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 X(o=0,f=0.1) USER MOD Set 1.2: A 154 TYR OH : rot 30:sc= 0 USER MOD Set 2.1: A 153 LYS NZ :NH3+ -132:sc= 0.938 (180deg=-0.0938) USER MOD Set 2.2: A 164 HIS : no HD1:sc= 0.672 K(o=1.6,f=-6.7) USER MOD Set 3.1: A 134 SER OG : rot -56:sc= 1.23 USER MOD Set 3.2: A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -164:sc= -0.159 (180deg=-0.602) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 103 TYR OH : rot -146:sc= -2.12 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -3.06 K(o=-3.1,f=-10!) 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= -0.364 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 THR OG1 : rot -77: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 140 HIS : no HD1:sc= -0.0494 X(o=-0.049,f=0) USER MOD Single : A 142 THR OG1 : rot 180:sc= -0.736 USER MOD Single : A 147 THR OG1 : rot -48:sc= -0.574 USER MOD Single : A 148 THR OG1 : rot 160:sc= -1.04 USER MOD Single : A 155 SER OG : rot 100:sc= -3.42! USER MOD Single : A 161 ASN : amide:sc= -5.83 K(o=-5.8,f=-16!) USER MOD Single : A 166 LYS NZ :NH3+ 154:sc= 0 (180deg=-0.55) USER MOD Single : A 170 THR OG1 : rot 180:sc= 0 USER MOD Single : A 171 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 257 N PRO A 87 -6.578 3.745 -15.555 1.00 0.00 N ATOM 258 CA PRO A 87 -5.528 2.739 -15.373 1.00 0.00 C ATOM 259 C PRO A 87 -4.137 3.273 -15.718 1.00 0.00 C ATOM 260 O PRO A 87 -3.953 3.929 -16.743 1.00 0.00 O ATOM 261 CB PRO A 87 -5.933 1.638 -16.353 1.00 0.00 C ATOM 262 CG PRO A 87 -6.659 2.354 -17.440 1.00 0.00 C ATOM 263 CD PRO A 87 -7.364 3.511 -16.783 1.00 0.00 C ATOM 0 HA PRO A 87 -5.453 2.409 -14.337 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -5.061 1.110 -16.739 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -6.570 0.894 -15.874 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -5.967 2.704 -18.206 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -7.372 1.693 -17.933 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -7.375 4.391 -17.426 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -8.402 3.270 -16.555 1.00 0.00 H new ATOM 271 N PRO A 88 -3.134 2.996 -14.863 1.00 0.00 N ATOM 272 CA PRO A 88 -1.760 3.447 -15.078 1.00 0.00 C ATOM 273 C PRO A 88 -0.960 2.476 -15.945 1.00 0.00 C ATOM 274 O PRO A 88 -1.532 1.631 -16.633 1.00 0.00 O ATOM 275 CB PRO A 88 -1.206 3.483 -13.657 1.00 0.00 C ATOM 276 CG PRO A 88 -1.904 2.366 -12.957 1.00 0.00 C ATOM 277 CD PRO A 88 -3.258 2.220 -13.613 1.00 0.00 C ATOM 0 HA PRO A 88 -1.705 4.399 -15.606 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -0.125 3.343 -13.649 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -1.407 4.440 -13.176 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -1.333 1.441 -13.039 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.010 2.582 -11.894 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -3.494 1.175 -13.814 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -4.053 2.610 -12.978 1.00 0.00 H new ATOM 285 N ASP A 89 0.365 2.595 -15.902 1.00 0.00 N ATOM 286 CA ASP A 89 1.235 1.733 -16.669 1.00 0.00 C ATOM 287 C ASP A 89 2.131 0.929 -15.740 1.00 0.00 C ATOM 288 O ASP A 89 2.555 1.417 -14.692 1.00 0.00 O ATOM 289 CB ASP A 89 2.085 2.553 -17.640 1.00 0.00 C ATOM 290 CG ASP A 89 1.242 3.299 -18.658 1.00 0.00 C ATOM 291 OD1 ASP A 89 0.535 4.248 -18.262 1.00 0.00 O ATOM 292 OD2 ASP A 89 1.291 2.932 -19.851 1.00 0.00 O1- ATOM 0 H ASP A 89 0.854 3.289 -15.337 1.00 0.00 H new ATOM 0 HA ASP A 89 0.617 1.045 -17.246 1.00 0.00 H new ATOM 0 HB2 ASP A 89 2.687 3.267 -17.078 1.00 0.00 H new ATOM 0 HB3 ASP A 89 2.778 1.891 -18.160 1.00 0.00 H new ATOM 297 N GLU A 90 2.419 -0.304 -16.129 1.00 0.00 N ATOM 298 CA GLU A 90 3.263 -1.179 -15.338 1.00 0.00 C ATOM 299 C GLU A 90 4.596 -0.513 -15.011 1.00 0.00 C ATOM 300 O GLU A 90 5.280 -0.910 -14.067 1.00 0.00 O ATOM 301 CB GLU A 90 3.506 -2.485 -16.083 1.00 0.00 C ATOM 302 CG GLU A 90 3.767 -2.308 -17.570 1.00 0.00 C ATOM 303 CD GLU A 90 4.570 -3.450 -18.162 1.00 0.00 C ATOM 304 OE1 GLU A 90 3.954 -4.438 -18.612 1.00 0.00 O ATOM 305 OE2 GLU A 90 5.815 -3.356 -18.173 1.00 0.00 O1- ATOM 0 H GLU A 90 2.076 -0.721 -16.995 1.00 0.00 H new ATOM 0 HA GLU A 90 2.747 -1.387 -14.401 1.00 0.00 H new ATOM 0 HB2 GLU A 90 4.358 -2.995 -15.633 1.00 0.00 H new ATOM 0 HB3 GLU A 90 2.640 -3.133 -15.951 1.00 0.00 H new ATOM 0 HG2 GLU A 90 2.815 -2.228 -18.095 1.00 0.00 H new ATOM 0 HG3 GLU A 90 4.300 -1.371 -17.732 1.00 0.00 H new ATOM 312 N GLU A 91 4.959 0.504 -15.787 1.00 0.00 N ATOM 313 CA GLU A 91 6.206 1.222 -15.563 1.00 0.00 C ATOM 314 C GLU A 91 6.258 1.744 -14.137 1.00 0.00 C ATOM 315 O GLU A 91 7.211 1.494 -13.395 1.00 0.00 O ATOM 316 CB GLU A 91 6.327 2.389 -16.542 1.00 0.00 C ATOM 317 CG GLU A 91 6.141 1.988 -17.996 1.00 0.00 C ATOM 318 CD GLU A 91 7.450 1.942 -18.760 1.00 0.00 C ATOM 319 OE1 GLU A 91 8.199 2.940 -18.715 1.00 0.00 O1- ATOM 320 OE2 GLU A 91 7.726 0.907 -19.403 1.00 0.00 O ATOM 0 H GLU A 91 4.408 0.847 -16.574 1.00 0.00 H new ATOM 0 HA GLU A 91 7.037 0.535 -15.724 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.586 3.146 -16.285 1.00 0.00 H new ATOM 0 HB3 GLU A 91 7.307 2.851 -16.424 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.664 1.009 -18.041 1.00 0.00 H new ATOM 0 HG3 GLU A 91 5.466 2.694 -18.480 1.00 0.00 H new ATOM 327 N LEU A 92 5.213 2.465 -13.760 1.00 0.00 N ATOM 328 CA LEU A 92 5.114 3.027 -12.426 1.00 0.00 C ATOM 329 C LEU A 92 4.753 1.948 -11.408 1.00 0.00 C ATOM 330 O LEU A 92 5.060 2.074 -10.224 1.00 0.00 O ATOM 331 CB LEU A 92 4.075 4.145 -12.407 1.00 0.00 C ATOM 332 CG LEU A 92 4.153 5.091 -11.207 1.00 0.00 C ATOM 333 CD1 LEU A 92 3.687 4.391 -9.942 1.00 0.00 C ATOM 334 CD2 LEU A 92 5.569 5.622 -11.034 1.00 0.00 C ATOM 0 H LEU A 92 4.419 2.674 -14.365 1.00 0.00 H new ATOM 0 HA LEU A 92 6.084 3.440 -12.151 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.181 4.732 -13.319 1.00 0.00 H new ATOM 0 HB3 LEU A 92 3.082 3.696 -12.431 1.00 0.00 H new ATOM 0 HG LEU A 92 3.491 5.936 -11.395 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.750 5.081 -9.100 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.655 4.064 -10.066 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.321 3.526 -9.750 1.00 0.00 H new ATOM 0 HD21 LEU A 92 5.604 6.293 -10.176 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.253 4.789 -10.871 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.866 6.165 -11.931 1.00 0.00 H new ATOM 346 N ILE A 93 4.107 0.880 -11.875 1.00 0.00 N ATOM 347 CA ILE A 93 3.720 -0.211 -10.996 1.00 0.00 C ATOM 348 C ILE A 93 4.946 -0.906 -10.416 1.00 0.00 C ATOM 349 O ILE A 93 5.010 -1.173 -9.217 1.00 0.00 O ATOM 350 CB ILE A 93 2.849 -1.237 -11.742 1.00 0.00 C ATOM 351 CG1 ILE A 93 1.585 -0.555 -12.269 1.00 0.00 C ATOM 352 CG2 ILE A 93 2.494 -2.408 -10.835 1.00 0.00 C ATOM 353 CD1 ILE A 93 0.693 -1.472 -13.073 1.00 0.00 C ATOM 0 H ILE A 93 3.844 0.752 -12.852 1.00 0.00 H new ATOM 0 HA ILE A 93 3.139 0.218 -10.180 1.00 0.00 H new ATOM 0 HB ILE A 93 3.415 -1.631 -12.586 1.00 0.00 H new ATOM 0 HG12 ILE A 93 1.019 -0.158 -11.427 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.872 0.294 -12.889 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.878 -3.120 -11.384 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.408 -2.900 -10.502 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.942 -2.043 -9.969 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -0.183 -0.920 -13.414 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.242 -1.850 -13.935 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.375 -2.308 -12.450 1.00 0.00 H new ATOM 365 N LYS A 94 5.919 -1.192 -11.273 1.00 0.00 N ATOM 366 CA LYS A 94 7.142 -1.849 -10.836 1.00 0.00 C ATOM 367 C LYS A 94 7.919 -0.948 -9.885 1.00 0.00 C ATOM 368 O LYS A 94 8.545 -1.422 -8.936 1.00 0.00 O ATOM 369 CB LYS A 94 8.012 -2.220 -12.039 1.00 0.00 C ATOM 370 CG LYS A 94 7.276 -3.028 -13.097 1.00 0.00 C ATOM 371 CD LYS A 94 8.156 -4.126 -13.671 1.00 0.00 C ATOM 372 CE LYS A 94 7.405 -4.962 -14.696 1.00 0.00 C ATOM 373 NZ LYS A 94 6.053 -5.354 -14.210 1.00 0.00 N1+ ATOM 0 H LYS A 94 5.884 -0.980 -12.270 1.00 0.00 H new ATOM 0 HA LYS A 94 6.870 -2.763 -10.308 1.00 0.00 H new ATOM 0 HB2 LYS A 94 8.397 -1.307 -12.494 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.873 -2.791 -11.692 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.380 -3.469 -12.661 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.948 -2.366 -13.899 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.036 -3.683 -14.136 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.511 -4.768 -12.865 1.00 0.00 H new ATOM 0 HE2 LYS A 94 7.308 -4.398 -15.624 1.00 0.00 H new ATOM 0 HE3 LYS A 94 7.982 -5.858 -14.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 5.684 -6.129 -14.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 6.118 -5.669 -13.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 5.412 -4.538 -14.272 1.00 0.00 H new ATOM 387 N LYS A 95 7.867 0.356 -10.136 1.00 0.00 N ATOM 388 CA LYS A 95 8.557 1.320 -9.287 1.00 0.00 C ATOM 389 C LYS A 95 8.003 1.262 -7.867 1.00 0.00 C ATOM 390 O LYS A 95 8.743 1.043 -6.907 1.00 0.00 O ATOM 391 CB LYS A 95 8.408 2.733 -9.853 1.00 0.00 C ATOM 392 CG LYS A 95 9.556 3.151 -10.758 1.00 0.00 C ATOM 393 CD LYS A 95 9.984 4.585 -10.491 1.00 0.00 C ATOM 394 CE LYS A 95 8.948 5.578 -10.990 1.00 0.00 C ATOM 395 NZ LYS A 95 8.769 6.717 -10.047 1.00 0.00 N1+ ATOM 0 H LYS A 95 7.357 0.768 -10.917 1.00 0.00 H new ATOM 0 HA LYS A 95 9.616 1.065 -9.263 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.475 2.795 -10.412 1.00 0.00 H new ATOM 0 HB3 LYS A 95 8.332 3.440 -9.027 1.00 0.00 H new ATOM 0 HG2 LYS A 95 10.403 2.483 -10.604 1.00 0.00 H new ATOM 0 HG3 LYS A 95 9.254 3.049 -11.800 1.00 0.00 H new ATOM 0 HD2 LYS A 95 10.139 4.726 -9.421 1.00 0.00 H new ATOM 0 HD3 LYS A 95 10.939 4.778 -10.980 1.00 0.00 H new ATOM 0 HE2 LYS A 95 9.251 5.959 -11.965 1.00 0.00 H new ATOM 0 HE3 LYS A 95 7.994 5.069 -11.