ATOM 582 O ASP A 106 14.455 -5.115 9.100 1.00 0.00 O ATOM 583 CB ASP A 106 15.172 -8.121 7.586 1.00 0.00 C ATOM 584 CG ASP A 106 16.043 -8.247 6.349 1.00 0.00 C ATOM 585 OD1 ASP A 106 15.485 -8.411 5.244 1.00 0.00 O1- ATOM 586 OD2 ASP A 106 17.283 -8.181 6.488 1.00 0.00 O ATOM 0 H ASP A 106 13.919 -7.483 5.518 1.00 0.00 H new ATOM 0 HA ASP A 106 13.325 -7.133 8.116 1.00 0.00 H new ATOM 0 HB2 ASP A 106 15.810 -8.025 8.465 1.00 0.00 H new ATOM 0 HB3 ASP A 106 14.593 -9.036 7.711 1.00 0.00 H new ATOM 591 N GLU A 107 16.023 -5.313 7.498 1.00 0.00 N ATOM 592 CA GLU A 107 16.796 -4.160 7.946 1.00 0.00 C ATOM 593 C GLU A 107 15.982 -2.876 7.857 1.00 0.00 C ATOM 594 O GLU A 107 16.319 -1.869 8.480 1.00 0.00 O ATOM 595 CB GLU A 107 18.046 -4.020 7.091 1.00 0.00 C ATOM 596 CG GLU A 107 18.997 -5.193 7.216 1.00 0.00 C ATOM 597 CD GLU A 107 19.727 -5.215 8.545 1.00 0.00 C ATOM 598 OE1 GLU A 107 20.633 -4.377 8.738 1.00 0.00 O ATOM 599 OE2 GLU A 107 19.393 -6.069 9.392 1.00 0.00 O1- ATOM 0 H GLU A 107 16.411 -5.786 6.682 1.00 0.00 H new ATOM 0 HA GLU A 107 17.069 -4.323 8.989 1.00 0.00 H new ATOM 0 HB2 GLU A 107 17.752 -3.910 6.047 1.00 0.00 H new ATOM 0 HB3 GLU A 107 18.569 -3.106 7.373 1.00 0.00 H new ATOM 0 HG2 GLU A 107 18.439 -6.122 7.097 1.00 0.00 H new ATOM 0 HG3 GLU A 107 19.726 -5.153 6.406 1.00 0.00 H new ATOM 606 N ASN A 108 14.917 -2.921 7.076 1.00 0.00 N ATOM 607 CA ASN A 108 14.052 -1.766 6.892 1.00 0.00 C ATOM 608 C ASN A 108 12.921 -1.771 7.907 1.00 0.00 C ATOM 609 O ASN A 108 12.309 -0.742 8.171 1.00 0.00 O ATOM 610 CB ASN A 108 13.485 -1.747 5.472 1.00 0.00 C ATOM 611 CG ASN A 108 14.546 -1.435 4.435 1.00 0.00 C ATOM 612 OD1 ASN A 108 15.391 -2.274 4.122 1.00 0.00 O ATOM 613 ND2 ASN A 108 14.510 -0.222 3.897 1.00 0.00 N ATOM 0 H ASN A 108 14.628 -3.749 6.556 1.00 0.00 H new ATOM 0 HA ASN A 108 14.648 -0.867 7.046 1.00 0.00 H new ATOM 0 HB2 ASN A 108 13.035 -2.715 5.249 1.00 0.00 H new ATOM 0 HB3 ASN A 108 12.690 -1.004 5.410 1.00 0.00 H new ATOM 0 HD21 ASN A 108 15.200 0.045 3.195 1.00 0.00 H new ATOM 0 HD22 ASN A 108 13.792 0.443 4.185 1.00 0.00 H new ATOM 620 N LEU A 109 12.661 -2.935 8.489 1.00 0.00 N ATOM 621 CA LEU A 109 11.625 -3.073 9.479 1.00 0.00 C ATOM 622 C LEU A 109 11.999 -2.282 10.696 1.00 0.00 C ATOM 623 O LEU A 109 11.248 -1.428 11.166 1.00 0.00 O ATOM 624 CB LEU A 109 11.467 -4.535 9.836 1.00 0.00 C ATOM 625 CG LEU A 109 10.400 -5.274 9.048 1.00 0.00 C ATOM 626 CD1 LEU A 109 9.143 -5.366 9.883 1.00 0.00 C ATOM 627 CD2 LEU A 109 10.099 -4.593 7.721 1.00 0.00 C ATOM 0 H LEU A 109 13.164 -3.798 8.283 1.00 0.00 H new ATOM 0 HA LEU A 109 10.680 -2.699 9.085 1.00 0.00 H new ATOM 0 HB2 LEU A 109 12.423 -5.036 9.684 1.00 0.00 H new ATOM 0 HB3 LEU A 109 11.232 -4.611 10.898 1.00 0.00 H new ATOM 0 HG LEU A 109 10.773 -6.272 8.820 1.00 0.00 H new ATOM 0 HD11 LEU A 109 8.372 -5.896 9.323 1.00 0.00 H new ATOM 0 HD12 LEU A 109 9.357 -5.906 10.805 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.792 -4.363 10.124 1.00 0.00 H new ATOM 0 HD21 LEU A 109 9.331 -5.155 7.190 1.00 0.00 H new ATOM 0 HD22 LEU A 109 9.745 -3.578 7.905 1.00 0.00 H new ATOM 0 HD23 LEU A 109 11.005 -4.557 7.116 1.00 0.00 H new ATOM 639 N GLU A 110 13.194 -2.557 11.189 1.00 0.00 N ATOM 640 CA GLU A 110 13.702 -1.854 12.337 1.00 0.00 C ATOM 641 C GLU A 110 13.601 -0.346 12.115 1.00 0.00 C ATOM 642 O GLU A 110 13.620 0.440 13.062 1.00 0.00 O ATOM 643 CB GLU A 110 15.159 -2.227 12.637 1.00 0.00 C ATOM 644 CG GLU A 110 15.747 -3.289 11.731 1.00 0.00 C ATOM 645 CD GLU A 110 17.255 -3.385 11.854 1.00 0.00 C ATOM 646 OE1 GLU A 110 17.746 -3.626 12.978 1.00 0.00 O1- ATOM 647 OE2 GLU A 110 17.947 -3.219 10.827 1.00 0.00 O ATOM 0 H GLU A 110 13.824 -3.262 10.808 1.00 0.00 H new ATOM 0 HA GLU A 110 13.094 -2.146 13.193 1.00 0.00 H new ATOM 0 HB2 GLU A 110 15.771 -1.328 12.563 1.00 0.00 H new ATOM 0 HB3 GLU A 110 15.225 -2.573 13.668 1.00 0.00 H new ATOM 0 HG2 GLU A 110 15.303 -4.255 11.973 1.00 0.00 H new ATOM 0 HG3 GLU A 110 15.483 -3.067 10.697 1.00 0.00 H new ATOM 654 N LYS A 111 13.521 0.041 10.843 1.00 0.00 N ATOM 655 CA LYS A 111 13.448 1.440 10.462 1.00 0.00 C ATOM 656 C LYS A 111 12.150 1.781 9.729 1.00 0.00 C ATOM 657 O LYS A 111 12.061 2.829 9.090 1.00 0.00 O ATOM 658 CB LYS A 111 14.638 1.764 9.566 1.00 0.00 C ATOM 659 CG LYS A 111 15.866 2.223 10.331 1.00 0.00 C ATOM 660 CD LYS A 111 15.631 3.561 11.013 1.00 0.00 C ATOM 661 CE LYS A 111 15.289 3.386 12.485 1.00 0.00 C ATOM 662 NZ LYS A 111 14.178 4.283 12.908 1.00 0.00 N1+ ATOM 0 H LYS A 111 13.505 -0.607 10.055 1.00 0.00 H new ATOM 0 HA LYS A 111 13.468 2.038 11.373 1.00 0.00 H new ATOM 0 HB2 LYS A 111 14.893 0.880 8.981 1.00 0.00 H new ATOM 0 HB3 LYS A 111 14.349 2.541 8.859 1.00 0.00 H new ATOM 0 HG2 LYS A 111 16.131 1.475 11.078 1.00 0.00 H new ATOM 0 HG3 LYS A 111 16.711 2.305 9.648 1.00 0.00 H new ATOM 0 HD2 LYS A 111 16.523 4.181 10.917 1.00 0.00 H new ATOM 0 HD3 LYS A 111 14.820 4.089 10.511 1.00 0.00 H new ATOM 0 HE2 LYS A 111 15.009 2.349 12.672 1.00 0.00 H new ATOM 0 HE3 LYS A 111 16.172 3.592 13.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 13.976 4.133 13.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 14.454 5.274 12.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 13.327 4.069 12.349 1.00 0.00 H new ATOM 676 N ASP A 112 11.156 0.899 9.791 1.00 0.00 N ATOM 677 CA ASP A 112 9.900 1.152 9.089 1.00 0.00 C ATOM 678 C ASP A 112 8.680 0.865 9.951 1.00 0.00 C ATOM 679 O ASP A 112 7.763 0.145 9.550 1.00 0.00 O ATOM 680 CB ASP A 112 9.847 0.330 7.815 1.00 0.00 C ATOM 681 CG ASP A 112 8.803 0.836 6.849 1.00 0.00 C ATOM 682 OD1 ASP A 112 7.622 0.919 7.242 1.00 0.00 O ATOM 683 OD2 ASP A 112 9.165 1.151 5.696 1.00 0.00 O1- ATOM 0 H ASP A 112 11.192 0.021 10.308 1.00 0.00 H new ATOM 0 HA ASP A 112 9.873 2.214 8.845 1.00 0.00 H new ATOM 0 HB2 ASP A 112 10.824 0.348 7.333 1.00 0.00 H new ATOM 0 HB3 ASP A 112 9.634 -0.709 8.065 1.00 0.00 H new ATOM 688 N ALA A 113 8.669 1.461 11.123 1.00 0.00 N ATOM 689 CA ALA A 113 7.552 1.307 12.045 1.00 0.00 C ATOM 690 C ALA A 113 6.385 2.207 11.633 1.00 0.00 C ATOM 691 O ALA A 113 5.305 2.144 12.217 1.00 0.00 O ATOM 692 CB ALA A 113 7.995 1.616 13.467 1.00 0.00 C ATOM 0 H ALA A 113 9.420 2.059 11.466 1.00 0.00 H new ATOM 0 HA ALA A 113 7.211 0.272 12.007 1.00 0.00 H new ATOM 0 HB1 ALA A 113 7.150 1.497 14.145 1.00 0.00 H new ATOM 0 HB2 ALA A 113 8.792 0.931 13.757 1.00 0.00 H new ATOM 0 HB3 ALA A 113 8.361 2.642 13.519 1.00 0.00 H new ATOM 698 N PHE A 114 6.615 3.047 10.622 1.00 0.00 N ATOM 699 CA PHE A 114 5.592 3.964 10.129 1.00 0.00 C ATOM 700 C PHE A 114 4.579 3.243 9.238 1.00 0.00 C ATOM 701 O PHE A 114 3.387 3.535 9.283 1.00 0.00 O ATOM 702 CB PHE A 114 6.241 5.110 9.345 1.00 0.00 C ATOM 703 CG PHE A 114 7.264 4.647 8.346 1.00 0.00 C ATOM 704 CD1 PHE A 114 6.875 3.988 7.190 1.00 0.00 C ATOM 705 CD2 PHE A 114 8.615 4.858 8.568 1.00 0.00 C ATOM 706 CE1 PHE A 114 7.810 3.547 6.277 1.00 0.00 C ATOM 707 CE2 PHE A 114 9.558 4.419 7.656 1.00 0.00 C ATOM 708 CZ PHE A 114 9.155 3.762 6.511 1.00 0.00 C ATOM 0 H PHE A 114 7.506 3.109 10.129 1.00 0.00 H new ATOM 0 HA PHE A 114 5.064 4.366 10.993 1.00 0.00 H new ATOM 0 HB2 PHE A 114 5.464 5.670 8.825 1.00 0.00 H new ATOM 0 HB3 PHE A 114 6.714 5.797 10.046 1.00 0.00 H new ATOM 0 HD1 PHE A 114 5.825 3.818 7.002 1.00 0.00 H new ATOM 0 HD2 PHE A 114 8.936 5.371 9.463 1.00 0.00 H new ATOM 0 HE1 PHE A 114 7.492 3.035 5.381 1.00 0.00 H new ATOM 0 HE2 PHE A 114 10.608 4.590 7.840 1.00 0.00 H new ATOM 0 HZ PHE A 114 9.890 3.416 5.799 1.00 0.00 H new ATOM 718 N LEU A 115 5.064 2.309 8.425 1.00 0.00 N ATOM 719 CA LEU A 115 4.200 1.558 7.520 1.00 0.00 C ATOM 720 C LEU A 115 3.558 0.379 8.244 1.00 0.00 C ATOM 721 O LEU A 115 2.452 -0.041 7.907 1.00 0.00 O ATOM 722 CB LEU A 115 5.001 1.067 6.305 1.00 0.00 C ATOM 723 CG LEU A 115 4.271 1.135 4.955 1.00 0.00 C ATOM 724 CD1 LEU A 115 5.095 0.470 3.857 1.00 0.00 C ATOM 725 CD2 LEU A 115 2.904 0.483 5.051 1.00 0.00 C ATOM 0 H LEU A 115 6.050 2.054 8.374 1.00 0.00 H new ATOM 0 HA LEU A 115 3.407 2.220 7.172 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.915 1.656 6.233 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.301 0.034 6.484 1.00 0.00 H new ATOM 0 HG LEU A 115 4.139 2.186 4.698 1.00 0.00 H new ATOM 0 HD11 LEU A 115 4.557 0.531 2.911 1.00 0.00 H new ATOM 0 HD12 LEU A 115 6.054 0.979 3.763 1.00 0.00 H new ATOM 0 HD13 LEU A 115 5.264 -0.576 4.112 1.00 0.00 H new ATOM 0 HD21 LEU A 115 2.404 0.542 4.084 1.00 0.00 H new ATOM 0 HD22 LEU A 115 3.019 -0.563 5.337 1.00 0.00 H new ATOM 0 HD23 LEU A 115 2.306 1.001 5.801 1.00 0.00 H new ATOM 737 N LEU A 116 4.263 -0.151 9.240 1.00 0.00 N ATOM 738 CA LEU A 116 3.759 -1.284 10.010 1.00 0.00 C ATOM 739 C LEU A 116 2.817 -0.829 11.123 1.00 0.00 C ATOM 740 O LEU A 116 1.681 -1.291 11.213 1.00 0.00 O ATOM 741 CB LEU A 116 4.924 -2.078 10.607 1.00 0.00 C ATOM 742 CG LEU A 116 5.385 -3.274 9.773 1.00 0.00 C ATOM 743 CD1 LEU A 116 6.600 -2.904 8.937 1.00 0.00 C ATOM 744 CD2 LEU A 116 5.696 -4.462 10.671 1.00 0.00 C ATOM 0 H LEU A 116 5.181 0.184 9.532 1.00 0.00 H new ATOM 0 HA LEU A 116 3.196 -1.923 9.330 1.00 0.00 H new ATOM 0 HB2 LEU A 116 5.769 -1.404 10.747 1.00 0.00 H new ATOM 0 HB3 LEU A 116 4.633 -2.434 11.595 1.00 0.00 H new ATOM 0 HG LEU A 116 4.577 -3.556 9.098 1.00 0.00 H new ATOM 0 HD11 LEU A 116 6.914 -3.767 8.350 1.00 0.00 H new ATOM 0 HD12 LEU A 116 6.344 -2.083 8.267 1.00 0.00 H new ATOM 0 HD13 LEU A 116 7.414 -2.596 9.594 1.00 0.00 H new ATOM 0 HD21 LEU A 116 6.022 -5.304 10.061 1.00 0.00 H new ATOM 0 HD22 LEU A 116 6.488 -4.192 11.370 1.00 0.00 H new ATOM 0 HD23 LEU A 116 4.801 -4.742 11.227 1.00 0.00 H new ATOM 922 N TYR A 126 -2.359 -6.880 8.527 1.00 0.00 N ATOM 923 CA TYR A 126 -2.493 -6.352 7.172 1.00 0.00 C ATOM 924 C TYR A 126 -2.243 -4.849 7.137 1.00 0.00 C ATOM 925 O TYR A 126 -2.581 -4.131 8.078 1.00 0.00 O ATOM 926 CB TYR A 126 -3.883 -6.664 6.617 1.00 0.00 C ATOM 927 CG TYR A 126 -5.008 -6.293 7.557 1.00 0.00 C ATOM 928 CD1 TYR A 126 -5.409 -4.971 7.703 1.00 0.00 C ATOM 929 CD2 TYR A 126 -5.668 -7.265 8.297 1.00 0.00 C ATOM 930 CE1 TYR A 126 -6.436 -4.628 8.561 1.00 0.00 C ATOM 931 CE2 TYR A 126 -6.697 -6.930 9.157 1.00 0.00 C ATOM 932 CZ TYR A 126 -7.077 -5.610 9.285 1.00 0.00 C ATOM 933 OH TYR A 126 -8.101 -5.273 10.141 1.00 0.00 O ATOM 0 HA TYR A 126 -1.741 -6.836 6.549 1.00 0.00 H new ATOM 0 HB2 TYR A 126 -4.017 -6.131 5.675 1.00 0.00 H new ATOM 0 HB3 TYR A 126 -3.945 -7.729 6.392 1.00 0.00 H new ATOM 0 HD1 TYR A 126 -4.910 -4.199 7.137 1.00 0.00 H new ATOM 0 HD2 TYR A 126 -5.373 -8.299 8.199 1.00 0.00 H new ATOM 0 HE1 TYR A 126 -6.735 -3.595 8.664 1.00 0.00 H new ATOM 0 HE2 TYR A 126 -7.201 -7.698 9.726 1.00 0.00 H new ATOM 0 HH TYR A 126 -8.446 -6.082 10.573 1.00 0.00 H new ATOM 943 N VAL A 127 -1.652 -4.380 6.042 1.00 0.00 N ATOM 944 CA VAL A 127 -1.357 -2.965 5.874 1.00 0.00 C ATOM 945 C VAL A 127 -2.359 -2.319 4.925 1.00 0.00 C ATOM 946 O VAL A 127 -2.513 -2.749 3.785 1.00 0.00 O ATOM 947 CB VAL A 127 0.066 -2.768 5.320 1.00 0.00 C ATOM 948 CG1 VAL A 127 0.345 -1.308 5.008 1.00 0.00 C ATOM 949 CG2 VAL A 127 1.096 -3.322 6.293 1.00 0.00 C ATOM 0 H VAL A 127 -1.368 -4.964 5.256 1.00 0.00 H new ATOM 0 HA VAL A 127 -1.429 -2.490 6.853 1.00 0.00 H new ATOM 0 HB VAL A 127 0.141 -3.321 4.384 1.00 0.00 H new ATOM 0 HG11 VAL A 127 1.358 -1.206 4.619 1.00 0.00 H new ATOM 0 HG12 VAL A 127 -0.367 -0.953 4.263 1.00 0.00 H new ATOM 0 HG13 VAL A 127 0.244 -0.716 5.918 1.00 0.00 H new ATOM 0 HG21 VAL A 127 2.097 -3.175 5.886 1.00 0.00 H new ATOM 0 HG22 VAL A 127 1.012 -2.802 7.247 1.00 0.00 H new ATOM 0 HG23 VAL A 127 0.918 -4.387 6.443 1.00 0.00 H new ATOM 959 N SER A 128 -3.035 -1.283 5.398 1.00 0.00 N ATOM 960 CA SER A 128 -4.016 -0.592 4.575 1.00 0.00 C ATOM 961 C SER A 128 -3.337 0.127 3.413 1.00 0.00 C ATOM 962 O SER A 128 -2.507 1.018 3.613 1.00 0.00 O ATOM 963 CB SER A 128 -4.823 0.400 5.417 1.00 0.00 C ATOM 964 OG SER A 128 -4.225 0.599 6.687 1.00 0.00 O ATOM 0 H SER A 128 -2.924 -0.905 6.339 1.00 0.00 H new ATOM 0 HA SER A 128 -4.700 -1.336 4.166 1.00 0.00 H new ATOM 0 HB2 SER A 128 -4.894 1.353 4.892 1.00 0.00 H new ATOM 0 HB3 SER A 128 -5.840 0.030 5.545 1.00 0.00 H new ATOM 0 HG SER A 128 -4.759 1.238 7.204 1.00 0.00 H new ATOM 970 N VAL A 129 -3.697 -0.272 2.196 1.00 0.00 N ATOM 971 CA VAL A 129 -3.129 0.321 0.991 1.00 0.00 C ATOM 972 C VAL A 129 -3.269 1.842 0.994 1.00 0.00 C ATOM 973 O VAL A 129 -2.507 2.544 0.335 1.00 0.00 O ATOM 974 CB VAL A 129 -3.784 -0.253 -0.283 1.00 0.00 C ATOM 975 CG1 VAL A 129 -5.150 0.373 -0.529 1.00 0.00 C ATOM 976 CG2 VAL A 129 -2.867 -0.048 -1.480 1.00 0.00 C ATOM 0 H VAL A 129 -4.382 -1.007 2.019 1.00 0.00 H new ATOM 0 HA VAL A 129 -2.069 0.067 0.988 1.00 0.00 H new ATOM 0 HB VAL A 129 -3.935 -1.323 -0.140 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -5.587 -0.051 -1.433 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -5.802 0.168 0.320 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -5.040 1.451 -0.650 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -3.339 -0.457 -2.374 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -2.685 1.017 -1.621 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -1.920 -0.558 -1.304 1.00 0.00 H new ATOM 986 N LYS A 130 -4.250 2.343 1.732 1.00 0.00 N ATOM 987 CA LYS A 130 -4.487 3.779 1.811 1.00 0.00 C ATOM 988 C LYS A 130 -3.456 4.465 2.705 1.00 0.00 C ATOM 989 O LYS A 130 -3.277 5.682 2.636 1.00 0.00 O ATOM 990 CB LYS A 130 -5.896 4.054 2.336 1.00 0.00 C ATOM 991 CG LYS A 130 -6.514 5.328 1.782 1.00 0.00 C ATOM 992 CD LYS A 130 -7.512 5.933 2.756 1.00 0.00 C ATOM 993 CE LYS A 130 -8.907 5.364 2.549 1.00 0.00 C ATOM 994 NZ LYS A 130 -9.070 4.038 3.207 1.00 0.00 N1+ ATOM 0 H LYS A 130 -4.894 1.777 2.284 1.00 0.00 H new ATOM 0 HA LYS A 130 -4.390 4.188 0.805 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -6.539 3.210 2.086 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -5.863 4.119 3.424 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -5.728 6.052 1.569 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -7.012 5.111 0.837 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -7.187 5.740 3.778 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -7.537 7.015 2.628 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -9.645 6.060 2.947 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -9.104 5.266 1.