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 8.054 7.371 -10.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 8.455 6.357 -9.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 9.673 7.219 -9.934 1.00 0.00 H new ATOM 409 N LEU A 96 6.693 1.454 -7.744 1.00 0.00 N ATOM 410 CA LEU A 96 6.024 1.420 -6.450 1.00 0.00 C ATOM 411 C LEU A 96 6.317 0.119 -5.711 1.00 0.00 C ATOM 412 O LEU A 96 6.884 0.127 -4.619 1.00 0.00 O ATOM 413 CB LEU A 96 4.515 1.578 -6.640 1.00 0.00 C ATOM 414 CG LEU A 96 3.937 2.867 -6.082 1.00 0.00 C ATOM 415 CD1 LEU A 96 2.827 3.395 -6.978 1.00 0.00 C ATOM 416 CD2 LEU A 96 3.432 2.649 -4.666 1.00 0.00 C ATOM 0 H LEU A 96 6.071 1.636 -8.532 1.00 0.00 H new ATOM 0 HA LEU A 96 6.406 2.246 -5.850 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.289 1.526 -7.705 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.012 0.735 -6.166 1.00 0.00 H new ATOM 0 HG LEU A 96 4.728 3.616 -6.054 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.429 4.319 -6.558 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.225 3.591 -7.973 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.031 2.654 -7.046 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.021 3.581 -4.279 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.656 1.884 -4.670 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.257 2.325 -4.031 1.00 0.00 H new ATOM 428 N VAL A 97 5.918 -0.999 -6.312 1.00 0.00 N ATOM 429 CA VAL A 97 6.129 -2.312 -5.713 1.00 0.00 C ATOM 430 C VAL A 97 7.559 -2.466 -5.200 1.00 0.00 C ATOM 431 O VAL A 97 7.797 -3.115 -4.182 1.00 0.00 O ATOM 432 CB VAL A 97 5.828 -3.441 -6.718 1.00 0.00 C ATOM 433 CG1 VAL A 97 6.786 -3.381 -7.896 1.00 0.00 C ATOM 434 CG2 VAL A 97 5.899 -4.797 -6.032 1.00 0.00 C ATOM 0 H VAL A 97 5.446 -1.021 -7.216 1.00 0.00 H new ATOM 0 HA VAL A 97 5.439 -2.389 -4.873 1.00 0.00 H new ATOM 0 HB VAL A 97 4.816 -3.303 -7.098 1.00 0.00 H new ATOM 0 HG11 VAL A 97 6.556 -4.187 -8.593 1.00 0.00 H new ATOM 0 HG12 VAL A 97 6.680 -2.422 -8.402 1.00 0.00 H new ATOM 0 HG13 VAL A 97 7.810 -3.492 -7.538 1.00 0.00 H new ATOM 0 HG21 VAL A 97 5.684 -5.583 -6.756 1.00 0.00 H new ATOM 0 HG22 VAL A 97 6.898 -4.945 -5.622 1.00 0.00 H new ATOM 0 HG23 VAL A 97 5.166 -4.836 -5.226 1.00 0.00 H new ATOM 444 N ASP A 98 8.504 -1.861 -5.910 1.00 0.00 N ATOM 445 CA ASP A 98 9.908 -1.928 -5.524 1.00 0.00 C ATOM 446 C ASP A 98 10.122 -1.277 -4.163 1.00 0.00 C ATOM 447 O ASP A 98 10.996 -1.685 -3.396 1.00 0.00 O ATOM 448 CB ASP A 98 10.782 -1.243 -6.576 1.00 0.00 C ATOM 449 CG ASP A 98 12.259 -1.509 -6.361 1.00 0.00 C ATOM 450 OD1 ASP A 98 12.628 -2.686 -6.164 1.00 0.00 O1- ATOM 451 OD2 ASP A 98 13.046 -0.540 -6.390 1.00 0.00 O ATOM 0 H ASP A 98 8.324 -1.319 -6.755 1.00 0.00 H new ATOM 0 HA ASP A 98 10.194 -2.978 -5.456 1.00 0.00 H new ATOM 0 HB2 ASP A 98 10.493 -1.592 -7.568 1.00 0.00 H new ATOM 0 HB3 ASP A 98 10.602 -0.168 -6.551 1.00 0.00 H new ATOM 456 N GLN A 99 9.317 -0.262 -3.866 1.00 0.00 N ATOM 457 CA GLN A 99 9.416 0.447 -2.598 1.00 0.00 C ATOM 458 C GLN A 99 8.961 -0.440 -1.444 1.00 0.00 C ATOM 459 O GLN A 99 9.509 -0.369 -0.345 1.00 0.00 O ATOM 460 CB GLN A 99 8.577 1.729 -2.638 1.00 0.00 C ATOM 461 CG GLN A 99 9.339 2.966 -2.191 1.00 0.00 C ATOM 462 CD GLN A 99 8.910 3.452 -0.821 1.00 0.00 C ATOM 463 OE1 GLN A 99 7.874 4.100 -0.675 1.00 0.00 O ATOM 464 NE2 GLN A 99 9.708 3.140 0.195 1.00 0.00 N ATOM 0 H GLN A 99 8.588 0.087 -4.488 1.00 0.00 H new ATOM 0 HA GLN A 99 10.461 0.712 -2.438 1.00 0.00 H new ATOM 0 HB2 GLN A 99 8.212 1.884 -3.653 1.00 0.00 H new ATOM 0 HB3 GLN A 99 7.702 1.601 -2.001 1.00 0.00 H new ATOM 0 HG2 GLN A 99 10.406 2.745 -2.176 1.00 0.00 H new ATOM 0 HG3 GLN A 99 9.189 3.763 -2.919 1.00 0.00 H new ATOM 0 HE21 GLN A 99 10.558 2.601 0.029 1.00 0.00 H new ATOM 0 HE22 GLN A 99 9.471 3.440 1.141 1.00 0.00 H new ATOM 473 N ILE A 100 7.956 -1.271 -1.702 1.00 0.00 N ATOM 474 CA ILE A 100 7.426 -2.166 -0.683 1.00 0.00 C ATOM 475 C ILE A 100 8.391 -3.288 -0.375 1.00 0.00 C ATOM 476 O ILE A 100 8.892 -3.407 0.744 1.00 0.00 O ATOM 477 CB ILE A 100 6.095 -2.800 -1.115 1.00 0.00 C ATOM 478 CG1 ILE A 100 5.262 -1.834 -1.959 1.00 0.00 C ATOM 479 CG2 ILE A 100 5.315 -3.236 0.107 1.00 0.00 C ATOM 480 CD1 ILE A 100 5.099 -0.475 -1.325 1.00 0.00 C ATOM 0 H ILE A 100 7.493 -1.342 -2.608 1.00 0.00 H new ATOM 0 HA ILE A 100 7.271 -1.550 0.203 1.00 0.00 H new ATOM 0 HB ILE A 100 6.318 -3.670 -1.732 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.732 -1.718 -2.935 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.277 -2.268 -2.129 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.372 -3.685 -0.204 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.897 -3.967 0.668 1.00 0.00 H new ATOM 0 HG23 ILE A 100 5.114 -2.370 0.738 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.498 0.160 -1.976 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.602 -0.581 -0.361 1.00 0.00 H new ATOM 0 HD13 ILE A 100 6.079 -0.021 -1.180 1.00 0.00 H new ATOM 492 N GLU A 101 8.650 -4.112 -1.381 1.00 0.00 N ATOM 493 CA GLU A 101 9.567 -5.240 -1.233 1.00 0.00 C ATOM 494 C GLU A 101 10.836 -4.805 -0.509 1.00 0.00 C ATOM 495 O GLU A 101 11.501 -5.608 0.144 1.00 0.00 O ATOM 496 CB GLU A 101 9.918 -5.826 -2.601 1.00 0.00 C ATOM 497 CG GLU A 101 10.540 -4.819 -3.554 1.00 0.00 C ATOM 498 CD GLU A 101 11.225 -5.478 -4.734 1.00 0.00 C ATOM 499 OE1 GLU A 101 10.513 -5.956 -5.643 1.00 0.00 O ATOM 500 OE2 GLU A 101 12.473 -5.517 -4.751 1.00 0.00 O1- ATOM 0 H GLU A 101 8.239 -4.023 -2.310 1.00 0.00 H new ATOM 0 HA GLU A 101 9.072 -6.008 -0.639 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.609 -6.658 -2.464 1.00 0.00 H new ATOM 0 HB3 GLU A 101 9.015 -6.233 -3.055 1.00 0.00 H new ATOM 0 HG2 GLU A 101 9.766 -4.144 -3.919 1.00 0.00 H new ATOM 0 HG3 GLU A 101 11.264 -4.211 -3.012 1.00 0.00 H new ATOM 507 N PHE A 102 11.149 -3.518 -0.617 1.00 0.00 N ATOM 508 CA PHE A 102 12.321 -2.957 0.041 1.00 0.00 C ATOM 509 C PHE A 102 11.973 -2.568 1.471 1.00 0.00 C ATOM 510 O PHE A 102 12.689 -2.893 2.417 1.00 0.00 O ATOM 511 CB PHE A 102 12.830 -1.738 -0.738 1.00 0.00 C ATOM 512 CG PHE A 102 13.773 -0.862 0.041 1.00 0.00 C ATOM 513 CD1 PHE A 102 13.286 0.055 0.958 1.00 0.00 C ATOM 514 CD2 PHE A 102 15.142 -0.954 -0.149 1.00 0.00 C ATOM 515 CE1 PHE A 102 14.149 0.863 1.675 1.00 0.00 C ATOM 516 CE2 PHE A 102 16.010 -0.148 0.564 1.00 0.00 C ATOM 517 CZ PHE A 102 15.512 0.762 1.477 1.00 0.00 C ATOM 0 H PHE A 102 10.605 -2.843 -1.155 1.00 0.00 H new ATOM 0 HA PHE A 102 13.112 -3.707 0.064 1.00 0.00 H new ATOM 0 HB2 PHE A 102 13.333 -2.082 -1.642 1.00 0.00 H new ATOM 0 HB3 PHE A 102 11.976 -1.141 -1.056 1.00 0.00 H new ATOM 0 HD1 PHE A 102 12.221 0.140 1.115 1.00 0.00 H new ATOM 0 HD2 PHE A 102 15.536 -1.663 -0.862 1.00 0.00 H new ATOM 0 HE1 PHE A 102 13.758 1.572 2.389 1.00 0.00 H new ATOM 0 HE2 PHE A 102 17.076 -0.229 0.408 1.00 0.00 H new ATOM 0 HZ PHE A 102 16.188 1.393 2.035 1.00 0.00 H new ATOM 527 N TYR A 103 10.857 -1.868 1.604 1.00 0.00 N ATOM 528 CA TYR A 103 10.373 -1.414 2.897 1.00 0.00 C ATOM 529 C TYR A 103 10.125 -2.594 3.823 1.00 0.00 C ATOM 530 O TYR A 103 10.569 -2.610 4.971 1.00 0.00 O ATOM 531 CB TYR A 103 9.072 -0.630 2.710 1.00 0.00 C ATOM 532 CG TYR A 103 7.920 -1.166 3.533 1.00 0.00 C ATOM 533 CD1 TYR A 103 7.771 -0.782 4.853 1.00 0.00 C ATOM 534 CD2 TYR A 103 6.995 -2.055 2.998 1.00 0.00 C ATOM 535 CE1 TYR A 103 6.738 -1.256 5.625 1.00 0.00 C ATOM 536 CE2 TYR A 103 5.952 -2.539 3.766 1.00 0.00 C ATOM 537 CZ TYR A 103 5.826 -2.135 5.078 1.00 0.00 C ATOM 538 OH TYR A 103 4.791 -2.616 5.847 1.00 0.00 O ATOM 0 H TYR A 103 10.263 -1.599 0.820 1.00 0.00 H new ATOM 0 HA TYR A 103 11.131 -0.772 3.346 1.00 0.00 H new ATOM 0 HB2 TYR A 103 9.244 0.413 2.976 1.00 0.00 H new ATOM 0 HB3 TYR A 103 8.795 -0.648 1.656 1.00 0.00 H new ATOM 0 HD1 TYR A 103 8.482 -0.094 5.287 1.00 0.00 H new ATOM 0 HD2 TYR A 103 7.092 -2.372 1.970 1.00 0.00 H new ATOM 0 HE1 TYR A 103 6.640 -0.942 6.654 1.00 0.00 H new ATOM 0 HE2 TYR A 103 5.240 -3.230 3.340 1.00 0.00 H new ATOM 0 HH TYR A 103 4.590 -3.539 5.585 1.00 0.00 H new ATOM 548 N PHE A 104 9.372 -3.563 3.319 1.00 0.00 N ATOM 549 CA PHE A 104 9.012 -4.737 4.101 1.00 0.00 C ATOM 550 C PHE A 104 10.206 -5.657 4.364 1.00 0.00 C ATOM 551 O PHE A 104 10.057 -6.692 5.014 1.00 0.00 O ATOM 552 CB PHE A 104 7.899 -5.516 3.397 1.00 0.00 C ATOM 553 CG PHE A 104 6.746 -5.863 4.296 1.00 0.00 C ATOM 554 CD1 PHE A 104 6.967 -6.397 5.555 1.00 0.00 C ATOM 555 CD2 PHE A 104 5.441 -5.655 3.879 1.00 0.00 C ATOM 556 CE1 PHE A 104 5.907 -6.717 6.382 1.00 0.00 C ATOM 557 CE2 PHE A 104 4.377 -5.973 4.701 1.00 0.00 C ATOM 558 CZ PHE A 104 4.610 -6.505 5.955 1.00 0.00 C ATOM 0 H PHE A 104 8.998 -3.558 2.370 1.00 0.00 H new ATOM 0 HA PHE A 104 8.660 -4.381 5.069 1.00 0.00 H new ATOM 0 HB2 PHE A 104 7.530 -4.927 2.557 1.00 0.00 H new ATOM 0 HB3 PHE A 104 8.315 -6.434 2.983 1.00 0.00 H new ATOM 0 HD1 PHE A 104 7.979 -6.565 5.894 1.00 0.00 H new ATOM 0 HD2 PHE A 104 5.253 -5.239 2.900 1.00 0.00 H new ATOM 0 HE1 PHE A 104 6.092 -7.133 