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -10.082 3.839 3.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -8.649 3.299 2.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -8.593 4.048 4.131 1.00 0.00 H new ATOM 1008 N LEU A 131 -2.793 3.687 3.557 1.00 0.00 N ATOM 1009 CA LEU A 131 -1.802 4.237 4.474 1.00 0.00 C ATOM 1010 C LEU A 131 -0.429 4.401 3.821 1.00 0.00 C ATOM 1011 O LEU A 131 0.265 5.386 4.073 1.00 0.00 O ATOM 1012 CB LEU A 131 -1.708 3.373 5.734 1.00 0.00 C ATOM 1013 CG LEU A 131 -0.553 2.385 5.746 1.00 0.00 C ATOM 1014 CD1 LEU A 131 0.708 3.045 6.286 1.00 0.00 C ATOM 1015 CD2 LEU A 131 -0.911 1.146 6.554 1.00 0.00 C ATOM 0 H LEU A 131 -2.924 2.678 3.630 1.00 0.00 H new ATOM 0 HA LEU A 131 -2.137 5.236 4.753 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -1.616 4.028 6.600 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -2.641 2.821 5.849 1.00 0.00 H new ATOM 0 HG LEU A 131 -0.358 2.070 4.721 1.00 0.00 H new ATOM 0 HD11 LEU A 131 1.525 2.323 6.287 1.00 0.00 H new ATOM 0 HD12 LEU A 131 0.974 3.893 5.654 1.00 0.00 H new ATOM 0 HD13 LEU A 131 0.529 3.393 7.304 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -0.070 0.453 6.549 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -1.138 1.434 7.581 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -1.782 0.663 6.112 1.00 0.00 H new ATOM 1027 N LEU A 132 -0.031 3.443 2.990 1.00 0.00 N ATOM 1028 CA LEU A 132 1.273 3.525 2.332 1.00 0.00 C ATOM 1029 C LEU A 132 1.206 4.351 1.048 1.00 0.00 C ATOM 1030 O LEU A 132 2.238 4.708 0.480 1.00 0.00 O ATOM 1031 CB LEU A 132 1.874 2.134 2.056 1.00 0.00 C ATOM 1032 CG LEU A 132 0.987 1.121 1.322 1.00 0.00 C ATOM 1033 CD1 LEU A 132 -0.005 0.481 2.277 1.00 0.00 C ATOM 1034 CD2 LEU A 132 0.266 1.770 0.152 1.00 0.00 C ATOM 0 H LEU A 132 -0.579 2.615 2.758 1.00 0.00 H new ATOM 0 HA LEU A 132 1.939 4.036 3.028 1.00 0.00 H new ATOM 0 HB2 LEU A 132 2.786 2.269 1.474 1.00 0.00 H new ATOM 0 HB3 LEU A 132 2.167 1.697 3.011 1.00 0.00 H new ATOM 0 HG LEU A 132 1.633 0.338 0.925 1.00 0.00 H new ATOM 0 HD11 LEU A 132 -0.623 -0.234 1.734 1.00 0.00 H new ATOM 0 HD12 LEU A 132 0.535 -0.036 3.070 1.00 0.00 H new ATOM 0 HD13 LEU A 132 -0.640 1.252 2.713 1.00 0.00 H new ATOM 0 HD21 LEU A 132 -0.355 1.028 -0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 132 -0.362 2.582 0.517 1.00 0.00 H new ATOM 0 HD23 LEU A 132 0.998 2.166 -0.552 1.00 0.00 H new ATOM 1046 N THR A 133 -0.006 4.669 0.598 1.00 0.00 N ATOM 1047 CA THR A 133 -0.177 5.469 -0.612 1.00 0.00 C ATOM 1048 C THR A 133 0.192 6.927 -0.339 1.00 0.00 C ATOM 1049 O THR A 133 0.433 7.701 -1.265 1.00 0.00 O ATOM 1050 CB THR A 133 -1.616 5.368 -1.127 1.00 0.00 C ATOM 1051 OG1 THR A 133 -1.937 4.027 -1.448 1.00 0.00 O ATOM 1052 CG2 THR A 133 -1.882 6.201 -2.364 1.00 0.00 C ATOM 0 H THR A 133 -0.877 4.388 1.049 1.00 0.00 H new ATOM 0 HA THR A 133 0.489 5.079 -1.381 1.00 0.00 H new ATOM 0 HB THR A 133 -2.234 5.749 -0.314 1.00 0.00 H new ATOM 0 HG1 THR A 133 -2.401 3.612 -0.692 1.00 0.00 H new ATOM 0 HG21 THR A 133 -2.921 6.078 -2.669 1.00 0.00 H new ATOM 0 HG22 THR A 133 -1.690 7.251 -2.144 1.00 0.00 H new ATOM 0 HG23 THR A 133 -1.226 5.874 -3.171 1.00 0.00 H new ATOM 1060 N SER A 134 0.246 7.287 0.943 1.00 0.00 N ATOM 1061 CA SER A 134 0.600 8.642 1.351 1.00 0.00 C ATOM 1062 C SER A 134 1.920 8.638 2.121 1.00 0.00 C ATOM 1063 O SER A 134 2.160 9.496 2.969 1.00 0.00 O ATOM 1064 CB SER A 134 -0.511 9.242 2.216 1.00 0.00 C ATOM 1065 OG SER A 134 -0.110 10.480 2.778 1.00 0.00 O ATOM 0 H SER A 134 0.048 6.654 1.718 1.00 0.00 H new ATOM 0 HA SER A 134 0.719 9.253 0.456 1.00 0.00 H new ATOM 0 HB2 SER A 134 -1.407 9.387 1.613 1.00 0.00 H new ATOM 0 HB3 SER A 134 -0.772 8.545 3.013 1.00 0.00 H new ATOM 0 HG SER A 134 -0.502 11.216 2.263 1.00 0.00 H new ATOM 1071 N PHE A 135 2.769 7.661 1.813 1.00 0.00 N ATOM 1072 CA PHE A 135 4.069 7.527 2.464 1.00 0.00 C ATOM 1073 C PHE A 135 5.067 8.535 1.899 1.00 0.00 C ATOM 1074 O PHE A 135 5.435 8.466 0.730 1.00 0.00 O ATOM 1075 CB PHE A 135 4.600 6.099 2.300 1.00 0.00 C ATOM 1076 CG PHE A 135 5.948 5.865 2.931 1.00 0.00 C ATOM 1077 CD1 PHE A 135 6.455 6.740 3.881 1.00 0.00 C ATOM 1078 CD2 PHE A 135 6.709 4.764 2.569 1.00 0.00 C ATOM 1079 CE1 PHE A 135 7.692 6.521 4.455 1.00 0.00 C ATOM 1080 CE2 PHE A 135 7.946 4.540 3.140 1.00 0.00 C ATOM 1081 CZ PHE A 135 8.439 5.421 4.084 1.00 0.00 C ATOM 0 H PHE A 135 2.578 6.946 1.111 1.00 0.00 H new ATOM 0 HA PHE A 135 3.943 7.734 3.527 1.00 0.00 H new ATOM 0 HB2 PHE A 135 3.882 5.404 2.735 1.00 0.00 H new ATOM 0 HB3 PHE A 135 4.664 5.867 1.237 1.00 0.00 H new ATOM 0 HD1 PHE A 135 5.875 7.603 4.175 1.00 0.00 H new ATOM 0 HD2 PHE A 135 6.329 4.073 1.831 1.00 0.00 H new ATOM 0 HE1 PHE A 135 8.075 7.210 5.194 1.00 0.00 H new ATOM 0 HE2 PHE A 135 8.528 3.678 2.849 1.00 0.00 H new ATOM 0 HZ PHE A 135 9.407 5.249 4.531 1.00 0.00 H new ATOM 1091 N LYS A 136 5.484 9.481 2.741 1.00 0.00 N ATOM 1092 CA LYS A 136 6.429 10.531 2.345 1.00 0.00 C ATOM 1093 C LYS A 136 7.511 10.025 1.385 1.00 0.00 C ATOM 1094 O LYS A 136 8.004 10.783 0.549 1.00 0.00 O ATOM 1095 CB LYS A 136 7.088 11.134 3.587 1.00 0.00 C ATOM 1096 CG LYS A 136 7.790 12.455 3.323 1.00 0.00 C ATOM 1097 CD LYS A 136 7.885 13.298 4.584 1.00 0.00 C ATOM 1098 CE LYS A 136 8.858 12.696 5.584 1.00 0.00 C ATOM 1099 NZ LYS A 136 8.431 12.938 6.990 1.00 0.00 N1+ ATOM 0 H LYS A 136 5.179 9.543 3.712 1.00 0.00 H new ATOM 0 HA LYS A 136 5.855 11.291 1.814 1.00 0.00 H new ATOM 0 HB2 LYS A 136 6.329 11.283 4.355 1.00 0.00 H new ATOM 0 HB3 LYS A 136 7.810 10.422 3.987 1.00 0.00 H new ATOM 0 HG2 LYS A 136 8.791 12.265 2.935 1.00 0.00 H new ATOM 0 HG3 LYS A 136 7.250 13.008 2.554 1.00 0.00 H new ATOM 0 HD2 LYS A 136 8.206 14.307 4.325 1.00 0.00 H new ATOM 0 HD3 LYS A 136 6.899 13.384 5.041 1.00 0.00 H new ATOM 0 HE2 LYS A 136 8.941 11.623 5.409 1.00 0.00 H new ATOM 0 HE3 LYS A 136 9.849 13.122 5.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 9.121 12.512 7.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 8.377 13.962 7.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 7.496 12.510 7.148 1.00 0.00 H new ATOM 1113 N LYS A 137 7.876 8.750 1.497 1.00 0.00 N ATOM 1114 CA LYS A 137 8.892 8.175 0.625 1.00 0.00 C ATOM 1115 C LYS A 137 8.290 7.846 -0.731 1.00 0.00 C ATOM 1116 O LYS A 137 8.894 8.104 -1.773 1.00 0.00 O ATOM 1117 CB LYS A 137 9.489 6.916 1.254 1.00 0.00 C ATOM 1118 CG LYS A 137 10.626 7.200 2.222 1.00 0.00 C ATOM 1119 CD LYS A 137 11.669 6.095 2.196 1.00 0.00 C ATOM 1120 CE LYS A 137 13.045 6.618 2.572 1.00 0.00 C ATOM 1121 NZ LYS A 137 13.642 7.443 1.484 1.00 0.00 N1+ ATOM 0 H LYS A 137 7.485 8.100 2.179 1.00 0.00 H new ATOM 0 HA LYS A 137 9.689 8.907 0.492 1.00 0.00 H new ATOM 0 HB2 LYS A 137 8.702 6.374 1.779 1.00 0.00 H new ATOM 0 HB3 LYS A 137 9.852 6.261 0.462 1.00 0.00 H new ATOM 0 HG2 LYS A 137 11.095 8.150 1.966 1.00 0.00 H new ATOM 0 HG3 LYS A 137 10.228 7.303 3.232 1.00 0.00 H new ATOM 0 HD2 LYS A 137 11.379 5.303 2.886 1.00 0.00 H new ATOM 0 HD3 LYS A 137 11.707 5.652 1.201 1.00 0.00 H new ATOM 0 HE2 LYS A 137 12.971 7.215 3.481 1.00 0.00 H new ATOM 0 HE3 LYS A 137 13.704 5.779 2.