7.361 1.00 0.00 H new ATOM 0 HE2 PHE A 104 3.365 -5.806 4.364 1.00 0.00 H new ATOM 0 HZ PHE A 104 3.780 -6.754 6.600 1.00 0.00 H new ATOM 568 N SER A 105 11.391 -5.276 3.899 1.00 0.00 N ATOM 569 CA SER A 105 12.579 -6.086 4.150 1.00 0.00 C ATOM 570 C SER A 105 12.869 -6.109 5.652 1.00 0.00 C ATOM 571 O SER A 105 12.762 -5.083 6.318 1.00 0.00 O ATOM 572 CB SER A 105 13.781 -5.525 3.389 1.00 0.00 C ATOM 573 OG SER A 105 14.663 -6.561 2.991 1.00 0.00 O ATOM 0 H SER A 105 11.554 -4.428 3.356 1.00 0.00 H new ATOM 0 HA SER A 105 12.398 -7.102 3.800 1.00 0.00 H new ATOM 0 HB2 SER A 105 13.437 -4.979 2.511 1.00 0.00 H new ATOM 0 HB3 SER A 105 14.313 -4.812 4.019 1.00 0.00 H new ATOM 0 HG SER A 105 15.422 -6.176 2.505 1.00 0.00 H new ATOM 579 N ASP A 106 13.220 -7.281 6.186 1.00 0.00 N ATOM 580 CA ASP A 106 13.506 -7.432 7.623 1.00 0.00 C ATOM 581 C ASP A 106 14.231 -6.209 8.193 1.00 0.00 C ATOM 582 O ASP A 106 13.723 -5.517 9.081 1.00 0.00 O ATOM 583 CB ASP A 106 14.370 -8.676 7.871 1.00 0.00 C ATOM 584 CG ASP A 106 15.302 -8.986 6.714 1.00 0.00 C ATOM 585 OD1 ASP A 106 14.800 -9.304 5.615 1.00 0.00 O1- ATOM 586 OD2 ASP A 106 16.534 -8.912 6.906 1.00 0.00 O ATOM 0 H ASP A 106 13.314 -8.143 5.648 1.00 0.00 H new ATOM 0 HA ASP A 106 12.545 -7.535 8.127 1.00 0.00 H new ATOM 0 HB2 ASP A 106 14.959 -8.529 8.776 1.00 0.00 H new ATOM 0 HB3 ASP A 106 13.721 -9.534 8.049 1.00 0.00 H new ATOM 591 N GLU A 107 15.426 -5.962 7.675 1.00 0.00 N ATOM 592 CA GLU A 107 16.255 -4.856 8.100 1.00 0.00 C ATOM 593 C GLU A 107 15.595 -3.507 7.845 1.00 0.00 C ATOM 594 O GLU A 107 15.999 -2.487 8.403 1.00 0.00 O ATOM 595 CB GLU A 107 17.563 -4.934 7.336 1.00 0.00 C ATOM 596 CG GLU A 107 17.474 -4.449 5.895 1.00 0.00 C ATOM 597 CD GLU A 107 18.766 -4.653 5.130 1.00 0.00 C ATOM 598 OE1 GLU A 107 19.194 -5.818 4.987 1.00 0.00 O ATOM 599 OE2 GLU A 107 19.351 -3.649 4.673 1.00 0.00 O1- ATOM 0 H GLU A 107 15.846 -6.532 6.941 1.00 0.00 H new ATOM 0 HA GLU A 107 16.416 -4.933 9.175 1.00 0.00 H new ATOM 0 HB2 GLU A 107 18.313 -4.343 7.861 1.00 0.00 H new ATOM 0 HB3 GLU A 107 17.912 -5.967 7.339 1.00 0.00 H new ATOM 0 HG2 GLU A 107 16.668 -4.978 5.387 1.00 0.00 H new ATOM 0 HG3 GLU A 107 17.215 -3.390 5.887 1.00 0.00 H new ATOM 606 N ASN A 108 14.594 -3.513 6.988 1.00 0.00 N ATOM 607 CA ASN A 108 13.881 -2.294 6.636 1.00 0.00 C ATOM 608 C ASN A 108 12.693 -2.075 7.555 1.00 0.00 C ATOM 609 O ASN A 108 12.190 -0.963 7.681 1.00 0.00 O ATOM 610 CB ASN A 108 13.418 -2.349 5.179 1.00 0.00 C ATOM 611 CG ASN A 108 14.518 -1.963 4.210 1.00 0.00 C ATOM 612 OD1 ASN A 108 14.971 -2.782 3.408 1.00 0.00 O ATOM 613 ND2 ASN A 108 14.957 -0.712 4.279 1.00 0.00 N ATOM 0 H ASN A 108 14.252 -4.351 6.518 1.00 0.00 H new ATOM 0 HA ASN A 108 14.566 -1.455 6.757 1.00 0.00 H new ATOM 0 HB2 ASN A 108 13.071 -3.356 4.948 1.00 0.00 H new ATOM 0 HB3 ASN A 108 12.568 -1.680 5.045 1.00 0.00 H new ATOM 0 HD21 ASN A 108 15.698 -0.396 3.653 1.00 0.00 H new ATOM 0 HD22 ASN A 108 14.554 -0.067 4.958 1.00 0.00 H new ATOM 620 N LEU A 109 12.255 -3.140 8.209 1.00 0.00 N ATOM 621 CA LEU A 109 11.143 -3.066 9.119 1.00 0.00 C ATOM 622 C LEU A 109 11.537 -2.280 10.337 1.00 0.00 C ATOM 623 O LEU A 109 10.892 -1.298 10.703 1.00 0.00 O ATOM 624 CB LEU A 109 10.737 -4.463 9.518 1.00 0.00 C ATOM 625 CG LEU A 109 9.706 -5.097 8.608 1.00 0.00 C ATOM 626 CD1 LEU A 109 8.319 -4.839 9.160 1.00 0.00 C ATOM 627 CD2 LEU A 109 9.811 -4.565 7.192 1.00 0.00 C ATOM 0 H LEU A 109 12.663 -4.070 8.119 1.00 0.00 H new ATOM 0 HA LEU A 109 10.304 -2.568 8.634 1.00 0.00 H new ATOM 0 HB2 LEU A 109 11.625 -5.095 9.537 1.00 0.00 H new ATOM 0 HB3 LEU A 109 10.341 -4.438 10.533 1.00 0.00 H new ATOM 0 HG LEU A 109 9.895 -6.170 8.572 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.576 -5.295 8.505 1.00 0.00 H new ATOM 0 HD12 LEU A 109 8.238 -5.271 10.157 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.143 -3.765 9.215 1.00 0.00 H new ATOM 0 HD21 LEU A 109 9.056 -5.042 6.567 1.00 0.00 H new ATOM 0 HD22 LEU A 109 9.651 -3.487 7.196 1.00 0.00 H new ATOM 0 HD23 LEU A 109 10.802 -4.783 6.794 1.00 0.00 H new ATOM 639 N GLU A 110 12.624 -2.714 10.954 1.00 0.00 N ATOM 640 CA GLU A 110 13.129 -2.043 12.126 1.00 0.00 C ATOM 641 C GLU A 110 13.348 -0.560 11.837 1.00 0.00 C ATOM 642 O GLU A 110 13.450 0.255 12.754 1.00 0.00 O ATOM 643 CB GLU A 110 14.439 -2.668 12.629 1.00 0.00 C ATOM 644 CG GLU A 110 14.839 -3.970 11.962 1.00 0.00 C ATOM 645 CD GLU A 110 16.243 -4.405 12.331 1.00 0.00 C ATOM 646 OE1 GLU A 110 16.756 -3.939 13.371 1.00 0.00 O ATOM 647 OE2 GLU A 110 16.831 -5.212 11.580 1.00 0.00 O1- ATOM 0 H GLU A 110 13.167 -3.525 10.659 1.00 0.00 H new ATOM 0 HA GLU A 110 12.379 -2.158 12.909 1.00 0.00 H new ATOM 0 HB2 GLU A 110 15.243 -1.946 12.488 1.00 0.00 H new ATOM 0 HB3 GLU A 110 14.350 -2.842 13.701 1.00 0.00 H new ATOM 0 HG2 GLU A 110 14.134 -4.751 12.246 1.00 0.00 H new ATOM 0 HG3 GLU A 110 14.770 -3.856 10.880 1.00 0.00 H new ATOM 654 N LYS A 111 13.437 -0.223 10.551 1.00 0.00 N ATOM 655 CA LYS A 111 13.663 1.146 10.129 1.00 0.00 C ATOM 656 C LYS A 111 12.507 1.686 9.291 1.00 0.00 C ATOM 657 O LYS A 111 12.659 2.697 8.604 1.00 0.00 O ATOM 658 CB LYS A 111 14.953 1.208 9.318 1.00 0.00 C ATOM 659 CG LYS A 111 16.188 1.451 10.165 1.00 0.00 C ATOM 660 CD LYS A 111 16.193 2.852 10.757 1.00 0.00 C ATOM 661 CE LYS A 111 15.703 2.852 12.196 1.00 0.00 C ATOM 662 NZ LYS A 111 14.753 3.969 12.458 1.00 0.00 N1+ ATOM 0 H LYS A 111 13.354 -0.890 9.783 1.00 0.00 H new ATOM 0 HA LYS A 111 13.739 1.767 11.022 1.00 0.00 H new ATOM 0 HB2 LYS A 111 15.075 0.273 8.772 1.00 0.00 H new ATOM 0 HB3 LYS A 111 14.869 2.002 8.576 1.00 0.00 H new ATOM 0 HG2 LYS A 111 16.230 0.716 10.968 1.00 0.00 H new ATOM 0 HG3 LYS A 111 17.081 1.309 9.556 1.00 0.00 H new ATOM 0 HD2 LYS A 111 17.202 3.262 10.715 1.00 0.00 H new ATOM 0 HD3 LYS A 111 15.559 3.504 10.156 1.00 0.00 H new ATOM 0 HE2 LYS A 111 15.215 1.902 12.414 1.00 0.00 H new ATOM 0 HE3 LYS A 111 16.556 2.935 12.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 14.442 3.935 13.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 15.226 4.877 12.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 13.927 3.876 11.833 1.00 0.00 H new ATOM 676 N ASP A 112 11.363 1.010 9.320 1.00 0.00 N ATOM 677 CA ASP A 112 10.222 1.448 8.523 1.00 0.00 C ATOM 678 C ASP A 112 8.895 1.039 9.149 1.00 0.00 C ATOM 679 O ASP A 112 7.955 0.646 8.454 1.00 0.00 O ATOM 680 CB ASP A 112 10.345 0.872 7.121 1.00 0.00 C ATOM 681 CG ASP A 112 9.600 1.686 6.090 1.00 0.00 C ATOM 682 OD1 ASP A 112 8.359 1.762 6.185 1.00 0.00 O ATOM 683 OD2 ASP A 112 10.255 2.249 5.188 1.00 0.00 O1- ATOM 0 H ASP A 112 11.202 0.171 9.877 1.00 0.00 H new ATOM 0 HA ASP A 112 10.232 2.537 8.482 1.00 0.00 H new ATOM 0 HB2 ASP A 112 11.398 0.820 6.845 1.00 0.00 H new ATOM 0 HB3 ASP A 112 9.963 -0.149 7.117 1.00 0.00 H new ATOM 688 N ALA A 113 8.822 1.146 10.465 1.00 0.00 N ATOM 689 CA ALA A 113 7.609 0.801 11.195 1.00 0.00 C ATOM 690 C ALA A 113 6.476 1.772 10.866 1.00 0.00 C ATOM 691 O ALA A 113 5.298 1.429 10.978 1.00 0.00 O ATOM 692 CB ALA A 113 7.879 0.790 12.692 1.00 0.00 C ATOM 0 H ALA A 113 9.590 1.470 11.053 1.00 0.00 H new ATOM 0 HA ALA A 113 7.299 -0.197 10.886 1.00 0.00 H new ATOM 0 HB1 ALA A 113 6.964 0.531 13.225 1.00 0.00 H new ATOM 0 HB2 ALA A 113 8.651 0.054 12.917 1.00 0.00 H new ATOM 0 HB3 ALA A 113 8.216 1.777 13.008 1.00 0.00 H new ATOM 698 N PHE A 114 6.840 2.986 10.461 1.00 0.00 N ATOM 699 CA PHE A 114 5.859 4.012 10.116 1.00 0.00 C ATOM 700 C PHE A 114 4.962 3.557 8.965 1.00 0.00 C ATOM 701 O PHE A 114 3.812 3.978 8.857 1.00 0.00 O ATOM 702 CB PHE A 114 6.566 5.319 9.739 1.00 0.00 C ATOM 703 CG PHE A 114 7.763 5.113 8.859 1.00 0.00 C ATOM 704 CD1 PHE A 114 7.621 4.549 7.603 1.00 0.00 C ATOM 705 CD2 PHE A 114 9.032 5.469 9.290 1.00 0.00 C ATOM 706 CE1 PHE A 114 8.715 4.342 6.794 1.00 0.00 C ATOM 707 CE2 PHE A 114 10.134 5.263 8.482 1.00 0.00 C ATOM 708 CZ PHE A 114 9.976 4.697 7.232 1.00 0.00 C ATOM 0 H PHE A 114 7.811 3.284 10.363 1.00 0.00 H new ATOM 0 HA PHE A 114 5.232 4.181 10.992 1.00 0.00 H new ATOM 0 HB2 PHE A 114 5.858 5.973 9.230 1.00 0.00 H new ATOM 0 HB3 PHE A 114 6.877 5.832 10.649 1.00 0.00 H new ATOM 0 HD1 PHE A 114 6.639 4.268 7.253 1.00 0.00 H new ATOM 0 HD2 PHE A 114 9.160 5.912 10.267 1.00 0.00 H new ATOM 0 HE1 PHE A 114 8.587 3.902 5.816 1.00 0.00 H new ATOM 0 HE2 PHE A 114 11.118 5.544 8.828 1.00 0.00 H new ATOM 0 HZ PHE A 114 10.836 4.533 6.599 1.00 0.00 H new ATOM 718 N LEU A 115 5.491 2.701 8.101 1.00 0.00 N ATOM 719 CA LEU A 115 4.729 2.198 6.964 1.00 0.00 C ATOM 720 C LEU A 115 3.871 1.006 7.381 1.00 0.00 C ATOM 721 O LEU A 115 2.704 0.908 7.009 1.00 0.00 O ATOM 722 CB LEU A 115 5.676 1.808 5.819 1.00 0.00 C ATOM 723 CG LEU A 115 5.026 1.574 4.444 1.00 0.00 C ATOM 724 CD1 LEU A 115 6.074 1.176 3.409 1.00 0.00 C ATOM 725 CD2 LEU A 115 3.941 0.511 4.522 1.00 0.00 C ATOM 0 H LEU A 115 6.443 2.340 8.165 1.00 0.00 H new ATOM 0 HA LEU A 115 4.067 2.989 6.611 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.426 2.592 5.714 1.00 0.00 H new ATOM 0 HB3 LEU A 115 6.204 0.899 6.107 1.00 0.00 H new ATOM 0 HG LEU A 115 4.566 2.512 4.134 1.00 0.00 H new ATOM 0 HD11 LEU A 115 5.591 1.016 2.445 1.00 0.00 H new ATOM 0 HD12 LEU A 115 6.814 1.971 3.316 1.00 0.00 H new ATOM 0 HD13 LEU A 115 6.567 0.257 3.725 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.500 0.368 3.535 1.00 0.00 H new ATOM 0 HD22 LEU A 115 4.376 -0.428 4.865 1.00 0.00 H new ATOM 0 HD23 LEU A 115 3.168 0.830 5.222 1.00 0.00 H new ATOM 