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 14.662 7.554 1.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 13.491 6.972 0.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 13.190 8.379 1.470 1.00 0.00 H new ATOM 1135 N VAL A 138 7.083 7.292 -0.709 1.00 0.00 N ATOM 1136 CA VAL A 138 6.382 6.947 -1.932 1.00 0.00 C ATOM 1137 C VAL A 138 5.814 8.211 -2.581 1.00 0.00 C ATOM 1138 O VAL A 138 5.647 8.280 -3.797 1.00 0.00 O ATOM 1139 CB VAL A 138 5.248 5.925 -1.663 1.00 0.00 C ATOM 1140 CG1 VAL A 138 4.063 6.144 -2.594 1.00 0.00 C ATOM 1141 CG2 VAL A 138 5.773 4.501 -1.791 1.00 0.00 C ATOM 0 H VAL A 138 6.572 7.073 0.146 1.00 0.00 H new ATOM 0 HA VAL A 138 7.095 6.482 -2.613 1.00 0.00 H new ATOM 0 HB VAL A 138 4.898 6.080 -0.642 1.00 0.00 H new ATOM 0 HG11 VAL A 138 3.288 5.409 -2.376 1.00 0.00 H new ATOM 0 HG12 VAL A 138 3.664 7.147 -2.445 1.00 0.00 H new ATOM 0 HG13 VAL A 138 4.388 6.033 -3.629 1.00 0.00 H new ATOM 0 HG21 VAL A 138 4.964 3.796 -1.599 1.00 0.00 H new ATOM 0 HG22 VAL A 138 6.159 4.345 -2.798 1.00 0.00 H new ATOM 0 HG23 VAL A 138 6.572 4.342 -1.067 1.00 0.00 H new ATOM 1151 N LYS A 139 5.522 9.208 -1.752 1.00 0.00 N ATOM 1152 CA LYS A 139 4.980 10.473 -2.231 1.00 0.00 C ATOM 1153 C LYS A 139 6.007 11.220 -3.072 1.00 0.00 C ATOM 1154 O LYS A 139 5.662 11.862 -4.064 1.00 0.00 O ATOM 1155 CB LYS A 139 4.555 11.349 -1.055 1.00 0.00 C ATOM 1156 CG LYS A 139 3.499 10.715 -0.166 1.00 0.00 C ATOM 1157 CD LYS A 139 3.388 11.436 1.169 1.00 0.00 C ATOM 1158 CE LYS A 139 1.969 11.914 1.430 1.00 0.00 C ATOM 1159 NZ LYS A 139 1.757 12.270 2.861 1.00 0.00 N1+ ATOM 0 H LYS A 139 5.653 9.163 -0.741 1.00 0.00 H new ATOM 0 HA LYS A 139 4.111 10.251 -2.850 1.00 0.00 H new ATOM 0 HB2 LYS A 139 5.433 11.581 -0.451 1.00 0.00 H new ATOM 0 HB3 LYS A 139 4.173 12.295 -1.439 1.00 0.00 H new ATOM 0 HG2 LYS A 139 2.534 10.736 -0.673 1.00 0.00 H new ATOM 0 HG3 LYS A 139 3.747 9.667 0.005 1.00 0.00 H new ATOM 0 HD2 LYS A 139 3.701 10.768 1.971 1.00 0.00 H new ATOM 0 HD3 LYS A 139 4.068 12.288 1.181 1.00 0.00 H new ATOM 0 HE2 LYS A 139 1.757 12.782 0.805 1.00 0.00 H new ATOM 0 HE3 LYS A 139 1.264 11.134 1.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 0.981 11.697 3.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 2.628 12.083 3.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 1.514 13.279 2.936 1.00 0.00 H new ATOM 1173 N HIS A 140 7.273 11.126 -2.673 1.00 0.00 N ATOM 1174 CA HIS A 140 8.353 11.789 -3.398 1.00 0.00 C ATOM 1175 C HIS A 140 8.319 11.404 -4.873 1.00 0.00 C ATOM 1176 O HIS A 140 8.831 12.125 -5.729 1.00 0.00 O ATOM 1177 CB HIS A 140 9.708 11.419 -2.791 1.00 0.00 C ATOM 1178 CG HIS A 140 10.784 12.422 -3.075 1.00 0.00 C ATOM 1179 ND1 HIS A 140 10.973 13.558 -2.316 1.00 0.00 N ATOM 1180 CD2 HIS A 140 11.732 12.453 -4.040 1.00 0.00 C ATOM 1181 CE1 HIS A 140 11.991 14.246 -2.804 1.00 0.00 C ATOM 1182 NE2 HIS A 140 12.469 13.596 -3.849 1.00 0.00 N ATOM 0 H HIS A 140 7.575 10.599 -1.854 1.00 0.00 H new ATOM 0 HA HIS A 140 8.213 12.867 -3.314 1.00 0.00 H new ATOM 0 HB2 HIS A 140 9.597 11.313 -1.712 1.00 0.00 H new ATOM 0 HB3 HIS A 140 10.017 10.447 -3.177 1.00 0.00 H new ATOM 0 HD2 HIS A 140 11.881 11.716 -4.816 1.00 0.00 H new ATOM 0 HE1 HIS A 140 12.367 15.180 -2.414 1.00 0.00 H new ATOM 0 HE2 HIS A 140 13.258 13.895 -4.422 1.00 0.00 H new ATOM 1191 N LEU A 141 7.703 10.262 -5.156 1.00 0.00 N ATOM 1192 CA LEU A 141 7.586 9.770 -6.521 1.00 0.00 C ATOM 1193 C LEU A 141 6.805 10.756 -7.383 1.00 0.00 C ATOM 1194 O LEU A 141 7.365 11.417 -8.256 1.00 0.00 O ATOM 1195 CB LEU A 141 6.884 8.411 -6.527 1.00 0.00 C ATOM 1196 CG LEU A 141 7.479 7.368 -5.582 1.00 0.00 C ATOM 1197 CD1 LEU A 141 6.534 6.185 -5.438 1.00 0.00 C ATOM 1198 CD2 LEU A 141 8.841 6.913 -6.079 1.00 0.00 C ATOM 0 H LEU A 141 7.276 9.658 -4.454 1.00 0.00 H new ATOM 0 HA LEU A 141 8.588 9.662 -6.936 1.00 0.00 H new ATOM 0 HB2 LEU A 141 5.836 8.560 -6.265 1.00 0.00 H new ATOM 0 HB3 LEU A 141 6.906 8.013 -7.542 1.00 0.00 H new ATOM 0 HG LEU A 141 7.611 7.823 -4.600 1.00 0.00 H new ATOM 0 HD11 LEU A 141 6.971 5.450 -4.762 1.00 0.00 H new ATOM 0 HD12 LEU A 141 5.581 6.528 -5.035 1.00 0.00 H new ATOM 0 HD13 LEU A 141 6.371 5.728 -6.414 1.00 0.00 H new ATOM 0 HD21 LEU A 141 9.249 6.170 -5.393 1.00 0.00 H new ATOM 0 HD22 LEU A 141 8.738 6.473 -7.071 1.00 0.00 H new ATOM 0 HD23 LEU A 141 9.514 7.769 -6.130 1.00 0.00 H new ATOM 1210 N THR A 142 5.504 10.839 -7.128 1.00 0.00 N ATOM 1211 CA THR A 142 4.621 11.731 -7.869 1.00 0.00 C ATOM 1212 C THR A 142 3.243 11.750 -7.223 1.00 0.00 C ATOM 1213 O THR A 142 3.060 11.244 -6.116 1.00 0.00 O ATOM 1214 CB THR A 142 4.493 11.273 -9.328 1.00 0.00 C ATOM 1215 OG1 THR A 142 5.574 10.435 -9.696 1.00 0.00 O ATOM 1216 CG2 THR A 142 4.448 12.420 -10.314 1.00 0.00 C ATOM 0 H THR A 142 5.034 10.293 -6.406 1.00 0.00 H new ATOM 0 HA THR A 142 5.049 12.733 -7.849 1.00 0.00 H new ATOM 0 HB THR A 142 3.546 10.734 -9.374 1.00 0.00 H new ATOM 0 HG1 THR A 142 6.405 10.954 -9.696 1.00 0.00 H new ATOM 0 HG21 THR A 142 4.357 12.026 -11.326 1.00 0.00 H new ATOM 0 HG22 THR A 142 3.591 13.056 -10.094 1.00 0.00 H new ATOM 0 HG23 THR A 142 5.364 13.005 -10.233 1.00 0.00 H new ATOM 1224 N ARG A 143 2.269 12.304 -7.933 1.00 0.00 N ATOM 1225 CA ARG A 143 0.902 12.347 -7.439 1.00 0.00 C ATOM 1226 C ARG A 143 0.145 11.129 -7.958 1.00 0.00 C ATOM 1227 O ARG A 143 -1.043 11.200 -8.269 1.00 0.00 O ATOM 1228 CB ARG A 143 0.208 13.637 -7.886 1.00 0.00 C ATOM 1229 CG ARG A 143 0.123 14.691 -6.793 1.00 0.00 C ATOM 1230 CD ARG A 143 1.053 15.861 -7.070 1.00 0.00 C ATOM 1231 NE ARG A 143 1.203 16.729 -5.904 1.00 0.00 N ATOM 1232 CZ ARG A 143 1.648 17.983 -5.964 1.00 0.00 C ATOM 1233 NH1 ARG A 143 1.988 18.517 -7.130 1.00 0.00 N1+ ATOM 1234 NH2 ARG A 143 1.752 18.702 -4.855 1.00 0.00 N ATOM 0 H ARG A 143 2.401 12.729 -8.851 1.00 0.00 H new ATOM 0 HA ARG A 143 0.913 12.331 -6.349 1.00 0.00 H new ATOM 0 HB2 ARG A 143 0.745 14.052 -8.739 1.00 0.00 H new ATOM 0 HB3 ARG A 143 -0.799 13.398 -8.229 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -0.903 15.052 -6.714 1.00 0.00 H new ATOM 0 HG3 ARG A 143 0.378 14.242 -5.833 1.00 0.00 H new ATOM 0 HD2 ARG A 143 2.031 15.484 -7.369 1.00 0.00 H new ATOM 0 HD3 ARG A 143 0.665 16.442 -7.907 1.00 0.00 H new ATOM 0 HE ARG A 143 0.952 16.352 -4.990 1.00 0.00 H new ATOM 0 HH11 ARG A 143 1.909 17.967 -7.985 1.00 0.00 H new ATOM 0 HH12 ARG A 143 2.328 19.478 -7.171 1.00 0.00 H new ATOM 0 HH21 ARG A 143 1.491 18.295 -3.957 1.00 0.00 H new ATOM 0 HH22 ARG A 143 2.093 19.662 -4.900 1.00 0.00 H new ATOM 1248 N ASP A 144 0.865 10.014 -8.066 1.00 0.00 N ATOM 1249 CA ASP A 144 0.299 8.771 -8.566 1.00 0.00 C ATOM 1250 C ASP A 144 -0.208 7.886 -7.431 1.00 0.00 C ATOM 1251 O ASP A 144 -0.058 6.666 -7.470 1.00 0.00 O ATOM 1252 CB ASP A 144 1.355 8.022 -9.382 1.00 0.00 C ATOM 1253 CG ASP A 144 1.362 8.439 -10.840 1.00 0.00 C ATOM 1254 OD1 ASP A 144 0.274 8.737 -11.378 1.00 0.00 O ATOM 1255 OD2 ASP A 144 2.454 8.466 -11.443 1.00 0.00 O1- ATOM 0 H ASP A 144 1.850 9.950 -7.810 1.00 0.00 H new ATOM 0 HA ASP A 144 -0.554 9.016 -9.199 1.00 0.00 H new ATOM 0 HB2 ASP A 144 2.339 8.203 -8.950 1.00 0.00 H new ATOM 0 HB3 ASP A 144 1.170 6.950 -9.314 1.00 0.00 H new ATOM 1260 N TRP A 145 -0.823 8.505 -6.429 1.00 0.00 N ATOM 1261 CA TRP A 145 -1.366 7.775 -5.300 1.00 0.00 C ATOM 1262 C TRP A 145 -2.444 6.811 -5.777 1.00 0.00 C ATOM 1263 O TRP A 145 -2.539 5.679 -5.306 1.00 0.00 O ATOM 1264 CB TRP A 145 -1.905 8.770 -4.273 1.00 0.00 C ATOM 1265 CG TRP A 145 -0.805 9.549 -3.614 1.00 0.00 C ATOM 1266 CD1 TRP A 145 0.538 9.373 -3.797 1.00 0.00 C ATOM 1267 CD2 TRP A 145 -0.944 10.625 -2.677 1.00 0.00 C ATOM 1268 NE1 TRP A 145 1.243 10.269 -3.037 1.00 0.00 N ATOM 1269 CE2 TRP A 145 0.357 11.049 -2.338 1.00 0.00 C ATOM 1270 CE3 TRP A 145 -2.037 11.269 -2.094 1.00 0.00 C ATOM 1271 CZ2 TRP A 145 0.589 12.090 -1.441 1.00 0.00 C ATOM 1272 CZ3 TRP A 145 -1.805 12.301 -1.204 1.00 0.00 C ATOM 1273 CH2 TRP A 145 -0.502 12.703 -0.886 1.00 0.00 C ATOM 0 H TRP A 145 -0.956 9.515 -6.380 1.00 0.00 H new ATOM 0 HA TRP A 145 -0.586 7.182 -4.823 1.00 0.00 H new ATOM 0 HB2 TRP A 145 -2.594 9.459 -4.762 1.00 0.00 H new ATOM 0 HB3 TRP A 145 -2.475 8.234 -3.514 1.00 0.00 H new ATOM 0 HD1 TRP A 145 0.980 8.633 -4.448 1.00 0.00 H new ATOM 0 HE1 TRP A 145 2.259 10.344 -2.997 1.00 0.00 H new ATOM 0 HE3 TRP A 145 -3.046 10.966 -2.334 1.00 0.00 H new ATOM 0 HZ2 TRP A 145 1.593 12.402 -1.193 1.00 0.00 H new ATOM 0 HZ3 TRP A 145 -2.643 12.806 -0.746 1.00 0.00 H new ATOM 0 HH2 TRP A 145 -0.355 13.514 -0.188 1.00 0.00 H new ATOM 1284 N ARG A 146 -3.224 7.259 -6.753 1.00 0.00 N ATOM 1285 CA ARG A 146 -4.267 6.429 -7.344 1.00 0.00 C ATOM 1286 C ARG A 146 -3.633 5.199 -7.978 1.00 0.00 C ATOM 1287 O ARG A 146 -4.225 4.119 -8.005 1.00 0.00 O ATOM 1288 CB ARG A 146 -5.025 7.218 -8.416 1.00 0.00 C ATOM 1289 CG ARG A 146 -4.111 7.985 -9.360 1.00 0.00 C ATOM 1290 CD ARG A 146 -4.570 9.423 -9.545 1.00 0.00 C ATOM 1291 NE ARG A 146 -5.872 9.504 -10.203 1.00 0.00 N ATOM 1292 CZ ARG A 146 -6.331 10.599 -10.806 1.00 0.00 C ATOM 1293 NH1 ARG A 146 -5.598 11.706 -10.833 1.00 0.00 N1+ ATOM 1294 NH2 ARG A 146 -7.525 10.590 -11.382 1.00 0.00 N ATOM 0 H ARG A 146 -3.154 8.195 -7.153 1.00 0.00 H new ATOM 0 HA ARG A 146 -4.966 6.126 -6.564 1.00 0.00 H new ATOM 0 HB2 ARG A 146 -5.640 6.530 -8.996 1.00 0.00 H new ATOM 0 HB3 ARG A 146 -5.703 7.919 -7.929 1.00 0.00 H new ATOM 0 HG2 ARG A 146 -3.094 7.976 -8.969 1.00 0.00 H new ATOM 0 HG3 ARG A 146 -4.085 7.484 -10.328 1.00 0.00 H new ATOM 0 HD2 ARG A 146 -4.624 9.914 -8.573 1.00 0.00 H new ATOM 0 HD3 ARG A 146 -3.832 9.966 -10.135 1.00 0.00 H new ATOM 0 HE ARG A 146 -6.464 8.673 -10.200 1.00 0.00 H new ATOM 0 HH11 ARG A 146 -4.679 11.720 -10.391 1.00 0.00 H new ATOM 0 HH12 ARG A 146 -5.954 12.542 -11.296 1.00 0.00 H new ATOM 0 HH21 ARG A 146 -8.094 9.743 -11.364 1.00 0.00 H new ATOM 0 HH22 ARG A 146 -7.875 11.430 -11.843 1.00 0.00 H new ATOM 1308 N THR A 147 -2.417 5.380 -8.481 1.00 0.00 N ATOM 1309 CA THR A 147 -1.680 4.297 -9.112 1.00 0.00 C ATOM 1310 C THR A 147 -1.061 3.387 -8.060 1.00 0.00 C ATOM 1311 O THR A 147 -0.787 2.221 -8.325 1.00 0.00 O ATOM 1312 CB THR A 147 -0.608 4.843 -10.070 1.00 0.00 C ATOM 1313 OG1 THR A 147 0.672 4.822 -9.466 1.00 0.00 O ATOM 1314 CG2 THR A 147 -0.871 6.261 -10.540 1.00 0.00 C ATOM 0 H THR A 147 -1.921 6.271 -8.463 1.00 0.00 H new ATOM 0 HA THR A 147 -2.381 3.707 -9.702 1.00 0.00 H new ATOM 0 HB THR A 147 -0.648 4.182 -10.936 1.00 0.00 H new ATOM 0 HG1 THR A 147 0.637 5.296 -8.609 1.00 0.00 H new ATOM 0 HG21 THR A 147 -0.072 6.576 -11.212 1.00 0.00 H new ATOM 0 HG22 THR A 147 -1.824 6.299 -11.067 1.00 0.00 H new ATOM 0 HG23 THR A 147 -0.905 6.929 -9.679 1.00 0.00 H new ATOM 1322 N THR A 148 -0.868 3.918 -6.857 1.00 0.00 N ATOM 1323 CA THR A 148 -0.310 3.134 -5.764 1.00 0.00 C ATOM 1324 C THR A 148 -1.270 2.013 -5.388 1.00 0.00 C ATOM 1325 O THR A 148 -0.853 0.921 -4.996 1.00 0.00 O ATOM 1326 CB THR A 148 -0.054 4.026 -4.546 1.00 0.00 C ATOM 1327 OG1 THR A 148 0.817 5.092 -4.875 1.00 0.00 O ATOM 1328 CG2 THR A 148 0.548 3.282 -3.374 1.00 0.00 C ATOM 0 H THR A 148 -1.089 4.884 -6.616 1.00 0.00 H new ATOM 0 HA THR A 148 0.637 2.703 -6.090 1.00 0.00 H new ATOM 0 HB THR A 148 -1.035 4.398 -4.252 1.00 0.00 H new ATOM 0 HG1 THR A 148 0.496 5.539 -5.686 1.00 0.00 H new ATOM 0 HG21 THR A 148 0.703 3.973 -2.545 1.00 0.00 H new ATOM 0 HG22 THR A 148 -0.129 2.487 -3.061 1.00 0.00 H new ATOM 0 HG23 THR A 148 1.504 2.849 -3.670 1.00 0.00 H new ATOM 1336 N ALA A 149 -2.562 2.298 -5.515 1.00 0.00 N ATOM 1337 CA ALA A 149 -3.599 1.331 -5.192 1.00 0.00 C ATOM 1338 C ALA A 149 -3.711 0.255 -6.269 1.00 0.00 C ATOM 1339 O ALA A 149 -3.760 -0.936 -5.964 1.00 0.00 O ATOM 1340 CB ALA A 149 -4.929 2.047 -5.002 1.00 0.00 C ATOM 0 H ALA A 149 -2.915 3.198 -5.842 1.00 0.00 H new ATOM 0 HA ALA A 149 -3.328 0.832 -4.262 1.00 0.00 H new ATOM 0 HB1 ALA A 149 -5.703 1.319 -4.760 1.00 0.00 H new ATOM 0 HB2 ALA A 149 -4.842 2.767 -4.189 1.00 0.00 H new ATOM 0 HB3 ALA A 149 -5.196 2.569 -5.921 1.00 0.00 H new ATOM 1346 N HIS A 150 -3.748 0.679 -7.530 1.00 0.00 N ATOM 1347 CA HIS A 150 -3.849 -0.258 -8.644 1.00 0.00 C ATOM 1348 C HIS A 150 -2.522 -0.961 -8.884 1.00 0.00 C ATOM 1349 O HIS A 150 -2.484 -2.161 -9.148 1.00 0.00 O ATOM 1350 CB HIS A 150 -4.286 0.465 -9.916 1.00 0.00 C ATOM 1351 CG HIS A 150 -5.701 0.177 -10.311 1.00 0.00 C ATOM 1352 ND1 HIS A 150 -6.695 -0.106 -9.398 1.00 0.00 N ATOM 1353 CD2 HIS A 150 -6.288 0.127 -11.530 1.00 0.00 C ATOM 1354 CE1 HIS A 150 -7.831 -0.316 -10.038 1.00 0.00 C ATOM 1355 NE2 HIS A 150 -7.611 -0.181 -11.333 1.00 0.00 N ATOM 0 H HIS A 150 -3.710 1.661 -7.804 1.00 0.00 H new ATOM 0 HA HIS A 150 -4.599 -1.005 -8.384 1.00 0.00 H new ATOM 0 HB2 HIS A 150 -4.169 1.539 -9.772 1.00 0.00 H new ATOM 0 HB3 HIS A 150 -3.624 0.179 -10.733 1.00 0.00 H new ATOM 0 HD2 HIS A 150 -5.805 0.298 -12.481 1.00 0.00 H new ATOM 0 HE1 HIS A 150 -8.779 -0.557 -9.580 1.00 0.00 H new ATOM 0 HE2 HIS A 150 -8.311 -0.288 -12.068 1.00 0.00 H new ATOM 1364 N ALA A 151 -1.431 -0.207 -8.792 1.00 0.00 N ATOM 1365 CA ALA A 151 -0.102 -0.772 -9.007 1.00 0.00 C ATOM 1366 C ALA A 151 0.090 -2.035 -8.175 1.00 0.00 C ATOM 1367 O ALA A 151 0.596 -3.044 -8.667 1.00 0.00 O ATOM 1368 CB ALA A 151 0.976 0.249 -8.670 1.00 0.00 C ATOM 0 H ALA A 151 -1.439 0.789 -8.572 1.00 0.00 H new ATOM 0 HA ALA A 151 -0.014 -1.036 -10.061 1.00 0.00 H new ATOM 0 HB1 ALA A 151 1.959 -0.191 -8.837 1.00 0.00 H new ATOM 0 HB2 ALA A 151 0.858 1.126 -9.307 1.00 0.00 H new ATOM 0 HB3 ALA A 151 0.883 0.544 -7.625 1.00 0.00 H new ATOM 1374 N LEU A 152 -0.328 -1.979 -6.918 