737 N LEU A 116 4.470 0.090 8.139 1.00 0.00 N ATOM 738 CA LEU A 116 3.769 -1.113 8.587 1.00 0.00 C ATOM 739 C LEU A 116 2.945 -0.896 9.860 1.00 0.00 C ATOM 740 O LEU A 116 1.725 -1.052 9.855 1.00 0.00 O ATOM 741 CB LEU A 116 4.771 -2.245 8.820 1.00 0.00 C ATOM 742 CG LEU A 116 4.145 -3.616 9.082 1.00 0.00 C ATOM 743 CD1 LEU A 116 5.011 -4.720 8.497 1.00 0.00 C ATOM 744 CD2 LEU A 116 3.940 -3.830 10.574 1.00 0.00 C ATOM 0 H LEU A 116 5.437 0.157 8.456 1.00 0.00 H new ATOM 0 HA LEU A 116 3.070 -1.376 7.793 1.00 0.00 H new ATOM 0 HB2 LEU A 116 5.422 -2.320 7.949 1.00 0.00 H new ATOM 0 HB3 LEU A 116 5.403 -1.982 9.668 1.00 0.00 H new ATOM 0 HG LEU A 116 3.172 -3.650 8.592 1.00 0.00 H new ATOM 0 HD11 LEU A 116 4.549 -5.688 8.694 1.00 0.00 H new ATOM 0 HD12 LEU A 116 5.107 -4.576 7.421 1.00 0.00 H new ATOM 0 HD13 LEU A 116 5.999 -4.690 8.957 1.00 0.00 H new ATOM 0 HD21 LEU A 116 3.494 -4.810 10.743 1.00 0.00 H new ATOM 0 HD22 LEU A 116 4.901 -3.776 11.085 1.00 0.00 H new ATOM 0 HD23 LEU A 116 3.278 -3.058 10.965 1.00 0.00 H new ATOM 922 N TYR A 126 -1.226 -5.883 8.704 1.00 0.00 N ATOM 923 CA TYR A 126 -1.613 -5.555 7.337 1.00 0.00 C ATOM 924 C TYR A 126 -1.456 -4.063 7.073 1.00 0.00 C ATOM 925 O TYR A 126 -1.765 -3.235 7.932 1.00 0.00 O ATOM 926 CB TYR A 126 -3.058 -5.983 7.077 1.00 0.00 C ATOM 927 CG TYR A 126 -3.278 -7.475 7.185 1.00 0.00 C ATOM 928 CD1 TYR A 126 -3.330 -8.100 8.425 1.00 0.00 C ATOM 929 CD2 TYR A 126 -3.435 -8.257 6.049 1.00 0.00 C ATOM 930 CE1 TYR A 126 -3.530 -9.464 8.528 1.00 0.00 C ATOM 931 CE2 TYR A 126 -3.637 -9.622 6.143 1.00 0.00 C ATOM 932 CZ TYR A 126 -3.683 -10.219 7.385 1.00 0.00 C ATOM 933 OH TYR A 126 -3.884 -11.578 7.483 1.00 0.00 O ATOM 0 HA TYR A 126 -0.955 -6.097 6.658 1.00 0.00 H new ATOM 0 HB2 TYR A 126 -3.711 -5.476 7.787 1.00 0.00 H new ATOM 0 HB3 TYR A 126 -3.352 -5.652 6.081 1.00 0.00 H new ATOM 0 HD1 TYR A 126 -3.212 -7.511 9.322 1.00 0.00 H new ATOM 0 HD2 TYR A 126 -3.399 -7.792 5.075 1.00 0.00 H new ATOM 0 HE1 TYR A 126 -3.566 -9.936 9.499 1.00 0.00 H new ATOM 0 HE2 TYR A 126 -3.758 -10.216 5.249 1.00 0.00 H new ATOM 0 HH TYR A 126 -3.974 -11.961 6.585 1.00 0.00 H new ATOM 943 N VAL A 127 -0.971 -3.720 5.883 1.00 0.00 N ATOM 944 CA VAL A 127 -0.772 -2.327 5.515 1.00 0.00 C ATOM 945 C VAL A 127 -1.887 -1.840 4.598 1.00 0.00 C ATOM 946 O VAL A 127 -2.103 -2.394 3.524 1.00 0.00 O ATOM 947 CB VAL A 127 0.585 -2.135 4.815 1.00 0.00 C ATOM 948 CG1 VAL A 127 0.792 -0.687 4.402 1.00 0.00 C ATOM 949 CG2 VAL A 127 1.716 -2.605 5.716 1.00 0.00 C ATOM 0 H VAL A 127 -0.709 -4.389 5.159 1.00 0.00 H new ATOM 0 HA VAL A 127 -0.787 -1.740 6.434 1.00 0.00 H new ATOM 0 HB VAL A 127 0.587 -2.741 3.909 1.00 0.00 H new ATOM 0 HG11 VAL A 127 1.759 -0.584 3.910 1.00 0.00 H new ATOM 0 HG12 VAL A 127 0.001 -0.388 3.714 1.00 0.00 H new ATOM 0 HG13 VAL A 127 0.764 -0.049 5.285 1.00 0.00 H new ATOM 0 HG21 VAL A 127 2.669 -2.463 5.207 1.00 0.00 H new ATOM 0 HG22 VAL A 127 1.708 -2.028 6.641 1.00 0.00 H new ATOM 0 HG23 VAL A 127 1.582 -3.662 5.947 1.00 0.00 H new ATOM 959 N SER A 128 -2.589 -0.798 5.023 1.00 0.00 N ATOM 960 CA SER A 128 -3.677 -0.245 4.229 1.00 0.00 C ATOM 961 C SER A 128 -3.148 0.743 3.192 1.00 0.00 C ATOM 962 O SER A 128 -2.429 1.686 3.528 1.00 0.00 O ATOM 963 CB SER A 128 -4.699 0.445 5.134 1.00 0.00 C ATOM 964 OG SER A 128 -5.557 1.288 4.385 1.00 0.00 O ATOM 0 H SER A 128 -2.425 -0.321 5.909 1.00 0.00 H new ATOM 0 HA SER A 128 -4.164 -1.067 3.705 1.00 0.00 H new ATOM 0 HB2 SER A 128 -5.290 -0.306 5.659 1.00 0.00 H new ATOM 0 HB3 SER A 128 -4.180 1.031 5.893 1.00 0.00 H new ATOM 0 HG SER A 128 -6.202 1.716 4.986 1.00 0.00 H new ATOM 970 N VAL A 129 -3.507 0.522 1.931 1.00 0.00 N ATOM 971 CA VAL A 129 -3.066 1.399 0.853 1.00 0.00 C ATOM 972 C VAL A 129 -3.499 2.839 1.113 1.00 0.00 C ATOM 973 O VAL A 129 -2.851 3.781 0.658 1.00 0.00 O ATOM 974 CB VAL A 129 -3.605 0.939 -0.518 1.00 0.00 C ATOM 975 CG1 VAL A 129 -3.309 1.977 -1.591 1.00 0.00 C ATOM 976 CG2 VAL A 129 -3.003 -0.403 -0.901 1.00 0.00 C ATOM 0 H VAL A 129 -4.099 -0.253 1.632 1.00 0.00 H new ATOM 0 HA VAL A 129 -1.977 1.348 0.828 1.00 0.00 H new ATOM 0 HB VAL A 129 -4.686 0.827 -0.439 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -3.698 1.631 -2.549 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -3.785 2.921 -1.325 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -2.232 2.123 -1.668 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -3.393 -0.713 -1.870 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -1.918 -0.312 -0.959 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -3.265 -1.147 -0.149 1.00 0.00 H new ATOM 986 N LYS A 130 -4.592 3.005 1.856 1.00 0.00 N ATOM 987 CA LYS A 130 -5.096 4.335 2.181 1.00 0.00 C ATOM 988 C LYS A 130 -3.965 5.216 2.703 1.00 0.00 C ATOM 989 O LYS A 130 -3.942 6.424 2.469 1.00 0.00 O ATOM 990 CB LYS A 130 -6.216 4.242 3.222 1.00 0.00 C ATOM 991 CG LYS A 130 -7.453 5.045 2.856 1.00 0.00 C ATOM 992 CD LYS A 130 -8.142 4.477 1.626 1.00 0.00 C ATOM 993 CE LYS A 130 -9.059 5.501 0.977 1.00 0.00 C ATOM 994 NZ LYS A 130 -8.412 6.172 -0.184 1.00 0.00 N1+ ATOM 0 H LYS A 130 -5.142 2.238 2.242 1.00 0.00 H new ATOM 0 HA LYS A 130 -5.500 4.784 1.273 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -6.496 3.196 3.350 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -5.838 4.591 4.183 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -8.148 5.047 3.695 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -7.173 6.082 2.671 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -7.392 4.151 0.906 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -8.719 3.596 1.906 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -9.975 5.010 0.648 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -9.346 6.250 1.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -9.071 6.862 -0.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -7.551 6.662 0.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -8.161 5.461 -0.900 1.00 0.00 H new ATOM 1008 N LEU A 131 -3.023 4.590 3.399 1.00 0.00 N ATOM 1009 CA LEU A 131 -1.877 5.292 3.944 1.00 0.00 C ATOM 1010 C LEU A 131 -0.788 5.427 2.884 1.00 0.00 C ATOM 1011 O LEU A 131 -0.236 6.508 2.679 1.00 0.00 O ATOM 1012 CB LEU A 131 -1.346 4.548 5.175 1.00 0.00 C ATOM 1013 CG LEU A 131 0.158 4.668 5.405 1.00 0.00 C ATOM 1014 CD1 LEU A 131 0.548 6.121 5.611 1.00 0.00 C ATOM 1015 CD2 LEU A 131 0.590 3.817 6.589 1.00 0.00 C ATOM 0 H LEU A 131 -3.035 3.590 3.598 1.00 0.00 H new ATOM 0 HA LEU A 131 -2.184 6.293 4.248 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -1.864 4.922 6.058 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -1.600 3.492 5.080 1.00 0.00 H new ATOM 0 HG LEU A 131 0.674 4.298 4.519 1.00 0.00 H new ATOM 0 HD11 LEU A 131 1.624 6.189 5.774 1.00 0.00 H new ATOM 0 HD12 LEU A 131 0.277 6.699 4.728 1.00 0.00 H new ATOM 0 HD13 LEU A 131 0.024 6.519 6.480 1.00 0.00 H new ATOM 0 HD21 LEU A 131 1.665 3.917 6.736 1.00 0.00 H new ATOM 0 HD22 LEU A 131 0.069 4.151 7.486 1.00 0.00 H new ATOM 0 HD23 LEU A 131 0.346 2.773 6.395 1.00 0.00 H new ATOM 1027 N LEU A 132 -0.485 4.319 2.210 1.00 0.00 N ATOM 1028 CA LEU A 132 0.538 4.309 1.169 1.00 0.00 C ATOM 1029 C LEU A 132 0.291 5.413 0.145 1.00 0.00 C ATOM 1030 O LEU A 132 1.229 5.942 -0.450 1.00 0.00 O ATOM 1031 CB LEU A 132 0.568 2.949 0.470 1.00 0.00 C ATOM 1032 CG LEU A 132 1.590 1.958 1.027 1.00 0.00 C ATOM 1033 CD1 LEU A 132 1.499 1.890 2.543 1.00 0.00 C ATOM 1034 CD2 LEU A 132 1.381 0.582 0.415 1.00 0.00 C ATOM 0 H LEU A 132 -0.934 3.417 2.367 1.00 0.00 H new ATOM 0 HA LEU A 132 1.502 4.491 1.644 1.00 0.00 H new ATOM 0 HB2 LEU A 132 -0.424 2.501 0.537 1.00 0.00 H new ATOM 0 HB3 LEU A 132 0.776 3.106 -0.588 1.00 0.00 H new ATOM 0 HG LEU A 132 2.588 2.306 0.761 1.00 0.00 H new ATOM 0 HD11 LEU A 132 2.234 1.179 2.920 1.00 0.00 H new ATOM 0 HD12 LEU A 132 1.698 2.876 2.964 1.00 0.00 H new ATOM 0 HD13 LEU A 132 0.499 1.566 2.833 1.00 0.00 H new ATOM 0 HD21 LEU A 132 2.116 -0.112 0.821 1.00 0.00 H new ATOM 0 HD22 LEU A 132 0.378 0.227 0.651 1.00 0.00 H new ATOM 0 HD23 LEU A 132 1.499 0.643 -0.667 1.00 0.00 H new ATOM 1046 N THR A 133 -0.977 5.753 -0.055 1.00 0.00 N ATOM 1047 CA THR A 133 -1.344 6.791 -1.007 1.00 0.00 C ATOM 1048 C THR A 133 -0.876 8.155 -0.523 1.00 0.00 C ATOM 1049 O THR A 133 -0.278 8.925 -1.274 1.00 0.00 O ATOM 1050 CB THR A 133 -2.856 6.803 -1.225 1.00 0.00 C ATOM 1051 OG1 THR A 133 -3.514 6.001 -0.260 1.00 0.00 O ATOM 1052 CG2 THR A 133 -3.249 6.296 -2.590 1.00 0.00 C ATOM 0 H THR A 133 -1.766 5.325 0.429 1.00 0.00 H new ATOM 0 HA THR A 133 -0.853 6.572 -1.955 1.00 0.00 H new ATOM 0 HB THR A 133 -3.159 7.846 -1.132 1.00 0.00 H new ATOM 0 HG1 THR A 133 -3.406 5.055 -0.492 1.00 0.00 H new ATOM 0 HG21 THR A 133 -4.334 6.326 -2.691 1.00 0.00 H new ATOM 0 HG22 THR A 133 -2.796 6.925 -3.356 1.00 0.00 H new ATOM 0 HG23 THR A 133 -2.902 5.270 -2.711 1.00 0.00 H new ATOM 1060 N SER A 134 -1.139 8.435 0.743 1.00 0.00 N ATOM 1061 CA SER A 134 -0.732 9.695 1.348 1.00 0.00 C ATOM 1062 C SER A 134 0.532 9.488 2.170 1.00 0.00 C ATOM 1063 O SER A 134 0.827 10.253 3.088 1.00 0.00 O ATOM 1064 CB SER A 134 -1.850 10.251 2.232 1.00 0.00 C ATOM 1065 OG SER A 134 -1.414 11.391 2.952 1.00 0.00 O ATOM 0 H SER A 134 -1.634 7.805 1.374 1.00 0.00 H new ATOM 0 HA SER A 134 -0.529 10.415 0.555 1.00 0.00 H new ATOM 0 HB2 SER A 134 -2.709 10.514 1.615 1.00 0.00 H new ATOM 0 HB3 SER A 134 -2.182 9.482 2.929 1.00 0.00 H new ATOM 0 HG SER A 134 -0.619 11.162 3.477 1.00 0.00 H new ATOM 1071 N PHE A 135 