1.00 0.00 N ATOM 1375 CA LEU A 152 -0.214 -3.122 -6.028 1.00 0.00 C ATOM 1376 C LEU A 152 -1.082 -4.269 -6.516 1.00 0.00 C ATOM 1377 O LEU A 152 -0.675 -5.429 -6.486 1.00 0.00 O ATOM 1378 CB LEU A 152 -0.622 -2.708 -4.621 1.00 0.00 C ATOM 1379 CG LEU A 152 0.529 -2.285 -3.712 1.00 0.00 C ATOM 1380 CD1 LEU A 152 1.660 -1.649 -4.515 1.00 0.00 C ATOM 1381 CD2 LEU A 152 0.031 -1.325 -2.646 1.00 0.00 C ATOM 0 H LEU A 152 -0.749 -1.153 -6.493 1.00 0.00 H new ATOM 0 HA LEU A 152 0.821 -3.464 -6.017 1.00 0.00 H new ATOM 0 HB2 LEU A 152 -1.330 -1.883 -4.693 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -1.148 -3.540 -4.152 1.00 0.00 H new ATOM 0 HG LEU A 152 0.923 -3.178 -3.227 1.00 0.00 H new ATOM 0 HD11 LEU A 152 2.466 -1.358 -3.841 1.00 0.00 H new ATOM 0 HD12 LEU A 152 2.038 -2.367 -5.243 1.00 0.00 H new ATOM 0 HD13 LEU A 152 1.286 -0.767 -5.035 1.00 0.00 H new ATOM 0 HD21 LEU A 152 0.862 -1.031 -2.004 1.00 0.00 H new ATOM 0 HD22 LEU A 152 -0.391 -0.440 -3.122 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -0.736 -1.814 -2.045 1.00 0.00 H new ATOM 1393 N LYS A 153 -2.274 -3.931 -6.982 1.00 0.00 N ATOM 1394 CA LYS A 153 -3.202 -4.930 -7.505 1.00 0.00 C ATOM 1395 C LYS A 153 -2.513 -5.793 -8.561 1.00 0.00 C ATOM 1396 O LYS A 153 -2.915 -6.929 -8.812 1.00 0.00 O ATOM 1397 CB LYS A 153 -4.435 -4.254 -8.109 1.00 0.00 C ATOM 1398 CG LYS A 153 -5.249 -3.457 -7.102 1.00 0.00 C ATOM 1399 CD LYS A 153 -6.738 -3.734 -7.240 1.00 0.00 C ATOM 1400 CE LYS A 153 -7.565 -2.731 -6.452 1.00 0.00 C ATOM 1401 NZ LYS A 153 -9.027 -2.948 -6.637 1.00 0.00 N1+ ATOM 0 H LYS A 153 -2.625 -2.974 -7.010 1.00 0.00 H new ATOM 0 HA LYS A 153 -3.520 -5.566 -6.679 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -4.117 -3.590 -8.913 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -5.073 -5.015 -8.558 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -4.924 -3.707 -6.092 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -5.062 -2.393 -7.243 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -7.021 -3.694 -8.292 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -6.956 -4.743 -6.889 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -7.318 -2.809 -5.393 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -7.306 -1.720 -6.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -9.555 -2.244 -6.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -9.268 -2.849 -7.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -9.280 -3.903 -6.313 1.00 0.00 H new ATOM 1415 N TYR A 154 -1.463 -5.241 -9.169 1.00 0.00 N ATOM 1416 CA TYR A 154 -0.701 -5.953 -10.191 1.00 0.00 C ATOM 1417 C TYR A 154 0.667 -6.368 -9.656 1.00 0.00 C ATOM 1418 O TYR A 154 1.587 -6.645 -10.426 1.00 0.00 O ATOM 1419 CB TYR A 154 -0.522 -5.074 -11.430 1.00 0.00 C ATOM 1420 CG TYR A 154 -1.800 -4.427 -11.910 1.00 0.00 C ATOM 1421 CD1 TYR A 154 -2.744 -5.153 -12.626 1.00 0.00 C ATOM 1422 CD2 TYR A 154 -2.063 -3.089 -11.648 1.00 0.00 C ATOM 1423 CE1 TYR A 154 -3.913 -4.562 -13.068 1.00 0.00 C ATOM 1424 CE2 TYR A 154 -3.228 -2.491 -12.085 1.00 0.00 C ATOM 1425 CZ TYR A 154 -4.150 -3.232 -12.794 1.00 0.00 C ATOM 1426 OH TYR A 154 -5.313 -2.639 -13.231 1.00 0.00 O ATOM 0 H TYR A 154 -1.121 -4.301 -8.970 1.00 0.00 H new ATOM 0 HA TYR A 154 -1.258 -6.849 -10.464 1.00 0.00 H new ATOM 0 HB2 TYR A 154 0.207 -4.295 -11.209 1.00 0.00 H new ATOM 0 HB3 TYR A 154 -0.107 -5.679 -12.236 1.00 0.00 H new ATOM 0 HD1 TYR A 154 -2.562 -6.196 -12.841 1.00 0.00 H new ATOM 0 HD2 TYR A 154 -1.343 -2.506 -11.093 1.00 0.00 H new ATOM 0 HE1 TYR A 154 -4.636 -5.139 -13.625 1.00 0.00 H new ATOM 0 HE2 TYR A 154 -3.416 -1.449 -11.873 1.00 0.00 H new ATOM 0 HH TYR A 154 -6.027 -3.309 -13.270 1.00 0.00 H new ATOM 1436 N SER A 155 0.791 -6.415 -8.333 1.00 0.00 N ATOM 1437 CA SER A 155 2.036 -6.799 -7.692 1.00 0.00 C ATOM 1438 C SER A 155 1.782 -7.927 -6.713 1.00 0.00 C ATOM 1439 O SER A 155 1.314 -7.707 -5.596 1.00 0.00 O ATOM 1440 CB SER A 155 2.658 -5.605 -6.971 1.00 0.00 C ATOM 1441 OG SER A 155 3.491 -4.865 -7.846 1.00 0.00 O ATOM 0 H SER A 155 0.037 -6.190 -7.684 1.00 0.00 H new ATOM 0 HA SER A 155 2.734 -7.140 -8.457 1.00 0.00 H new ATOM 0 HB2 SER A 155 1.871 -4.961 -6.580 1.00 0.00 H new ATOM 0 HB3 SER A 155 3.239 -5.953 -6.117 1.00 0.00 H new ATOM 0 HG SER A 155 3.006 -4.078 -8.171 1.00 0.00 H new ATOM 1447 N VAL A 156 2.083 -9.140 -7.145 1.00 0.00 N ATOM 1448 CA VAL A 156 1.880 -10.310 -6.318 1.00 0.00 C ATOM 1449 C VAL A 156 3.103 -10.592 -5.455 1.00 0.00 C ATOM 1450 O VAL A 156 3.141 -11.577 -4.717 1.00 0.00 O ATOM 1451 CB VAL A 156 1.542 -11.532 -7.187 1.00 0.00 C ATOM 1452 CG1 VAL A 156 2.759 -11.993 -7.977 1.00 0.00 C ATOM 1453 CG2 VAL A 156 0.982 -12.662 -6.335 1.00 0.00 C ATOM 0 H VAL A 156 2.470 -9.337 -8.068 1.00 0.00 H new ATOM 0 HA VAL A 156 1.039 -10.110 -5.655 1.00 0.00 H new ATOM 0 HB VAL A 156 0.774 -11.237 -7.902 1.00 0.00 H new ATOM 0 HG11 VAL A 156 2.493 -12.859 -8.583 1.00 0.00 H new ATOM 0 HG12 VAL A 156 3.098 -11.186 -8.626 1.00 0.00 H new ATOM 0 HG13 VAL A 156 3.559 -12.265 -7.288 1.00 0.00 H new ATOM 0 HG21 VAL A 156 0.750 -13.516 -6.971 1.00 0.00 H new ATOM 0 HG22 VAL A 156 1.720 -12.955 -5.589 1.00 0.00 H new ATOM 0 HG23 VAL A 156 0.074 -12.325 -5.835 1.00 0.00 H new ATOM 1463 N VAL A 157 4.097 -9.708 -5.535 1.00 0.00 N ATOM 1464 CA VAL A 157 5.304 -9.859 -4.744 1.00 0.00 C ATOM 1465 C VAL A 157 4.957 -9.794 -3.263 1.00 0.00 C ATOM 1466 O VAL A 157 5.559 -10.477 -2.437 1.00 0.00 O ATOM 1467 CB VAL A 157 6.340 -8.767 -5.074 1.00 0.00 C ATOM 1468 CG1 VAL A 157 7.635 -9.009 -4.312 1.00 0.00 C ATOM 1469 CG2 VAL A 157 6.595 -8.713 -6.572 1.00 0.00 C ATOM 0 H VAL A 157 4.085 -8.886 -6.138 1.00 0.00 H new ATOM 0 HA VAL A 157 5.743 -10.827 -4.986 1.00 0.00 H new ATOM 0 HB VAL A 157 5.939 -7.803 -4.761 1.00 0.00 H new ATOM 0 HG11 VAL A 157 8.354 -8.227 -4.559 1.00 0.00 H new ATOM 0 HG12 VAL A 157 7.435 -8.993 -3.241 1.00 0.00 H new ATOM 0 HG13 VAL A 157 8.045 -9.980 -4.590 1.00 0.00 H new ATOM 0 HG21 VAL A 157 7.329 -7.937 -6.788 1.00 0.00 H new ATOM 0 HG22 VAL A 157 6.975 -9.677 -6.911 1.00 0.00 H new ATOM 0 HG23 VAL A 157 5.664 -8.487 -7.092 1.00 0.00 H new ATOM 1479 N LEU A 158 3.956 -8.975 -2.948 1.00 0.00 N ATOM 1480 CA LEU A 158 3.488 -8.820 -1.581 1.00 0.00 C ATOM 1481 C LEU A 158 2.078 -9.385 -1.473 1.00 0.00 C ATOM 1482 O LEU A 158 1.424 -9.622 -2.489 1.00 0.00 O ATOM 1483 CB LEU A 158 3.484 -7.340 -1.173 1.00 0.00 C ATOM 1484 CG LEU A 158 4.854 -6.654 -1.102 1.00 0.00 C ATOM 1485 CD1 LEU A 158 5.642 -7.141 0.106 1.00 0.00 C ATOM 1486 CD2 LEU A 158 5.643 -6.883 -2.382 1.00 0.00 C ATOM 0 H LEU A 158 3.453 -8.407 -3.629 1.00 0.00 H new ATOM 0 HA LEU A 158 4.159 -9.358 -0.912 1.00 0.00 H new ATOM 0 HB2 LEU A 158 2.862 -6.791 -1.880 1.00 0.00 H new ATOM 0 HB3 LEU A 158 3.007 -7.255 -0.197 1.00 0.00 H new ATOM 0 HG LEU A 158 4.687 -5.583 -0.992 1.00 0.00 H new ATOM 0 HD11 LEU A 158 6.610 -6.640 0.135 1.00 0.00 H new ATOM 0 HD12 LEU A 158 5.089 -6.914 1.017 1.00 0.00 H new ATOM 0 HD13 LEU A 158 5.793 -8.218 0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 158 6.611 -6.387 -2.307 1.00 0.00 H new ATOM 0 HD22 LEU A 158 5.794 -7.952 -2.530 1.00 0.00 H new ATOM 0 HD23 LEU A 158 5.090 -6.474 -3.228 1.00 0.00 H new ATOM 1498 N GLU A 159 1.598 -9.587 -0.254 1.00 0.00 N ATOM 1499 CA GLU A 159 0.253 -10.107 -0.064 1.00 0.00 C ATOM 1500 C GLU A 159 -0.701 -8.950 0.203 1.00 0.00 C ATOM 1501 O GLU A 159 -0.636 -8.312 1.242 1.00 0.00 O ATOM 1502 CB GLU A 159 0.229 -11.116 1.093 1.00 0.00 C ATOM 1503 CG GLU A 159 -1.146 -11.323 1.707 1.00 0.00 C ATOM 1504 CD GLU A 159 -2.159 -11.845 0.706 1.00 0.00 C ATOM 1505 OE1 GLU A 159 -1.755 -12.581 -0.218 1.00 0.00 O ATOM 1506 OE2 GLU A 159 -3.357 -11.517 0.849 1.00 0.00 O1- ATOM 0 H GLU A 159 2.112 -9.401 0.607 1.00 0.00 H new ATOM 0 HA GLU A 159 -0.067 -10.627 -0.967 1.00 0.00 H new ATOM 0 HB2 GLU A 159 0.602 -12.075 0.733 1.00 0.00 H new ATOM 0 HB3 GLU A 159 0.915 -10.778 1.870 1.00 0.00 H new ATOM 0 HG2 GLU A 159 -1.067 -12.024 2.538 1.00 0.00 H new ATOM 0 HG3 GLU A 159 -1.502 -10.379 2.119 1.00 0.00 H new ATOM 1513 N LEU A 160 -1.572 -8.678 -0.754 1.00 0.00 N ATOM 1514 CA LEU A 160 -2.528 -7.584 -0.640 1.00 0.00 C ATOM 1515 C LEU A 160 -3.852 -8.068 -0.064 1.00 0.00 C ATOM 1516 O LEU A 160 -4.246 -9.208 -0.310 1.00 0.00 O ATOM 1517 CB LEU A 160 -2.787 -7.004 -2.033 1.00 0.00 C ATOM 1518 CG LEU A 160 -1.857 -5.886 -2.500 1.00 0.00 C ATOM 1519 CD1 LEU A 160 -2.556 -4.536 -2.422 1.00 0.00 C ATOM 1520 CD2 LEU A 160 -0.552 -5.893 -1.712 1.00 0.00 C ATOM 0 H LEU A 160 -1.638 -9.203 -1.626 1.00 0.00 H new ATOM 0 HA LEU A 160 -2.110 -6.830 0.027 1.00 0.00 H new ATOM 0 HB2 LEU A 160 -2.728 -7.818 -2.756 1.00 0.00 H new ATOM 0 HB3 LEU A 160 -3.810 -6.628 -2.059 1.00 0.00 H new ATOM 0 HG LEU A 160 -1.603 -6.066 -3.545 1.00 0.00 H new ATOM 0 HD11 LEU A 160 -1.876 -3.754 -2.759 1.00 0.00 H new ATOM 0 HD12 LEU A 160 -3.440 -4.547 -3.059 1.00 0.00 H new ATOM 0 HD13 LEU A 160 -2.853 -4.339 -1.392 1.00 0.00 H new ATOM 0 HD21 LEU A 160 0.091 -5.087 -2.065 1.00 0.00 H new ATOM 0 HD22 LEU A 160 -0.766 -5.749 -0.653 1.00 0.00 H new ATOM 0 HD23 LEU A 160 -0.047 -6.848 -1.853 1.00 0.00 H new ATOM 1532 N ASN A 161 -4.582 -7.200 0.655 1.00 0.00 N ATOM 1533 CA ASN A 161 -5.884 -7.629 1.157 1.00 0.00 C ATOM 1534 C ASN A 161 -6.742 -7.824 -0.059 1.00 0.00 C ATOM 1535 O ASN A 161 -6.464 -7.166 -1.061 1.00 0.00 O ATOM 1536 CB ASN A 161 -6.536 -6.603 2.087 1.00 0.00 C ATOM 1537 CG ASN A 161 -7.988 -6.932 2.388 1.00 0.00 C ATOM 1538 OD1 ASN A 161 -8.902 -6.314 1.843 1.00 0.00 O ATOM 1539 ND2 ASN A 161 -8.204 -7.910 3.260 1.00 0.00 N ATOM 0 H ASN A 161 -4.307 -6.246 0.890 1.00 0.00 H new ATOM 0 HA ASN A 161 -5.769 -8.536 1.751 1.00 0.00 H new ATOM 0 HB2 ASN A 161 -5.976 -6.556 3.021 1.00 0.00 H new ATOM 0 HB3 ASN A 161 -6.478 -5.615 1.631 1.00 0.00 H new ATOM 0 HD21 ASN A 161 -9.159 -8.176 3.502 1.00 0.00 H new ATOM 0 HD22 ASN A 161 -7.415 -8.395 3.688 1.00 0.00 H new ATOM 1546 N GLU A 162 -7.748 -8.712 0.076 1.00 0.00 N ATOM 1547 CA GLU A 162 -8.684 -9.142 -0.986 1.00 0.00 C ATOM 1548 C GLU A 162 -9.099 -8.081 -1.993 1.00 0.00 C ATOM 1549 O GLU A 162 -8.969 -8.303 -3.197 1.00 0.00 O ATOM 1550 CB GLU A 162 -9.938 -9.731 -0.341 1.00 0.00 C ATOM 1551 CG GLU A 162 -10.724 -8.731 0.490 1.00 0.00 C ATOM 1552 CD GLU A 162 -11.505 -9.389 1.610 1.00 0.00 C ATOM 1553 OE1 GLU A 162 -12.046 -10.492 1.388 1.00 0.00 O ATOM 1554 OE2 GLU A 162 -11.575 -8.802 2.711 1.00 0.00 O1- ATOM 0 H GLU A 162 -7.940 -9.170 0.967 1.00 0.00 H new ATOM 0 HA GLU A 162 -8.124 -9.875 -1.567 1.00 0.00 H new ATOM 0 HB2 GLU A 162 -10.585 -10.129 -1.123 1.00 0.00 H new ATOM 0 HB3 GLU A 162 -9.650 -10.570 0.292 1.00 0.00 H new ATOM 0 HG2 GLU A 162 -10.038 -7.997 0.913 1.00 0.00 H new ATOM 0 HG3 GLU A 162 -11.412 -8.188 -0.157 1.00 0.00 H new ATOM 1561 N ASP A 163 -9.564 -6.937 -1.545 1.00 0.00 N ATOM 1562 CA ASP A 163 -9.941 -5.892 -2.484 1.00 0.00 C ATOM 1563 C ASP A 163 -8.692 -5.107 -2.805 1.00 0.00 C ATOM 1564 O ASP A 163 -8.733 -3.901 -3.054 1.00 0.00 O ATOM 1565 CB ASP A 163 -11.016 -4.981 -1.887 1.00 0.00 C ATOM 1566 CG ASP A 163 -12.407 -5.576 -2.002 1.00 0.00 C ATOM 1567 OD1 ASP A 163 -12.587 -6.745 -1.601 1.00 0.00 O ATOM 1568 OD2 ASP A 163 -13.314 -4.872 -2.492 1.00 0.00 O1- ATOM 0 H ASP A 163 -9.690 -6.704 -0.560 1.00 0.00 H new ATOM 0 HA ASP A 163 -10.363 -6.328 -3.389 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -10.789 -4.795 -0.837 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -10.993 -4.016 -2.394 1.00 0.00 H new ATOM 1573 N HIS A 164 -7.563 -5.816 -2.713 1.00 0.00 N ATOM 1574 CA HIS A 164 -6.256 -5.241 -2.896 1.00 0.00 C ATOM 1575 C HIS A 164 -6.208 -3.903 -2.214 1.00 0.00 C ATOM 1576 O HIS A 164 -5.506 -2.978 -2.623 1.00 0.00 O ATOM 1577 CB HIS A 164 -5.865 -5.184 -4.361 1.00 0.00 C ATOM 1578 CG HIS A 164 -5.762 -6.561 -4.936 1.00 0.00 C ATOM 1579 ND1 HIS A 164 -5.611 -6.820 -6.281 1.00 0.00 N ATOM 1580 CD2 HIS A 164 -5.792 -7.769 -4.317 1.00 0.00 C ATOM 1581 CE1 HIS A 164 -5.552 -8.129 -6.469 1.00 0.00 C ATOM 1582 NE2 HIS A 164 -5.658 -8.726 -5.294 1.00 0.00 N ATOM 0 H HIS A 164 -7.546 -6.815 -2.507 1.00 0.00 H new ATOM 0 HA HIS A 164 -5.507 -5.881 -2.430 1.00 0.00 H new ATOM 0 HB2 HIS A 164 -6.604 -4.607 -4.917 1.00 0.00 H new ATOM 0 HB3 HIS A 164 -4.911 -4.668 -4.468 1.00 0.00 H new ATOM 0 HD2 HIS A 164 -5.901 -7.945 -3.257 1.00 0.00 H new ATOM 0 HE1 HIS A 164 -5.437 -8.625 -7.421 1.00 0.00 H new ATOM 0 HE2 HIS A 164 -5.643 -9.734 -5.138 1.00 0.00 H new ATOM 1591 N ARG A 165 -6.970 -3.846 -1.130 1.00 0.00 N ATOM 1592 CA ARG A 165 -7.052 -2.682 -0.315 1.00 0.00 C ATOM 1593 C ARG A 165 -5.946 -2.719 0.701 1.00 0.00 C ATOM 1594 O ARG A 165 -5.658 -1.701 1.331 1.00 0.00 O ATOM 1595 CB ARG A 165 -8.414 -2.591 0.376 1.00 0.00 C ATOM 1596 CG ARG A 165 -9.545 -2.195 -0.559 1.00 0.00 C ATOM 1597 CD ARG A 165 -9.211 -0.936 -1.342 1.00 0.00 C ATOM 1598 NE ARG A 165 -10.330 0.002 -1.379 1.00 0.00 N ATOM 1599 CZ ARG A 165 -10.821 0.613 -0.303 1.00 0.00 C ATOM 1600 NH1 ARG A 165 -10.292 0.391 0.894 1.00 0.00 N1+ ATOM 1601 NH2 ARG A 165 -11.842 1.450 -0.425 1.00 0.00 N ATOM 0 H ARG A 165 -7.546 -4.622 -0.805 1.00 0.00 H new ATOM 0 HA ARG A 165 -6.943 -1.797 -0.942 1.00 0.00 H new ATOM 0 HB2 ARG A 165 -8.648 -3.555 0.828 1.00 0.00 H new ATOM 0 HB3 ARG A 165 -8.353 -1.865 1.187 1.00 0.00 H new ATOM 0 HG2 ARG A 165 -9.747 -3.012 -1.252 1.00 0.00 H new ATOM 0 HG3 ARG A 165 -10.455 -2.034 0.018 1.00 0.00 H new ATOM 0 HD2 ARG A 165 -8.345 -0.449 -0.893 1.00 0.00 H new ATOM 0 HD3 ARG A 165 -8.932 -1.206 -2.360 1.00 0.00 H new ATOM 0 HE ARG A 165 -10.760 0.201 -2.282 1.00 0.00 H new ATOM 0 HH11 ARG A 165 -9.505 -0.251 0.993 1.00 0.00 H new ATOM 0 HH12 ARG A 165 -10.672 0.862 1.715 1.00 0.00 H new ATOM 0 HH21 ARG A 165 -12.251 1.625 -1.343 1.00 0.00 H new ATOM 0 HH22 ARG A 165 -12.219 1.918 0.399 1.00 0.00 H new ATOM 1615 N LYS A 166 -5.289 -3.882 0.872 1.00 0.00 N ATOM 1616 CA LYS A 166 -4.197 -3.896 1.854 1.00 0.00 C ATOM 1617 C LYS A 166 -2.961 -4.589 1.335 1.00 0.00 C ATOM 1618 O LYS A 166 -2.949 -5.111 0.226 1.00 0.00 O ATOM 1619 CB LYS A 166 -4.632 -4.508 3.185 1.00 0.00 C ATOM 1620 CG LYS A 166 -5.751 -3.735 3.865 1.00 0.00 C ATOM 1621 CD LYS A 166 -6.873 -4.648 4.331 1.00 0.00 C ATOM 1622 CE LYS A 166 -7.655 -4.029 5.478 1.00 0.00 C ATOM 1623 NZ LYS A 166 -8.474 -2.868 5.031 1.00 0.00 N1+ ATOM 0 H LYS A 166 -5.476 -4.758 0.385 1.00 0.00 H new ATOM 0 HA LYS A 166 -3.940 -2.851 2.028 1.00 0.00 H new ATOM 0 HB2 LYS A 166 -4.959 -5.534 3.016 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -3.773 -4.554 3.854 1.00 0.00 H new ATOM 0 HG2 LYS A 166 -5.348 -3.191 4.719 1.00 0.00 H new ATOM 0 HG3 LYS A 166 -6.151 -2.993 3.174 1.00 0.00 H new ATOM 0 HD2 LYS A 166 -7.546 -4.852 3.499 1.00 0.00 H new ATOM 0 HD3 LYS A 166 -6.457 -5.605 4.647 1.00 0.00 H new ATOM 0 HE2 LYS A 166 -8.306 -4.783 5.922 1.00 0.00 H new ATOM 0 HE3 LYS A 166 -6.963 -3.707 6.