1.269 8.434 1.833 1.00 0.00 N ATOM 1072 CA PHE A 135 2.500 8.101 2.534 1.00 0.00 C ATOM 1073 C PHE A 135 3.662 8.955 2.031 1.00 0.00 C ATOM 1074 O PHE A 135 4.105 8.817 0.891 1.00 0.00 O ATOM 1075 CB PHE A 135 2.797 6.613 2.351 1.00 0.00 C ATOM 1076 CG PHE A 135 3.973 6.109 3.141 1.00 0.00 C ATOM 1077 CD1 PHE A 135 4.331 6.704 4.342 1.00 0.00 C ATOM 1078 CD2 PHE A 135 4.712 5.029 2.686 1.00 0.00 C ATOM 1079 CE1 PHE A 135 5.405 6.231 5.069 1.00 0.00 C ATOM 1080 CE2 PHE A 135 5.785 4.551 3.411 1.00 0.00 C ATOM 1081 CZ PHE A 135 6.132 5.153 4.604 1.00 0.00 C ATOM 0 H PHE A 135 1.032 7.794 1.075 1.00 0.00 H new ATOM 0 HA PHE A 135 2.375 8.313 3.596 1.00 0.00 H new ATOM 0 HB2 PHE A 135 1.913 6.042 2.635 1.00 0.00 H new ATOM 0 HB3 PHE A 135 2.976 6.419 1.293 1.00 0.00 H new ATOM 0 HD1 PHE A 135 3.764 7.545 4.712 1.00 0.00 H new ATOM 0 HD2 PHE A 135 4.445 4.555 1.753 1.00 0.00 H new ATOM 0 HE1 PHE A 135 5.677 6.704 6.001 1.00 0.00 H new ATOM 0 HE2 PHE A 135 6.352 3.708 3.046 1.00 0.00 H new ATOM 0 HZ PHE A 135 6.971 4.781 5.173 1.00 0.00 H new ATOM 1091 N LYS A 136 4.137 9.850 2.897 1.00 0.00 N ATOM 1092 CA LYS A 136 5.235 10.761 2.568 1.00 0.00 C ATOM 1093 C LYS A 136 6.376 10.066 1.826 1.00 0.00 C ATOM 1094 O LYS A 136 7.100 10.703 1.060 1.00 0.00 O ATOM 1095 CB LYS A 136 5.774 11.410 3.845 1.00 0.00 C ATOM 1096 CG LYS A 136 5.037 12.678 4.240 1.00 0.00 C ATOM 1097 CD LYS A 136 5.799 13.457 5.300 1.00 0.00 C ATOM 1098 CE LYS A 136 5.252 13.188 6.693 1.00 0.00 C ATOM 1099 NZ LYS A 136 4.407 14.311 7.184 1.00 0.00 N1+ ATOM 0 H LYS A 136 3.774 9.964 3.843 1.00 0.00 H new ATOM 0 HA LYS A 136 4.829 11.521 1.900 1.00 0.00 H new ATOM 0 HB2 LYS A 136 5.709 10.692 4.663 1.00 0.00 H new ATOM 0 HB3 LYS A 136 6.830 11.641 3.707 1.00 0.00 H new ATOM 0 HG2 LYS A 136 4.892 13.305 3.360 1.00 0.00 H new ATOM 0 HG3 LYS A 136 4.046 12.422 4.616 1.00 0.00 H new ATOM 0 HD2 LYS A 136 6.854 13.185 5.264 1.00 0.00 H new ATOM 0 HD3 LYS A 136 5.737 14.524 5.084 1.00 0.00 H new ATOM 0 HE2 LYS A 136 4.665 12.270 6.681 1.00 0.00 H new ATOM 0 HE3 LYS A 136 6.080 13.028 7.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 4.053 14.089 8.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 4.974 15.182 7.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 3.602 14.448 6.539 1.00 0.00 H new ATOM 1113 N LYS A 137 6.545 8.769 2.054 1.00 0.00 N ATOM 1114 CA LYS A 137 7.610 8.021 1.401 1.00 0.00 C ATOM 1115 C LYS A 137 7.201 7.612 -0.007 1.00 0.00 C ATOM 1116 O LYS A 137 8.026 7.577 -0.918 1.00 0.00 O ATOM 1117 CB LYS A 137 7.972 6.783 2.224 1.00 0.00 C ATOM 1118 CG LYS A 137 9.202 6.974 3.098 1.00 0.00 C ATOM 1119 CD LYS A 137 10.472 6.561 2.371 1.00 0.00 C ATOM 1120 CE LYS A 137 11.696 7.243 2.960 1.00 0.00 C ATOM 1121 NZ LYS A 137 12.961 6.598 2.512 1.00 0.00 N1+ ATOM 0 H LYS A 137 5.961 8.217 2.683 1.00 0.00 H new ATOM 0 HA LYS A 137 8.485 8.667 1.331 1.00 0.00 H new ATOM 0 HB2 LYS A 137 7.125 6.516 2.856 1.00 0.00 H new ATOM 0 HB3 LYS A 137 8.143 5.945 1.549 1.00 0.00 H new ATOM 0 HG2 LYS A 137 9.277 8.019 3.399 1.00 0.00 H new ATOM 0 HG3 LYS A 137 9.096 6.387 4.010 1.00 0.00 H new ATOM 0 HD2 LYS A 137 10.592 5.479 2.432 1.00 0.00 H new ATOM 0 HD3 LYS A 137 10.386 6.814 1.314 1.00 0.00 H new ATOM 0 HE2 LYS A 137 11.701 8.293 2.669 1.00 0.00 H new ATOM 0 HE3 LYS A 137 11.639 7.214 4.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 13.772 7.093 2.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 12.968 5.602 2.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 13.028 6.648 1.475 1.00 0.00 H new ATOM 1135 N VAL A 138 5.920 7.305 -0.178 1.00 0.00 N ATOM 1136 CA VAL A 138 5.406 6.904 -1.476 1.00 0.00 C ATOM 1137 C VAL A 138 5.035 8.121 -2.310 1.00 0.00 C ATOM 1138 O VAL A 138 5.401 8.217 -3.480 1.00 0.00 O ATOM 1139 CB VAL A 138 4.183 5.971 -1.337 1.00 0.00 C ATOM 1140 CG1 VAL A 138 3.483 5.785 -2.675 1.00 0.00 C ATOM 1141 CG2 VAL A 138 4.601 4.626 -0.755 1.00 0.00 C ATOM 0 H VAL A 138 5.222 7.327 0.566 1.00 0.00 H new ATOM 0 HA VAL A 138 6.200 6.355 -1.983 1.00 0.00 H new ATOM 0 HB VAL A 138 3.476 6.438 -0.652 1.00 0.00 H new ATOM 0 HG11 VAL A 138 2.626 5.124 -2.548 1.00 0.00 H new ATOM 0 HG12 VAL A 138 3.144 6.752 -3.046 1.00 0.00 H new ATOM 0 HG13 VAL A 138 4.177 5.345 -3.391 1.00 0.00 H new ATOM 0 HG21 VAL A 138 3.727 3.981 -0.664 1.00 0.00 H new ATOM 0 HG22 VAL A 138 5.332 4.156 -1.413 1.00 0.00 H new ATOM 0 HG23 VAL A 138 5.044 4.777 0.229 1.00 0.00 H new ATOM 1151 N LYS A 139 4.303 9.050 -1.710 1.00 0.00 N ATOM 1152 CA LYS A 139 3.896 10.250 -2.423 1.00 0.00 C ATOM 1153 C LYS A 139 5.106 11.047 -2.897 1.00 0.00 C ATOM 1154 O LYS A 139 4.995 11.876 -3.799 1.00 0.00 O ATOM 1155 CB LYS A 139 3.008 11.136 -1.560 1.00 0.00 C ATOM 1156 CG LYS A 139 3.665 11.603 -0.271 1.00 0.00 C ATOM 1157 CD LYS A 139 2.629 11.929 0.795 1.00 0.00 C ATOM 1158 CE LYS A 139 2.567 13.421 1.076 1.00 0.00 C ATOM 1159 NZ LYS A 139 1.284 13.811 1.725 1.00 0.00 N1+ ATOM 0 H LYS A 139 3.983 8.996 -0.743 1.00 0.00 H new ATOM 0 HA LYS A 139 3.325 9.925 -3.292 1.00 0.00 H new ATOM 0 HB2 LYS A 139 2.710 12.009 -2.141 1.00 0.00 H new ATOM 0 HB3 LYS A 139 2.097 10.590 -1.314 1.00 0.00 H new ATOM 0 HG2 LYS A 139 4.337 10.828 0.098 1.00 0.00 H new ATOM 0 HG3 LYS A 139 4.274 12.485 -0.470 1.00 0.00 H new ATOM 0 HD2 LYS A 139 1.649 11.578 0.471 1.00 0.00 H new ATOM 0 HD3 LYS A 139 2.871 11.395 1.714 1.00 0.00 H new ATOM 0 HE2 LYS A 139 3.400 13.704 1.719 1.00 0.00 H new ATOM 0 HE3 LYS A 139 2.684 13.971 0.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 1.281 14.836 1.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 0.490 13.564 1.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 1.184 13.305 2.628 1.00 0.00 H new ATOM 1173 N HIS A 140 6.263 10.783 -2.298 1.00 0.00 N ATOM 1174 CA HIS A 140 7.487 11.473 -2.682 1.00 0.00 C ATOM 1175 C HIS A 140 7.804 11.219 -4.153 1.00 0.00 C ATOM 1176 O HIS A 140 8.652 11.891 -4.739 1.00 0.00 O ATOM 1177 CB HIS A 140 8.655 11.014 -1.808 1.00 0.00 C ATOM 1178 CG HIS A 140 9.852 11.909 -1.891 1.00 0.00 C ATOM 1179 ND1 HIS A 140 11.146 11.450 -1.759 1.00 0.00 N ATOM 1180 CD2 HIS A 140 9.949 13.244 -2.098 1.00 0.00 C ATOM 1181 CE1 HIS A 140 11.985 12.464 -1.879 1.00 0.00 C ATOM 1182 NE2 HIS A 140 11.284 13.563 -2.085 1.00 0.00 N ATOM 0 H HIS A 140 6.378 10.100 -1.549 1.00 0.00 H new ATOM 0 HA HIS A 140 7.338 12.543 -2.535 1.00 0.00 H new ATOM 0 HB2 HIS A 140 8.323 10.960 -0.771 1.00 0.00 H new ATOM 0 HB3 HIS A 140 8.944 10.005 -2.103 1.00 0.00 H new ATOM 0 HD2 HIS A 140 9.128 13.930 -2.246 1.00 0.00 H new ATOM 0 HE1 HIS A 140 13.062 12.404 -1.819 1.00 0.00 H new ATOM 0 HE2 HIS A 140 11.671 14.498 -2.214 1.00 0.00 H new ATOM 1191 N LEU A 141 7.114 10.244 -4.746 1.00 0.00 N ATOM 1192 CA LEU A 141 7.325 9.907 -6.149 1.00 0.00 C ATOM 1193 C LEU A 141 6.529 10.840 -7.055 1.00 0.00 C ATOM 1194 O LEU A 141 7.098 11.611 -7.827 1.00 0.00 O ATOM 1195 CB LEU A 141 6.907 8.460 -6.417 1.00 0.00 C ATOM 1196 CG LEU A 141 7.293 7.455 -5.333 1.00 0.00 C ATOM 1197 CD1 LEU A 141 6.261 6.341 -5.254 1.00 0.00 C ATOM 1198 CD2 LEU A 141 8.677 6.888 -5.600 1.00 0.00 C ATOM 0 H LEU A 141 6.408 9.677 -4.277 1.00 0.00 H new ATOM 0 HA LEU A 141 8.387 10.023 -6.367 1.00 0.00 H new ATOM 0 HB2 LEU A 141 5.825 8.430 -6.548 1.00 0.00 H new ATOM 0 HB3 LEU A 141 7.351 8.140 -7.360 1.00 0.00 H new ATOM 0 HG LEU A 141 7.316 7.971 -4.373 1.00 0.00 H new ATOM 0 HD11 LEU A 141 6.549 5.632 -4.477 1.00 0.00 H new ATOM 0 HD12 LEU A 141 5.286 6.765 -5.015 1.00 0.00 H new ATOM 0 HD13 LEU A 141 6.207 5.826 -6.213 1.00 0.00 H new ATOM 0 HD21 LEU A 141 8.935 6.174 -4.818 1.00 0.00 H new ATOM 0 HD22 LEU A 141 8.684 6.385 -6.567 1.00 0.00 H new ATOM 0 HD23 LEU A 141 9.407 7.698 -5.607 1.00 0.00 H new ATOM 1210 N THR A 142 5.209 10.753 -6.955 1.00 0.00 N ATOM 1211 CA THR A 142 4.318 11.575 -7.763 1.00 0.00 C ATOM 1212 C THR A 142 2.917 11.582 -7.167 1.00 0.00 C ATOM 1213 O THR A 142 2.699 11.079 -6.067 1.00 0.00 O ATOM 1214 CB THR A 142 4.259 11.037 -9.197 1.00 0.00 C ATOM 1215 OG1 THR A 142 5.404 10.254 -9.485 1.00 0.00 O ATOM 1216 CG2 THR A 142 4.175 12.128 -10.244 1.00 0.00 C ATOM 0 H THR A 142 4.729 10.117 -6.318 1.00 0.00 H new ATOM 0 HA THR A 142 4.706 12.593 -7.775 1.00 0.00 H new ATOM 0 HB THR A 142 3.348 10.440 -9.244 1.00 0.00 H new ATOM 0 HG1 THR A 142 5.348 9.918 -10.404 1.00 0.00 H new ATOM 0 HG21 THR A 142 4.136 11.678 -11.236 1.00 0.00 H new ATOM 0 HG22 THR A 142 3.276 12.722 -10.080 1.00 0.00 H new ATOM 0 HG23 THR A 142 5.052 12.771 -10.171 1.00 0.00 H new ATOM 1224 N ARG A 143 1.967 12.129 -7.915 1.00 0.00 N ATOM 1225 CA ARG A 143 0.581 12.166 -7.472 1.00 0.00 C ATOM 1226 C ARG A 143 -0.107 10.841 -7.797 1.00 0.00 C ATOM 1227 O ARG A 143 -1.323 10.705 -7.655 1.00 0.00 O ATOM 1228 CB ARG A 143 -0.156 13.325 -8.144 1.00 0.00 C ATOM 1229 CG ARG A 143 -0.442 13.102 -9.622 1.00 0.00 C ATOM 1230 CD ARG A 143 -0.047 14.309 -10.458 1.00 0.00 C ATOM 1231 NE ARG A 143 -0.877 15.474 -10.163 1.00 0.00 N ATOM 1232 CZ ARG A 143 -0.578 16.714 -10.546 1.00 0.00 C ATOM 1233 NH1 ARG A 143 0.530 16.953 -11.237 1.00 0.00 N1+ ATOM 1234 NH2 ARG A 143 -1.388 17.716 -10.236 1.00 0.00 N ATOM 0 H ARG A 143 2.131 12.552 -8.829 1.00 0.00 H new ATOM 0 HA ARG A 143 0.558 12.318 -6.393 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -1.099 13.493 -7.623 1.00 0.00 H new ATOM 0 HB3 ARG A 143 0.437 14.233 -8.032 1.00 0.00 H new ATOM 0 HG2 ARG A 143 0.102 12.224 -9.970 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -1.503 12.895 -9.760 1.00 0.00 H new ATOM 0 HD2 ARG A 143 0.999 