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 -8.991 -2.475 5.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 -7.851 -2.137 4.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 -9.152 -3.180 4.307 1.00 0.00 H new ATOM 1637 N VAL A 167 -1.921 -4.582 2.153 1.00 0.00 N ATOM 1638 CA VAL A 167 -0.664 -5.209 1.797 1.00 0.00 C ATOM 1639 C VAL A 167 0.022 -5.765 3.032 1.00 0.00 C ATOM 1640 O VAL A 167 0.738 -5.068 3.746 1.00 0.00 O ATOM 1641 CB VAL A 167 0.266 -4.241 1.039 1.00 0.00 C ATOM 1642 CG1 VAL A 167 0.391 -2.908 1.766 1.00 0.00 C ATOM 1643 CG2 VAL A 167 1.640 -4.857 0.811 1.00 0.00 C ATOM 0 H VAL A 167 -1.926 -4.145 3.074 1.00 0.00 H new ATOM 0 HA VAL A 167 -0.887 -6.035 1.122 1.00 0.00 H new ATOM 0 HB VAL A 167 -0.187 -4.054 0.065 1.00 0.00 H new ATOM 0 HG11 VAL A 167 1.053 -2.249 1.205 1.00 0.00 H new ATOM 0 HG12 VAL A 167 -0.593 -2.447 1.852 1.00 0.00 H new ATOM 0 HG13 VAL A 167 0.802 -3.074 2.762 1.00 0.00 H new ATOM 0 HG21 VAL A 167 2.272 -4.149 0.274 1.00 0.00 H new ATOM 0 HG22 VAL A 167 2.096 -5.094 1.772 1.00 0.00 H new ATOM 0 HG23 VAL A 167 1.537 -5.769 0.223 1.00 0.00 H new ATOM 1653 N ARG A 168 -0.218 -7.040 3.267 1.00 0.00 N ATOM 1654 CA ARG A 168 0.357 -7.740 4.409 1.00 0.00 C ATOM 1655 C ARG A 168 1.516 -8.625 3.966 1.00 0.00 C ATOM 1656 O ARG A 168 1.650 -8.941 2.785 1.00 0.00 O ATOM 1657 CB ARG A 168 -0.709 -8.592 5.100 1.00 0.00 C ATOM 1658 CG ARG A 168 -0.391 -8.908 6.553 1.00 0.00 C ATOM 1659 CD ARG A 168 -0.038 -10.375 6.741 1.00 0.00 C ATOM 1660 NE ARG A 168 -0.283 -10.827 8.108 1.00 0.00 N ATOM 1661 CZ ARG A 168 -1.486 -11.145 8.580 1.00 0.00 C ATOM 1662 NH1 ARG A 168 -2.556 -11.062 7.799 1.00 0.00 N1+ ATOM 1663 NH2 ARG A 168 -1.621 -11.547 9.836 1.00 0.00 N ATOM 0 H ARG A 168 -0.814 -7.622 2.677 1.00 0.00 H new ATOM 0 HA ARG A 168 0.731 -6.997 5.113 1.00 0.00 H new ATOM 0 HB2 ARG A 168 -1.665 -8.071 5.051 1.00 0.00 H new ATOM 0 HB3 ARG A 168 -0.827 -9.527 4.551 1.00 0.00 H new ATOM 0 HG2 ARG A 168 0.440 -8.287 6.888 1.00 0.00 H new ATOM 0 HG3 ARG A 168 -1.249 -8.656 7.177 1.00 0.00 H new ATOM 0 HD2 ARG A 168 -0.624 -10.980 6.049 1.00 0.00 H new ATOM 0 HD3 ARG A 168 1.011 -10.530 6.491 1.00 0.00 H new ATOM 0 HE ARG A 168 0.515 -10.903 8.738 1.00 0.00 H new ATOM 0 HH11 ARG A 168 -2.459 -10.753 6.832 1.00 0.00 H new ATOM 0 HH12 ARG A 168 -3.476 -11.307 8.166 1.00 0.00 H new ATOM 0 HH21 ARG A 168 -0.803 -11.613 10.441 1.00 0.00 H new ATOM 0 HH22 ARG A 168 -2.543 -11.791 10.197 1.00 0.00 H new ATOM 1677 N ARG A 169 2.355 -9.021 4.917 1.00 0.00 N ATOM 1678 CA ARG A 169 3.501 -9.872 4.616 1.00 0.00 C ATOM 1679 C ARG A 169 3.269 -11.293 5.118 1.00 0.00 C ATOM 1680 O ARG A 169 2.986 -11.509 6.297 1.00 0.00 O ATOM 1681 CB ARG A 169 4.789 -9.303 5.229 1.00 0.00 C ATOM 1682 CG ARG A 169 4.558 -8.300 6.350 1.00 0.00 C ATOM 1683 CD ARG A 169 4.052 -8.978 7.612 1.00 0.00 C ATOM 1684 NE ARG A 169 3.692 -8.010 8.647 1.00 0.00 N ATOM 1685 CZ ARG A 169 3.497 -8.329 9.925 1.00 0.00 C ATOM 1686 NH1 ARG A 169 3.626 -9.587 10.330 1.00 0.00 N1+ ATOM 1687 NH2 ARG A 169 3.173 -7.388 10.800 1.00 0.00 N ATOM 0 H ARG A 169 2.264 -8.767 5.901 1.00 0.00 H new ATOM 0 HA ARG A 169 3.616 -9.897 3.532 1.00 0.00 H new ATOM 0 HB2 ARG A 169 5.390 -10.127 5.613 1.00 0.00 H new ATOM 0 HB3 ARG A 169 5.371 -8.823 4.442 1.00 0.00 H new ATOM 0 HG2 ARG A 169 5.488 -7.775 6.566 1.00 0.00 H new ATOM 0 HG3 ARG A 169 3.837 -7.550 6.025 1.00 0.00 H new ATOM 0 HD2 ARG A 169 3.183 -9.591 7.371 1.00 0.00 H new ATOM 0 HD3 ARG A 169 4.820 -9.650 7.995 1.00 0.00 H new ATOM 0 HE ARG A 169 3.584 -7.033 8.374 1.00 0.00 H new ATOM 0 HH11 ARG A 169 3.876 -10.315 9.661 1.00 0.00 H new ATOM 0 HH12 ARG A 169 3.475 -9.825 11.310 1.00 0.00 H new ATOM 0 HH21 ARG A 169 3.073 -6.420 10.494 1.00 0.00 H new ATOM 0 HH22 ARG A 169 3.023 -7.632 11.779 1.00 0.00 H new ATOM 1701 N THR A 170 3.393 -12.260 4.215 1.00 0.00 N ATOM 1702 CA THR A 170 3.198 -13.661 4.565 1.00 0.00 C ATOM 1703 C THR A 170 4.486 -14.275 5.108 1.00 0.00 C ATOM 1704 O THR A 170 4.457 -15.311 5.774 1.00 0.00 O ATOM 1705 CB THR A 170 2.721 -14.450 3.344 1.00 0.00 C ATOM 1706 OG1 THR A 170 3.757 -14.570 2.387 1.00 0.00 O ATOM 1707 CG2 THR A 170 1.529 -13.821 2.655 1.00 0.00 C ATOM 0 H THR A 170 3.628 -12.099 3.236 1.00 0.00 H new ATOM 0 HA THR A 170 2.438 -13.711 5.345 1.00 0.00 H new ATOM 0 HB THR A 170 2.426 -15.426 3.728 1.00 0.00 H new ATOM 0 HG1 THR A 170 3.432 -15.079 1.615 1.00 0.00 H new ATOM 0 HG21 THR A 170 1.241 -14.430 1.798 1.00 0.00 H new ATOM 0 HG22 THR A 170 0.695 -13.761 3.354 1.00 0.00 H new ATOM 0 HG23 THR A 170 1.792 -12.819 2.316 1.00 0.00 H new ATOM 1715 N THR A 171 5.616 -13.633 4.820 1.00 0.00 N ATOM 1716 CA THR A 171 6.908 -14.125 5.281 1.00 0.00 C ATOM 1717 C THR A 171 7.828 -12.970 5.671 1.00 0.00 C ATOM 1718 O THR A 171 8.851 -12.735 5.027 1.00 0.00 O ATOM 1719 CB THR A 171 7.568 -14.971 4.191 1.00 0.00 C ATOM 1720 OG1 THR A 171 8.846 -15.418 4.608 1.00 0.00 O ATOM 1721 CG2 THR A 171 7.744 -14.226 2.886 1.00 0.00 C ATOM 0 H THR A 171 5.661 -12.774 4.271 1.00 0.00 H new ATOM 0 HA THR A 171 6.740 -14.742 6.164 1.00 0.00 H new ATOM 0 HB THR A 171 6.893 -15.811 4.025 1.00 0.00 H new ATOM 0 HG1 THR A 171 9.420 -14.645 4.789 1.00 0.00 H new ATOM 0 HG21 THR A 171 8.217 -14.881 2.154 1.00 0.00 H new ATOM 0 HG22 THR A 171 6.770 -13.910 2.513 1.00 0.00 H new ATOM 0 HG23 THR A 171 8.372 -13.350 3.049 1.00 0.00 H new ATOM 1729 N PRO A 172 7.482 -12.233 6.740 1.00 0.00 N ATOM 1730 CA PRO A 172 8.289 -11.105 7.214 1.00 0.00 C ATOM 1731 C PRO A 172 9.612 -11.567 7.813 1.00 0.00 C ATOM 1732 O PRO A 172 9.690 -12.643 8.407 1.00 0.00 O ATOM 1733 CB PRO A 172 7.412 -10.460 8.287 1.00 0.00 C ATOM 1734 CG PRO A 172 6.527 -11.559 8.766 1.00 0.00 C ATOM 1735 CD PRO A 172 6.283 -12.444 7.574 1.00 0.00 C ATOM 0 HA PRO A 172 8.557 -10.424 6.406 1.00 0.00 H new ATOM 0 HB2 PRO A 172 8.015 -10.055 9.100 1.00 0.00 H new ATOM 0 HB3 PRO A 172 6.831 -9.633 7.879 1.00 0.00 H new ATOM 0 HG2 PRO A 172 6.999 -12.116 9.575 1.00 0.00 H new ATOM 0 HG3 PRO A 172 5.590 -11.163 9.156 1.00 0.00 H new ATOM 0 HD2 PRO A 172 6.175 -13.489 7.865 1.00 0.00 H new ATOM 0 HD3 PRO A 172 5.372 -12.164 7.046 1.00 0.00 H new