14.552 -10.272 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -0.133 14.061 -11.516 1.00 0.00 H new ATOM 0 HE ARG A 143 -1.736 15.329 -9.632 1.00 0.00 H new ATOM 0 HH11 ARG A 143 1.157 16.185 -11.477 1.00 0.00 H new ATOM 0 HH12 ARG A 143 0.754 17.905 -11.528 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -2.240 17.537 -9.704 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -1.159 18.666 -10.529 1.00 0.00 H new ATOM 1248 N ASP A 144 0.688 9.870 -8.244 1.00 0.00 N ATOM 1249 CA ASP A 144 0.188 8.553 -8.607 1.00 0.00 C ATOM 1250 C ASP A 144 -0.048 7.676 -7.378 1.00 0.00 C ATOM 1251 O ASP A 144 0.383 6.523 -7.335 1.00 0.00 O ATOM 1252 CB ASP A 144 1.179 7.870 -9.553 1.00 0.00 C ATOM 1253 CG ASP A 144 0.940 8.239 -11.004 1.00 0.00 C ATOM 1254 OD1 ASP A 144 -0.234 8.435 -11.382 1.00 0.00 O ATOM 1255 OD2 ASP A 144 1.928 8.330 -11.763 1.00 0.00 O1- ATOM 0 H ASP A 144 1.695 9.978 -8.363 1.00 0.00 H new ATOM 0 HA ASP A 144 -0.772 8.685 -9.107 1.00 0.00 H new ATOM 0 HB2 ASP A 144 2.195 8.148 -9.273 1.00 0.00 H new ATOM 0 HB3 ASP A 144 1.101 6.789 -9.438 1.00 0.00 H new ATOM 1260 N TRP A 145 -0.754 8.215 -6.391 1.00 0.00 N ATOM 1261 CA TRP A 145 -1.062 7.468 -5.186 1.00 0.00 C ATOM 1262 C TRP A 145 -2.107 6.410 -5.515 1.00 0.00 C ATOM 1263 O TRP A 145 -1.981 5.250 -5.127 1.00 0.00 O ATOM 1264 CB TRP A 145 -1.541 8.425 -4.095 1.00 0.00 C ATOM 1265 CG TRP A 145 -0.612 9.587 -3.904 1.00 0.00 C ATOM 1266 CD1 TRP A 145 0.692 9.660 -4.305 1.00 0.00 C ATOM 1267 CD2 TRP A 145 -0.908 10.835 -3.269 1.00 0.00 C ATOM 1268 NE1 TRP A 145 1.225 10.877 -3.960 1.00 0.00 N ATOM 1269 CE2 TRP A 145 0.263 11.618 -3.323 1.00 0.00 C ATOM 1270 CE3 TRP A 145 -2.048 11.369 -2.662 1.00 0.00 C ATOM 1271 CZ2 TRP A 145 0.324 12.903 -2.790 1.00 0.00 C ATOM 1272 CZ3 TRP A 145 -1.985 12.646 -2.135 1.00 0.00 C ATOM 1273 CH2 TRP A 145 -0.807 13.401 -2.202 1.00 0.00 C ATOM 0 H TRP A 145 -1.122 9.166 -6.405 1.00 0.00 H new ATOM 0 HA TRP A 145 -0.172 6.963 -4.810 1.00 0.00 H new ATOM 0 HB2 TRP A 145 -2.534 8.795 -4.351 1.00 0.00 H new ATOM 0 HB3 TRP A 145 -1.636 7.881 -3.155 1.00 0.00 H new ATOM 0 HD1 TRP A 145 1.226 8.874 -4.819 1.00 0.00 H new ATOM 0 HE1 TRP A 145 2.181 11.181 -4.147 1.00 0.00 H new ATOM 0 HE3 TRP A 145 -2.961 10.795 -2.606 1.00 0.00 H new ATOM 0 HZ2 TRP A 145 1.232 13.486 -2.839 1.00 0.00 H new ATOM 0 HZ3 TRP A 145 -2.860 13.069 -1.663 1.00 0.00 H new ATOM 0 HH2 TRP A 145 -0.791 14.396 -1.781 1.00 0.00 H new ATOM 1284 N ARG A 146 -3.111 6.815 -6.283 1.00 0.00 N ATOM 1285 CA ARG A 146 -4.158 5.898 -6.729 1.00 0.00 C ATOM 1286 C ARG A 146 -3.525 4.705 -7.434 1.00 0.00 C ATOM 1287 O ARG A 146 -4.042 3.585 -7.392 1.00 0.00 O ATOM 1288 CB ARG A 146 -5.113 6.613 -7.696 1.00 0.00 C ATOM 1289 CG ARG A 146 -4.410 7.454 -8.753 1.00 0.00 C ATOM 1290 CD ARG A 146 -5.262 8.639 -9.178 1.00 0.00 C ATOM 1291 NE ARG A 146 -4.737 9.291 -10.375 1.00 0.00 N ATOM 1292 CZ ARG A 146 -5.192 10.449 -10.848 1.00 0.00 C ATOM 1293 NH1 ARG A 146 -6.181 11.084 -10.230 1.00 0.00 N1+ ATOM 1294 NH2 ARG A 146 -4.657 10.974 -11.941 1.00 0.00 N ATOM 0 H ARG A 146 -3.224 7.774 -6.612 1.00 0.00 H new ATOM 0 HA ARG A 146 -4.721 5.556 -5.860 1.00 0.00 H new ATOM 0 HB2 ARG A 146 -5.735 5.868 -8.193 1.00 0.00 H new ATOM 0 HB3 ARG A 146 -5.782 7.254 -7.122 1.00 0.00 H new ATOM 0 HG2 ARG A 146 -3.457 7.811 -8.361 1.00 0.00 H new ATOM 0 HG3 ARG A 146 -4.186 6.835 -9.622 1.00 0.00 H new ATOM 0 HD2 ARG A 146 -6.282 8.303 -9.366 1.00 0.00 H new ATOM 0 HD3 ARG A 146 -5.310 9.362 -8.363 1.00 0.00 H new ATOM 0 HE ARG A 146 -3.977 8.832 -10.878 1.00 0.00 H new ATOM 0 HH11 ARG A 146 -6.596 10.685 -9.388 1.00 0.00 H new ATOM 0 HH12 ARG A 146 -6.526 11.971 -10.597 1.00 0.00 H new ATOM 0 HH21 ARG A 146 -3.897 10.491 -12.419 1.00 0.00 H new ATOM 0 HH22 ARG A 146 -5.005 11.861 -12.304 1.00 0.00 H new ATOM 1308 N THR A 147 -2.390 4.960 -8.076 1.00 0.00 N ATOM 1309 CA THR A 147 -1.666 3.922 -8.787 1.00 0.00 C ATOM 1310 C THR A 147 -0.973 2.996 -7.802 1.00 0.00 C ATOM 1311 O THR A 147 -0.726 1.832 -8.101 1.00 0.00 O ATOM 1312 CB THR A 147 -0.664 4.532 -9.779 1.00 0.00 C ATOM 1313 OG1 THR A 147 0.627 4.627 -9.207 1.00 0.00 O ATOM 1314 CG2 THR A 147 -1.056 5.912 -10.262 1.00 0.00 C ATOM 0 H THR A 147 -1.953 5.881 -8.116 1.00 0.00 H new ATOM 0 HA THR A 147 -2.380 3.334 -9.364 1.00 0.00 H new ATOM 0 HB THR A 147 -0.665 3.853 -10.632 1.00 0.00 H new ATOM 0 HG1 THR A 147 0.562 5.035 -8.319 1.00 0.00 H new ATOM 0 HG21 THR A 147 -0.304 6.281 -10.959 1.00 0.00 H new ATOM 0 HG22 THR A 147 -2.022 5.861 -10.764 1.00 0.00 H new ATOM 0 HG23 THR A 147 -1.125 6.589 -9.411 1.00 0.00 H new ATOM 1322 N THR A 148 -0.688 3.511 -6.610 1.00 0.00 N ATOM 1323 CA THR A 148 -0.056 2.708 -5.573 1.00 0.00 C ATOM 1324 C THR A 148 -0.948 1.525 -5.219 1.00 0.00 C ATOM 1325 O THR A 148 -0.467 0.440 -4.884 1.00 0.00 O ATOM 1326 CB THR A 148 0.201 3.548 -4.320 1.00 0.00 C ATOM 1327 OG1 THR A 148 1.048 4.646 -4.610 1.00 0.00 O ATOM 1328 CG2 THR A 148 0.832 2.762 -3.189 1.00 0.00 C ATOM 0 H THR A 148 -0.884 4.475 -6.341 1.00 0.00 H new ATOM 0 HA THR A 148 0.899 2.345 -5.953 1.00 0.00 H new ATOM 0 HB THR A 148 -0.783 3.888 -3.998 1.00 0.00 H new ATOM 0 HG1 THR A 148 0.947 5.330 -3.915 1.00 0.00 H new ATOM 0 HG21 THR A 148 0.987 3.418 -2.332 1.00 0.00 H new ATOM 0 HG22 THR A 148 0.173 1.942 -2.904 1.00 0.00 H new ATOM 0 HG23 THR A 148 1.791 2.360 -3.516 1.00 0.00 H new ATOM 1336 N ALA A 149 -2.256 1.749 -5.293 1.00 0.00 N ATOM 1337 CA ALA A 149 -3.231 0.718 -4.977 1.00 0.00 C ATOM 1338 C ALA A 149 -3.291 -0.349 -6.068 1.00 0.00 C ATOM 1339 O ALA A 149 -3.190 -1.541 -5.782 1.00 0.00 O ATOM 1340 CB ALA A 149 -4.600 1.345 -4.755 1.00 0.00 C ATOM 0 H ALA A 149 -2.664 2.641 -5.571 1.00 0.00 H new ATOM 0 HA ALA A 149 -2.917 0.224 -4.058 1.00 0.00 H new ATOM 0 HB1 ALA A 149 -5.324 0.565 -4.519 1.00 0.00 H new ATOM 0 HB2 ALA A 149 -4.546 2.053 -3.928 1.00 0.00 H new ATOM 0 HB3 ALA A 149 -4.912 1.867 -5.659 1.00 0.00 H new ATOM 1346 N HIS A 150 -3.455 0.080 -7.317 1.00 0.00 N ATOM 1347 CA HIS A 150 -3.523 -0.862 -8.433 1.00 0.00 C ATOM 1348 C HIS A 150 -2.148 -1.436 -8.746 1.00 0.00 C ATOM 1349 O HIS A 150 -2.019 -2.611 -9.087 1.00 0.00 O ATOM 1350 CB HIS A 150 -4.095 -0.186 -9.676 1.00 0.00 C ATOM 1351 CG HIS A 150 -5.525 -0.539 -9.944 1.00 0.00 C ATOM 1352 ND1 HIS A 150 -6.538 -0.313 -9.037 1.00 0.00 N ATOM 1353 CD2 HIS A 150 -6.110 -1.104 -11.027 1.00 0.00 C ATOM 1354 CE1 HIS A 150 -7.685 -0.725 -9.549 1.00 0.00 C ATOM 1355 NE2 HIS A 150 -7.452 -1.210 -10.755 1.00 0.00 N ATOM 0 H HIS A 150 -3.542 1.061 -7.581 1.00 0.00 H new ATOM 0 HA HIS A 150 -4.183 -1.678 -8.138 1.00 0.00 H new ATOM 0 HB2 HIS A 150 -4.011 0.895 -9.563 1.00 0.00 H new ATOM 0 HB3 HIS A 150 -3.492 -0.464 -10.541 1.00 0.00 H new ATOM 0 HD2 HIS A 150 -5.614 -1.413 -11.935 1.00 0.00 H new ATOM 0 HE1 HIS A 150 -8.648 -0.674 -9.064 1.00 0.00 H new ATOM 0 HE2 HIS A 150 -8.155 -1.600 -11.383 1.00 0.00 H new ATOM 1364 N ALA A 151 -1.118 -0.605 -8.629 1.00 0.00 N ATOM 1365 CA ALA A 151 0.244 -1.051 -8.903 1.00 0.00 C ATOM 1366 C ALA A 151 0.549 -2.335 -8.139 1.00 0.00 C ATOM 1367 O ALA A 151 1.143 -3.268 -8.678 1.00 0.00 O ATOM 1368 CB ALA A 151 1.248 0.033 -8.539 1.00 0.00 C ATOM 0 H ALA A 151 -1.198 0.373 -8.349 1.00 0.00 H new ATOM 0 HA ALA A 151 0.329 -1.254 -9.971 1.00 0.00 H new ATOM 0 HB1 ALA A 151 2.257 -0.320 -8.751 1.00 0.00 H new ATOM 0 HB2 ALA A 151 1.046 0.928 -9.127 1.00 0.00 H new ATOM 0 HB3 ALA A 151 1.161 0.268 -7.478 1.00 0.00 H new ATOM 1374 N LEU A 152 0.120 -2.381 -6.883 1.00 0.00 N ATOM 1375 CA LEU A 152 0.330 -3.552 -6.049 1.00 0.00 C ATOM 1376 C LEU A 152 -0.481 -4.727 -6.561 1.00 0.00 C ATOM 1377 O LEU A 152 -0.013 -5.862 -6.569 1.00 0.00 O ATOM 1378 CB LEU A 152 -0.052 -3.226 -4.613 1.00 0.00 C ATOM 1379 CG LEU A 152 1.103 -2.787 -3.721 1.00 0.00 C ATOM 1380 CD1 LEU A 152 2.185 -2.074 -4.528 1.00 0.00 C ATOM 1381 CD2 LEU A 152 0.594 -1.889 -2.607 1.00 0.00 C ATOM 0 H LEU A 152 -0.376 -1.618 -6.422 1.00 0.00 H new ATOM 0 HA LEU A 152 1.383 -3.830 -6.086 1.00 0.00 H new ATOM 0 HB2 LEU A 152 -0.803 -2.436 -4.624 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -0.520 -4.105 -4.169 1.00 0.00 H new ATOM 0 HG LEU A 152 1.548 -3.679 -3.280 1.00 0.00 H new ATOM 0 HD11 LEU A 152 2.995 -1.773 -3.864 1.00 0.00 H new ATOM 0 HD12 LEU A 152 2.573 -2.748 -5.292 1.00 0.00 H new ATOM 0 HD13 LEU A 152 1.760 -1.191 -5.006 1.00 0.00 H new ATOM 0 HD21 LEU A 152 1.429 -1.582 -1.977 1.00 0.00 H new ATOM 0 HD22 LEU A 152 0.121 -1.006 -3.038 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -0.134 -2.433 -2.005 1.00 0.00 H new ATOM 1393 N LYS A 153 -1.695 -4.442 -7.005 1.00 0.00 N ATOM 1394 CA LYS A 153 -2.567 -5.477 -7.549 1.00 0.00 C ATOM 1395 C LYS A 153 -1.824 -6.256 -8.635 1.00 0.00 C ATOM 1396 O LYS A 153 -2.110 -7.428 -8.883 1.00 0.00 O ATOM 1397 CB LYS A 153 -3.854 -4.856 -8.112 1.00 0.00 C ATOM 1398 CG LYS A 153 -4.576 -5.732 -9.128 1.00 0.00 C ATOM 1399 CD LYS A 153 -5.832 -5.057 -9.655 1.00 0.00 C ATOM 1400 CE LYS A 153 -6.917 -4.988 -8.592 1.00 0.00 C ATOM 1401 NZ LYS A 153 -7.504 -6.327 -8.309 1.00 0.00 N1+ ATOM 0 H LYS A 153 -2.100 -3.506 -7.001 1.00 0.00 H new ATOM 0 HA LYS A 153 -2.846 -6.163 -6.750 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -4.532 -4.642 -7.286 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -3.610 -3.902 -8.580 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -3.906 -5.955 -9.958 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -4.840 -6.684 -8.667 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -5.590 -4.050 -9.995 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -6.204 -5.604 -10.521 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -6.500 -4.573 -7.674 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -7.704 -4.309 -8.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -8.542 -6.260 -8.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -7.195 -7.002 -9.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -7.185 -6.655 -7.375 1.00 0.00 H new ATOM 1415 N TYR A 154 -0.852 -5.595 -9.265 1.00 0.00 N ATOM 1416 CA TYR A 154 -0.046 -6.219 -10.309 1.00 0.00 C ATOM 1417 C TYR A 154 1.314 -6.641 -9.754 1.00 0.00 C ATOM 1418 O TYR A 154 2.258 -6.885 -10.506 1.00 0.00 O ATOM 1419 CB TYR A 154 0.144 -5.258 -11.483 1.00 0.00 C ATOM 1420 CG TYR A 154 -1.149 -4.672 -12.004 1.00 0.00 C ATOM 1421 CD1 TYR A 154 -1.993 -5.417 -12.819 1.00 0.00 C ATOM 1422 CD2 TYR A 154 -1.526 -3.374 -11.683 1.00 0.00 C ATOM 1423 CE1 TYR A 154 -3.175 -4.886 -13.298 1.00 0.00 C ATOM 1424 CE2 TYR A 154 -2.705 -2.836 -12.158 1.00 0.00 C ATOM 1425 CZ TYR A 154 -3.526 -3.596 -12.964 1.00 0.00 C ATOM 1426 OH TYR A 154 -4.702 -3.062 -13.440 1.00 0.00 O ATOM 0 H TYR A 154 -0.605 -4.625 -9.068 1.00 0.00 H new ATOM 0 HA TYR A 154 -0.571 -7.106 -10.663 1.00 0.00 H new ATOM 0 HB2 TYR A 154 0.802 -4.446 -11.174 1.00 0.00 H new ATOM 0 HB3 TYR A 154 0.647 -5.784 -12.294 1.00 0.00 H new ATOM 0 HD1 TYR A 154 -1.720 -6.428 -13.082 1.00 0.00 H new ATOM 0 HD2 TYR A 154 -0.886 -2.776 -11.051 1.00 0.00 H new ATOM 0 HE1 TYR A 154 -3.820 -5.478 -13.930 1.00 0.00 H new ATOM 0 HE2 TYR A 154 -2.983 -1.825 -11.900 1.00 0.00 H new ATOM 0 HH TYR A 154 -5.360 -3.778 -13.563 1.00 0.00 H new ATOM 1436 N SER A 155 1.397 -6.732 -8.430 1.00 0.00 N ATOM 1437 CA SER A 155 2.617 -7.129 -7.749 1.00 0.00 C ATOM 1438 C SER A 155 2.290 -8.183 -6.707 1.00 0.00 C ATOM 1439 O SER A 155 1.768 -7.874 -5.636 1.00 0.00 O ATOM 1440 CB SER A 155 3.280 -5.923 -7.086 1.00 0.00 C ATOM 1441 OG SER A 155 4.057 -5.192 -8.019 1.00 0.00 O ATOM 0 H SER A 155 0.618 -6.532 -7.802 1.00 0.00 H new ATOM 0 HA SER A 155 3.313 -7.542 -8.479 1.00 0.00 H new ATOM 0 HB2 SER A 155 2.516 -5.275 -6.657 1.00 0.00 H new ATOM 0 HB3 SER A 155 3.913 -6.258 -6.264 1.00 0.00 H new ATOM 0 HG SER A 155 3.551 -4.410 -8.324 1.00 0.00 H new ATOM 1447 N VAL A 156 2.585 -9.429 -7.035 1.00 0.00 N ATOM 1448 CA VAL A 156 2.310 -10.530 -6.139 1.00 0.00 C ATOM 1449 C VAL A 156 3.460 -10.745 -5.167 1.00 0.00 C ATOM 1450 O VAL A 156 3.432 -11.663 -4.348 1.00 0.00 O ATOM 1451 CB VAL A 156 2.030 -11.818 -6.931 1.00 0.00 C ATOM 1452 CG1 VAL A 156 3.295 -12.323 -7.613 1.00 0.00 C ATOM 1453 CG2 VAL A 156 1.429 -12.887 -6.029 1.00 0.00 C ATOM 0 H VAL A 156 3.016 -9.700 -7.919 1.00 0.00 H new ATOM 0 HA VAL A 156 1.421 -10.277 -5.562 1.00 0.00 H new ATOM 0 HB VAL A 156 1.302 -11.587 -7.709 1.00 0.00 H new ATOM 0 HG11 VAL A 156 3.071 -13.235 -8.167 1.00 0.00 H new ATOM 0 HG12 VAL A 156 3.666 -11.563 -8.301 1.00 0.00 H new ATOM 0 HG13 VAL A 156 4.055 -12.533 -6.860 1.00 0.00 H new ATOM 0 HG21 VAL A 156 1.239 -13.789 -6.611 1.00 0.00 H new ATOM 0 HG22 VAL A 156 2.125 -13.115 -5.222 1.00 0.00 H new ATOM 0 HG23 VAL A 156 0.492 -12.523 -5.608 1.00 0.00 H new ATOM 1463 N VAL A 157 4.467 -9.878 -5.248 1.00 0.00 N ATOM 1464 CA VAL A 157 5.609 -9.967 -4.361 1.00 0.00 C ATOM 1465 C VAL A 157 5.156 -9.772 -2.921 1.00 0.00 C ATOM 1466 O VAL A 157 5.700 -10.374 -1.996 1.00 0.00 O ATOM 1467 CB VAL A 157 6.681 -8.917 -4.708 1.00 0.00 C ATOM 1468 CG1 VAL A 157 7.917 -9.105 -3.839 1.00 0.00 C ATOM 1469 CG2 VAL A 157 7.041 -8.991 -6.185 1.00 0.00 C ATOM 0 H VAL A 157 4.509 -9.111 -5.919 1.00 0.00 H new ATOM 0 HA VAL A 157 6.051 -10.956 -4.484 1.00 0.00 H new ATOM 0 HB VAL A 157 6.272 -7.927 -4.506 1.00 0.00 H new ATOM 0 HG11 VAL A 157 8.663 -8.354 -4.099 1.00 0.00 H new ATOM 0 HG12 VAL A 157 7.644 -8.996 -2.789 1.00 0.00 H new ATOM 0 HG13 VAL A 157 8.331 -10.100 -4.005 1.00 0.00 H new ATOM 0 HG21 VAL A 157 7.800 -8.242 -6.413 1.00 0.00 H new ATOM 0 HG22 VAL A 157 7.430 -9.983 -6.416 1.00 0.00 H new ATOM 0 HG23 VAL A 157 6.152 -8.801 -6.786 1.00 0.00 H new ATOM 1479 N LEU A 158 4.135 -8.934 -2.747 1.00 0.00 N ATOM 1480 CA LEU A 158 3.578 -8.662 -1.433 1.00 0.00 C ATOM 1481 C LEU A 158 2.149 -9.188 -1.374 1.00 0.00 C ATOM 1482 O LEU A 158 1.514 -9.380 -2.411 1.00 0.00 O ATOM 1483 CB LEU A 158 3.585 -7.156 -1.142 1.00 0.00 C ATOM 1484 CG LEU A 158 4.968 -6.503 -1.024 1.00 0.00 C ATOM 1485 CD1 LEU A 158 5.671 -6.945 0.250 1.00 0.00 C ATOM 1486 CD2 LEU A 158 5.823 -6.820 -2.243 1.00 0.00 C ATOM 0 H LEU A 158 3.678 -8.431 -3.508 1.00 0.00 H new ATOM 0 HA LEU A 158 4.189 -9.162 -0.681 1.00 0.00 H new ATOM 0 HB2 LEU A 158 3.032 -6.650 -1.933 1.00 0.00 H new ATOM 0 HB3 LEU A 158 3.042 -6.983 -0.213 1.00 0.00 H new ATOM 0 HG LEU A 158 4.825 -5.423 -0.977 1.00 0.00 H new ATOM 0 HD11 LEU A 158 6.649 -6.468 0.310 1.00 0.00 H new ATOM 0 HD12 LEU A 158 5.073 -6.656 1.114 1.00 0.00 H new ATOM 0 HD13 LEU A 158 5.795 -8.028 0.240 1.00 0.00 H new ATOM 0 HD21 LEU A 158 6.799 -6.346 -2.136 1.00 0.00 H new ATOM 0 HD22 LEU A 158 5.951 -7.899 -2.327 1.00 0.00 H new ATOM 0 HD23 LEU A 158 5.332 -6.442 -3.140 1.00 0.00 H new ATOM 1498 N GLU A 159 1.634 -9.409 -0.172 1.00 0.00 N ATOM 1499 CA GLU A 159 0.271 -9.898 -0.026 1.00 0.00 C ATOM 1500 C GLU A 159 -0.663 -8.728 0.252 1.00 0.00 C ATOM 1501 O GLU A 159 -0.624 -8.135 1.318 1.00 0.00 O ATOM 1502 CB GLU A 159 0.198 -10.934 1.103 1.00 0.00 C ATOM 1503 CG GLU A 159 -1.197 -11.132 1.673 1.00 0.00 C ATOM 1504 CD GLU A 159 -2.195 -11.596 0.629 1.00 0.00 C ATOM 1505 OE1 GLU A 159 -2.477 -10.820 -0.309 1.00 0.00 O ATOM 1506 OE2 GLU A 159 -2.693 -12.734 0.748 1.00 0.00 O1- ATOM 0 H GLU A 159 2.132 -9.260 0.705 1.00 0.00 H new ATOM 0 HA GLU A 159 -0.041 -10.383 -0.951 1.00 0.00 H new ATOM 0 HB2 GLU A 159 0.565 -11.890 0.729 1.00 0.00 H new ATOM 0 HB3 GLU A 159 0.867 -10.628 1.907 1.00 0.00 H new ATOM 0 HG2 GLU A 159 -1.155 -11.863 2.480 1.00 0.00 H new ATOM 0 HG3 GLU A 159 -1.543 -10.195 2.110 1.00 0.00 H new ATOM 1513 N LEU A 160 -1.495 -8.404 -0.723 1.00 0.00 N ATOM 1514 CA LEU A 160 -2.436 -7.297 -0.603 1.00 0.00 C ATOM 1515 C LEU A 160 -3.737 -7.751 0.046 1.00 0.00 C ATOM 1516 O LEU A 160 -4.139 -8.902 -0.127 1.00 0.00 O ATOM 1517 CB LEU A 160 -2.754 -6.771 -2.004 1.00 0.00 C ATOM 1518 CG LEU A 160 -1.779 -5.760 -2.604 1.00 0.00 C ATOM 1519 CD1 LEU A 160 -2.369 -4.356 -2.577 1.00 0.00 C ATOM 1520 CD2 LEU A 160 -0.424 -5.822 -1.905 1.00 0.00 C ATOM 0 H LEU A 160 -1.540 -8.896 -1.616 1.00 0.00 H new ATOM 0 HA LEU A 160 -1.984 -6.523 0.017 1.00 0.00 H new ATOM 0 HB2 LEU A 160 -2.816 -7.624 -2.680 1.00 0.00 H new ATOM 0 HB3 LEU A 160 -3.743 -6.313 -1.977 1.00 0.00 H new ATOM 0 HG LEU A 160 -1.613 -6.024 -3.649 1.00 0.00 H new ATOM 0 HD11 LEU A 160 -1.656 -3.654 -3.009 1.00 0.00 H new ATOM 0 HD12 LEU A 160 -3.293 -4.338 -3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 160 -2.581 -4.070 -1.547 1.00 0.00 H new ATOM 0 HD21 LEU A 160 0.250 -5.092 -2.353 1.00 0.00 H new ATOM 0 HD22 LEU A 160 -0.550 -5.598 -0.846 1.00 0.00 H new ATOM 0 HD23 LEU A 160 -0.002 -6.821 -2.017 1.00 0.00 H new ATOM 1532 N ASN A 161 -4.442 -6.846 0.738 1.00 0.00 N ATOM 1533 CA ASN A 161 -5.730 -7.243 1.306 1.00 0.00 C ATOM 1534 C ASN A 161 -6.631 -7.486 0.128 1.00 0.00 C ATOM 1535 O ASN A 161 -6.370 -6.892 -0.915 1.00 0.00 O ATOM 1536 CB ASN A 161 -6.343 -6.173 2.214 1.00 0.00 C ATOM 1537 CG ASN A 161 -7.768 -6.504 2.622 1.00 0.00 C ATOM 1538 OD1 ASN A 161 -8.725 -5.940 2.092 1.00 0.00 O ATOM 1539 ND2 ASN A 161 -7.913 -7.424 3.568 1.00 0.00 N ATOM 0 H ASN A 161 -4.159 -5.882 0.911 1.00 0.00 H new ATOM 0 HA ASN A 161 -5.600 -8.123 1.936 1.00 0.00 H new ATOM 0 HB2 ASN A 161 -5.729 -6.064 3.108 1.00 0.00 H new ATOM 0 HB3 ASN A 161 -6.330 -5.213 1.699 1.00 0.00 H new ATOM 0 HD21 ASN A 161 -8.846 -7.689 3.883 1.00 0.00 H new ATOM 0 HD22 ASN A 161 -7.091 -7.866 3.980 1.00 0.00 H new ATOM 1546 N GLU A 162 -7.648 -8.345 0.337 1.00 0.00 N ATOM 1547 CA GLU A 162 -8.618 -8.806 -0.680 1.00 0.00 C ATOM 1548 C GLU A 162 -9.029 -7.785 -1.730 1.00 0.00 C ATOM 1549 O GLU A 162 -8.935 -8.073 -2.924 1.00 0.00 O ATOM 1550 CB GLU A 162 -9.869 -9.341 0.018 1.00 0.00 C ATOM 1551 CG GLU A 162 -10.614 -8.294 0.828 1.00 0.00 C ATOM 1552 CD GLU A 162 -11.723 -7.625 0.039 1.00 0.00 C ATOM 1553 OE1 GLU A 162 -11.756 -7.791 -1.199 1.00 0.00 O1- ATOM 1554 OE2 GLU A 162 -12.559 -6.932 0.659 1.00 0.00 O ATOM 0 H GLU A 162 -7.825 -8.754 1.255 1.00 0.00 H new ATOM 0 HA GLU A 162 -8.089 -9.581 -1.235 1.00 0.00 H new ATOM 0 HB2 GLU A 162 -10.543 -9.754 -0.732 1.00 0.00 H new ATOM 0 HB3 GLU A 162 -9.584 -10.161 0.677 1.00 0.00 H new ATOM 0 HG2 GLU A 162 -11.037 -8.761 1.717 1.00 0.00 H new ATOM 0 HG3 GLU A 162 -9.909 -7.536 1.171 1.00 0.00 H new ATOM 1561 N ASP A 163 -9.453 -6.606 -1.333 1.00 0.00 N ATOM 1562 CA ASP A 163 -9.822 -5.600 -2.319 1.00 0.00 C ATOM 1563 C ASP A 163 -8.558 -4.873 -2.710 1.00 0.00 C ATOM 1564 O ASP A 163 -8.566 -3.675 -2.995 1.00 0.00 O ATOM 1565 CB ASP A 163 -10.856 -4.625 -1.747 1.00 0.00 C ATOM 1566 CG ASP A 163 -12.053 -4.450 -2.662 1.00 0.00 C ATOM 1567 OD1 ASP A 163 -12.340 -5.378 -3.448 1.00 0.00 O1- ATOM 1568 OD2 ASP A 163 -12.702 -3.386 -2.593 1.00 0.00 O ATOM 0 H ASP A 163 -9.552 -6.319 -0.359 1.00 0.00 H new ATOM 0 HA ASP A 163 -10.279 -6.070 -3.190 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -11.194 -4.987 -0.776 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -10.385 -3.656 -1.580 1.00 0.00 H new ATOM 1573 N HIS A 164 -7.453 -5.620 -2.634 1.00 0.00 N ATOM 1574 CA HIS A 164 -6.132 -5.101 -2.881 1.00 0.00 C ATOM 1575 C HIS A 164 -6.022 -3.727 -2.280 1.00 0.00 C ATOM 1576 O HIS A 164 -5.323 -2.843 -2.776 1.00 0.00 O ATOM 1577 CB HIS A 164 -5.770 -5.152 -4.352 1.00 0.00 C ATOM 1578 CG HIS A 164 -5.743 -6.563 -4.846 1.00 0.00 C ATOM 1579 ND1 HIS A 164 -5.657 -6.907 -6.175 1.00 0.00 N ATOM 1580 CD2 HIS A 164 -5.794 -7.731 -4.153 1.00 0.00 C ATOM 1581 CE1 HIS A 164 -5.656 -8.225 -6.286 1.00 0.00 C ATOM 1582 NE2 HIS A 164 -5.738 -8.747 -5.074 1.00 0.00 N ATOM 0 H HIS A 164 -7.465 -6.612 -2.396 1.00 0.00 H new ATOM 0 HA HIS A 164 -5.393 -5.736 -2.393 1.00 0.00 H new ATOM 0 HB2 HIS A 164 -6.492 -4.574 -4.929 1.00 0.00 H new ATOM 0 HB3 HIS A 164 -4.795 -4.689 -4.507 1.00 0.00 H new ATOM 0 HD2 HIS A 164 -5.865 -7.839 -3.081 1.00 0.00 H new ATOM 0 HE1 HIS A 164 -5.598 -8.781 -7.210 1.00 0.00 H new ATOM 0 HE2 HIS A 164 -5.757 -9.744 -4.858 1.00 0.00 H new ATOM 1591 N ARG A 165 -6.727 -3.595 -1.164 1.00 0.00 N ATOM 1592 CA ARG A 165 -6.745 -2.384 -0.406 1.00 0.00 C ATOM 1593 C ARG A 165 -5.601 -2.399 0.566 1.00 0.00 C ATOM 1594 O ARG A 165 -5.220 -1.348 1.083 1.00 0.00 O ATOM 1595 CB ARG A 165 -8.067 -2.209 0.347 1.00 0.00 C ATOM 1596 CG ARG A 165 -8.685 -3.508 0.837 1.00 0.00 C ATOM 1597 CD ARG A 165 -9.455 -3.304 2.133 1.00 0.00 C ATOM 1598 NE ARG A 165 -10.304 -2.115 2.086 1.00 0.00 N ATOM 1599 CZ ARG A 165 -11.502 -2.083 1.506 1.00 0.00 C ATOM 1600 NH1 ARG A 165 -11.996 -3.168 0.922 1.00 0.00 N1+ ATOM 1601 NH2 ARG A 165 -12.209 -0.960 1.510 1.00 0.00 N ATOM 0 H ARG A 165 -7.301 -4.340 -0.770 1.00 0.00 H new ATOM 0 HA ARG A 165 -6.645 -1.544 -1.094 1.00 0.00 H new ATOM 0 HB2 ARG A 165 -7.900 -1.554 1.202 1.00 0.00 H new ATOM 0 HB3 ARG A 165 -8.780 -1.705 -0.306 1.00 0.00 H new ATOM 0 HG2 ARG A 165 -9.354 -3.905 0.073 1.00 0.00 H new ATOM 0 HG3 ARG A 165 -7.901 -4.250 0.991 1.00 0.00 H new ATOM 0 HD2 ARG A 165 -10.071 -4.181 2.330 1.00 0.00 H new ATOM 0 HD3 ARG A 165 -8.752 -3.215 2.962 1.00 0.00 H new ATOM 0 HE ARG A 165 -9.959 -1.260 2.523 1.00 0.00 H new ATOM 0 HH11 ARG A 165 -11.457 -4.034 0.916 1.00 0.00 H new ATOM 0 HH12 ARG A 165 -12.915 -3.136 0.480 1.00 0.00 H new ATOM 0 HH21 ARG A 165 -11.834 -0.123 1.957 1.00 0.00 H new ATOM 0 HH22 ARG A 165 -13.127 -0.934 1.066 1.00 0.00 H new ATOM 1615 N LYS A 166 -5.025 -3.584 0.827 1.00 0.00 N ATOM 1616 CA LYS A 166 -3.897 -3.593 1.770 1.00 0.00 C ATOM 1617 C LYS A 166 -2.664 -4.245 1.187 1.00 0.00 C ATOM 1618 O LYS A 166 -2.658 -4.675 0.039 1.00 0.00 O ATOM 1619 CB LYS A 166 -4.262 -4.254 3.097 1.00 0.00 C ATOM 1620 CG LYS A 166 -5.551 -3.723 3.709 1.00 0.00 C ATOM 1621 CD LYS A 166 -5.931 -4.491 4.966 1.00 0.00 C ATOM 1622 CE LYS A 166 -6.408 -3.556 6.067 1.00 0.00 C ATOM 1623 NZ LYS A 166 -5.309 -3.193 7.002 1.00 0.00 N1+ ATOM 0 H LYS A 166 -5.295 -4.485 0.432 1.00 0.00 H new ATOM 0 HA LYS A 166 -3.664 -2.546 1.963 1.00 0.00 H new ATOM 0 HB2 LYS A 166 -4.359 -5.329 2.943 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -3.446 -4.105 3.804 1.00 0.00 H new ATOM 0 HG2 LYS A 166 -5.432 -2.666 3.949 1.00 0.00 H new ATOM 0 HG3 LYS A 166 -6.358 -3.795 2.980 1.00 0.00 H new ATOM 0 HD2 LYS A 166 -6.717 -5.209 4.731 1.00 0.00 H new ATOM 0 HD3 LYS A 166 -5.072 -5.062 5.319 1.00 0.00 H new ATOM 0 HE2 LYS A 166 -6.819 -2.650 5.621 1.00 0.00 H new ATOM 0 HE3 LYS A 166 -7.215 -4.032 6.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 -5.515 -2.272 7.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 -5.230 -3.918 7.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 -4.413 -3.135 6.478 1.00 0.00 H new ATOM 1637 N VAL A 167 -1.624 -4.308 2.000 1.00 0.00 N ATOM 1638 CA VAL A 167 -0.370 -4.904 1.595 1.00 0.00 C ATOM 1639 C VAL A 167 0.371 -5.433 2.809 1.00 0.00 C ATOM 1640 O VAL A 167 1.180 -4.745 3.429 1.00 0.00 O ATOM 1641 CB VAL A 167 0.498 -3.914 0.791 1.00 0.00 C ATOM 1642 CG1 VAL A 167 0.543 -2.546 1.461 1.00 0.00 C ATOM 1643 CG2 VAL A 167 1.906 -4.452 0.577 1.00 0.00 C ATOM 0 H VAL A 167 -1.628 -3.948 2.954 1.00 0.00 H new ATOM 0 HA VAL A 167 -0.588 -5.741 0.932 1.00 0.00 H new ATOM 0 HB VAL A 167 0.031 -3.798 -0.187 1.00 0.00 H new ATOM 0 HG11 VAL A 167 1.162 -1.872 0.870 1.00 0.00 H new ATOM 0 HG12 VAL A 167 -0.467 -2.142 1.532 1.00 0.00 H new ATOM 0 HG13 VAL A 167 0.966 -2.644 2.461 1.00 0.00 H new ATOM 0 HG21 VAL A 167 2.489 -3.729 0.007 1.00 0.00 H new ATOM 0 HG22 VAL A 167 2.382 -4.621 1.543 1.00 0.00 H new ATOM 0 HG23 VAL A 167 1.857 -5.392 0.027 1.00 0.00 H new ATOM 1653 N ARG A 168 0.062 -6.675 3.132 1.00 0.00 N ATOM 1654 CA ARG A 168 0.663 -7.364 4.265 1.00 0.00 C ATOM 1655 C ARG A 168 1.659 -8.415 3.783 1.00 0.00 C ATOM 1656 O ARG A 168 1.739 -8.701 2.588 1.00 0.00 O ATOM 1657 CB ARG A 168 -0.426 -8.027 5.114 1.00 0.00 C ATOM 1658 CG ARG A 168 0.016 -8.362 6.530 1.00 0.00 C ATOM 1659 CD ARG A 168 0.173 -9.863 6.725 1.00 0.00 C ATOM 1660 NE ARG A 168 0.952 -10.181 7.919 1.00 0.00 N ATOM 1661 CZ ARG A 168 0.943 -11.373 8.514 1.00 0.00 C ATOM 1662 NH1 ARG A 168 0.200 -12.359 8.028 1.00 0.00 N1+ ATOM 1663 NH2 ARG A 168 1.680 -11.578 9.597 1.00 0.00 N ATOM 0 H ARG A 168 -0.614 -7.238 2.616 1.00 0.00 H new ATOM 0 HA ARG A 168 1.194 -6.633 4.874 1.00 0.00 H new ATOM 0 HB2 ARG A 168 -1.290 -7.365 5.161 1.00 0.00 H new ATOM 0 HB3 ARG A 168 -0.752 -8.942 4.619 1.00 0.00 H new ATOM 0 HG2 ARG A 168 0.962 -7.865 6.744 1.00 0.00 H new ATOM 0 HG3 ARG A 168 -0.714 -7.976 7.241 1.00 0.00 H new ATOM 0 HD2 ARG A 168 -0.812 -10.324 6.801 1.00 0.00 H new ATOM 0 HD3 ARG A 168 0.659 -10.293 5.850 1.00 0.00 H new ATOM 0 HE ARG A 168 1.537 -9.448 8.320 1.00 0.00 H new ATOM 0 HH11 ARG A 168 -0.368 -12.206 7.195 1.00 0.00 H new ATOM 0 HH12 ARG A 168 0.197 -13.270 8.488 1.00 0.00 H new ATOM 0 HH21 ARG A 168 2.253 -10.823 9.974 1.00 0.00 H new ATOM 0 HH22 ARG A 168 1.674 -12.490 10.053 1.00 0.00 H new ATOM 1677 N ARG A 169 2.418 -8.986 4.711 1.00 0.00 N ATOM 1678 CA ARG A 169 3.405 -10.003 4.369 1.00 0.00 C ATOM 1679 C ARG A 169 2.935 -11.386 4.810 1.00 0.00 C ATOM 1680 O ARG A 169 2.475 -11.567 5.937 1.00 0.00 O ATOM 1681 CB ARG A 169 4.752 -9.676 5.020 1.00 0.00 C ATOM 1682 CG ARG A 169 5.746 -9.032 4.067 1.00 0.00 C ATOM 1683 CD ARG A 169 6.220 -10.015 3.008 1.00 0.00 C ATOM 1684 NE ARG A 169 7.594 -9.748 2.590 1.00 0.00 N ATOM 1685 CZ ARG A 169 8.649 -9.867 3.392 1.00 0.00 C ATOM 1686 NH1 ARG A 169 8.493 -10.245 4.654 1.00 0.00 N1+ ATOM 1687 NH2 ARG A 169 9.864 -9.605 2.930 1.00 0.00 N ATOM 0 H ARG A 169 2.369 -8.762 5.705 1.00 0.00 H new ATOM 0 HA ARG A 169 3.525 -10.008 3.286 1.00 0.00 H new ATOM 0 HB2 ARG A 169 4.585 -9.008 5.865 1.00 0.00 H new ATOM 0 HB3 ARG A 169 5.186 -10.593 5.420 1.00 0.00 H new ATOM 0 HG2 ARG A 169 5.284 -8.171 3.585 1.00 0.00 H new ATOM 0 HG3 ARG A 169 6.603 -8.660 4.629 1.00 0.00 H new ATOM 0 HD2 ARG A 169 6.151 -11.030 3.399 1.00 0.00 H new ATOM 0 HD3 ARG A 169 5.560 -9.961 2.142 1.00 0.00 H new ATOM 0 HE ARG A 169 7.754 -9.453 1.627 1.00 0.00 H new ATOM 0 HH11 ARG A 169 7.560 -10.446 5.015 1.00 0.00 H new ATOM 0 HH12 ARG A 169 9.306 -10.334 5.264 1.00 0.00 H new ATOM 0 HH21 ARG A 169 9.989 -9.313 1.961 1.00 0.00 H new ATOM 0 HH22 ARG A 169 10.674 -9.696 3.544 1.00 0.00 H new ATOM 1701 N THR A 170 3.054 -12.360 3.914 1.00 0.00 N ATOM 1702 CA THR A 170 2.642 -13.727 4.215 1.00 0.00 C ATOM 1703 C THR A 170 3.399 -14.271 5.423 1.00 0.00 C ATOM 1704 O THR A 170 2.899 -15.131 6.148 1.00 0.00 O ATOM 1705 CB THR A 170 2.865 -14.634 3.009 1.00 0.00 C ATOM 1706 OG1 THR A 170 2.822 -15.998 3.387 1.00 0.00 O ATOM 1707 CG2 THR A 170 4.184 -14.385 2.333 1.00 0.00 C ATOM 0 H THR A 170 3.431 -12.229 2.975 1.00 0.00 H new ATOM 0 HA THR A 170 1.578 -13.711 4.451 1.00 0.00 H new ATOM 0 HB THR A 170 2.060 -14.401 2.312 1.00 0.00 H new ATOM 0 HG1 THR A 170 2.966 -16.561 2.598 1.00 0.00 H new ATOM 0 HG21 THR A 170 4.289 -15.058 1.482 1.00 0.00 H new ATOM 0 HG22 THR A 170 4.226 -13.352 1.986 1.00 0.00 H new ATOM 0 HG23 THR A 170 4.994 -14.564 3.040 1.00 0.00 H new ATOM 1715 N THR A 171 4.610 -13.762 5.632 1.00 0.00 N ATOM 1716 CA THR A 171 5.442 -14.191 6.749 1.00 0.00 C ATOM 1717 C THR A 171 6.488 -13.130 7.084 1.00 0.00 C ATOM 1718 O THR A 171 7.669 -13.287 6.769 1.00 0.00 O ATOM 1719 CB THR A 171 6.129 -15.514 6.417 1.00 0.00 C ATOM 1720 OG1 THR A 171 6.933 -15.949 7.499 1.00 0.00 O ATOM 1721 CG2 THR A 171 7.013 -15.428 5.193 1.00 0.00 C ATOM 0 H THR A 171 5.037 -13.050 5.040 1.00 0.00 H new ATOM 0 HA THR A 171 4.800 -14.331 7.619 1.00 0.00 H new ATOM 0 HB THR A 171 5.323 -16.221 6.220 1.00 0.00 H new ATOM 0 HG1 THR A 171 7.363 -16.799 7.266 1.00 0.00 H new ATOM 0 HG21 THR A 171 7.473 -16.398 5.008 1.00 0.00 H new ATOM 0 HG22 THR A 171 6.412 -15.141 4.330 1.00 0.00 H new ATOM 0 HG23 THR A 171 7.791 -14.683 5.358 1.00 0.00 H new ATOM 1729 N PRO A 172 6.067 -12.029 7.728 1.00 0.00 N ATOM 1730 CA PRO A 172 6.967 -10.937 8.105 1.00 0.00 C ATOM 1731 C PRO A 172 8.181 -11.434 8.881 1.00 0.00 C ATOM 1732 O PRO A 172 8.099 -12.412 9.623 1.00 0.00 O ATOM 1733 CB PRO A 172 6.099 -10.027 8.990 1.00 0.00 C ATOM 1734 CG PRO A 172 4.868 -10.817 9.293 1.00 0.00 C ATOM 1735 CD PRO A 172 4.686 -11.760 8.141 1.00 0.00 C ATOM 0 HA PRO A 172 7.372 -10.429 7.230 1.00 0.00 H new ATOM 0 HB2 PRO A 172 6.624 -9.753 9.905 1.00 0.00 H new ATOM 0 HB3 PRO A 172 5.852 -9.099 8.475 1.00 0.00 H new ATOM 0 HG2 PRO A 172 4.976 -11.363 10.230 1.00 0.00 H new ATOM 0 HG3 PRO A 172 4.002 -10.164 9.402 1.00 0.00 H new ATOM 0 HD2 PRO A 172 4.168 -12.671 8.441 1.00 0.00 H new ATOM 0 HD3 PRO A 172 4.103 -11.311 7.337 1.00 0.00 H new