USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 669 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 128 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 150 HIS :FLIP no HE2:sc= -2.34! F(o=-2.2,f=-1.6!) USER MOD Set 2.2: A 153 LYS NZ :NH3+ -123:sc= 0.666 (180deg=0) USER MOD Set 2.3: A 154 TYR OH : rot 114:sc= 0.055 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -0.69 K(o=-0.69,f=-3.7!) USER MOD Single : A 103 TYR OH : rot 36:sc= -1.99 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -5.49! C(o=-5.5!,f=-6.4!) 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 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 THR OG1 : rot 41:sc= 0.238 USER MOD Single : A 134 SER OG : rot -21:sc= 1.18 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 HIS : no HD1:sc= -0.28 X(o=-0.28,f=0.048) USER MOD Single : A 142 THR OG1 : rot -61:sc= 0.0742! USER MOD Single : A 147 THR OG1 : rot -61:sc= -0.172 USER MOD Single : A 148 THR OG1 : rot 54:sc= -1.64! USER MOD Single : A 155 SER OG : rot -155:sc= -3.83! USER MOD Single : A 161 ASN : amide:sc= -0.694 K(o=-0.69,f=-3.7!) USER MOD Single : A 164 HIS : no HD1:sc= -0.977 K(o=-0.98,f=-3.4!) USER MOD Single : A 170 THR OG1 : rot 180:sc= -1.65 USER MOD Single : A 171 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 257 N PRO A 87 -6.266 4.126 -16.535 1.00 0.00 N ATOM 258 CA PRO A 87 -5.276 3.080 -16.260 1.00 0.00 C ATOM 259 C PRO A 87 -3.844 3.555 -16.506 1.00 0.00 C ATOM 260 O PRO A 87 -3.558 4.184 -17.525 1.00 0.00 O ATOM 261 CB PRO A 87 -5.646 1.972 -17.247 1.00 0.00 C ATOM 262 CG PRO A 87 -6.328 2.676 -18.368 1.00 0.00 C ATOM 263 CD PRO A 87 -7.054 3.839 -17.748 1.00 0.00 C ATOM 0 HA PRO A 87 -5.297 2.765 -15.217 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -4.761 1.439 -17.594 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -6.302 1.234 -16.786 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -5.607 3.017 -19.110 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -7.023 2.011 -18.881 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -7.085 4.697 -18.419 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -8.086 3.586 -17.506 1.00 0.00 H new ATOM 271 N PRO A 88 -2.920 3.259 -15.573 1.00 0.00 N ATOM 272 CA PRO A 88 -1.519 3.656 -15.692 1.00 0.00 C ATOM 273 C PRO A 88 -0.699 2.649 -16.493 1.00 0.00 C ATOM 274 O PRO A 88 -1.254 1.804 -17.196 1.00 0.00 O ATOM 275 CB PRO A 88 -1.063 3.685 -14.236 1.00 0.00 C ATOM 276 CG PRO A 88 -1.856 2.606 -13.577 1.00 0.00 C ATOM 277 CD PRO A 88 -3.168 2.515 -14.321 1.00 0.00 C ATOM 0 HA PRO A 88 -1.392 4.601 -16.221 1.00 0.00 H new ATOM 0 HB2 PRO A 88 0.008 3.499 -14.151 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -1.256 4.655 -13.779 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -1.323 1.656 -13.615 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.023 2.836 -12.525 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -3.443 1.479 -14.520 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -3.983 2.957 -13.748 1.00 0.00 H new ATOM 285 N ASP A 89 0.623 2.737 -16.378 1.00 0.00 N ATOM 286 CA ASP A 89 1.512 1.837 -17.076 1.00 0.00 C ATOM 287 C ASP A 89 2.334 1.035 -16.081 1.00 0.00 C ATOM 288 O ASP A 89 2.689 1.530 -15.011 1.00 0.00 O ATOM 289 CB ASP A 89 2.434 2.615 -18.016 1.00 0.00 C ATOM 290 CG ASP A 89 1.669 3.543 -18.939 1.00 0.00 C ATOM 291 OD1 ASP A 89 0.587 3.143 -19.419 1.00 0.00 O ATOM 292 OD2 ASP A 89 2.151 4.670 -19.182 1.00 0.00 O1- ATOM 0 H ASP A 89 1.097 3.431 -15.801 1.00 0.00 H new ATOM 0 HA ASP A 89 0.911 1.150 -17.671 1.00 0.00 H new ATOM 0 HB2 ASP A 89 3.143 3.197 -17.426 1.00 0.00 H new ATOM 0 HB3 ASP A 89 3.016 1.913 -18.612 1.00 0.00 H new ATOM 297 N GLU A 90 2.634 -0.205 -16.437 1.00 0.00 N ATOM 298 CA GLU A 90 3.413 -1.077 -15.580 1.00 0.00 C ATOM 299 C GLU A 90 4.729 -0.420 -15.173 1.00 0.00 C ATOM 300 O GLU A 90 5.342 -0.803 -14.177 1.00 0.00 O ATOM 301 CB GLU A 90 3.692 -2.396 -16.290 1.00 0.00 C ATOM 302 CG GLU A 90 4.046 -2.242 -17.761 1.00 0.00 C ATOM 303 CD GLU A 90 5.123 -3.213 -18.205 1.00 0.00 C ATOM 304 OE1 GLU A 90 6.303 -2.990 -17.859 1.00 0.00 O1- ATOM 305 OE2 GLU A 90 4.788 -4.196 -18.898 1.00 0.00 O ATOM 0 H GLU A 90 2.347 -0.629 -17.319 1.00 0.00 H new ATOM 0 HA GLU A 90 2.833 -1.267 -14.677 1.00 0.00 H new ATOM 0 HB2 GLU A 90 4.510 -2.905 -15.781 1.00 0.00 H new ATOM 0 HB3 GLU A 90 2.815 -3.037 -16.203 1.00 0.00 H new ATOM 0 HG2 GLU A 90 3.151 -2.396 -18.364 1.00 0.00 H new ATOM 0 HG3 GLU A 90 4.383 -1.222 -17.945 1.00 0.00 H new ATOM 312 N GLU A 91 5.156 0.577 -15.945 1.00 0.00 N ATOM 313 CA GLU A 91 6.394 1.288 -15.651 1.00 0.00 C ATOM 314 C GLU A 91 6.354 1.849 -14.239 1.00 0.00 C ATOM 315 O GLU A 91 7.249 1.604 -13.427 1.00 0.00 O ATOM 316 CB GLU A 91 6.601 2.426 -16.651 1.00 0.00 C ATOM 317 CG GLU A 91 6.524 1.982 -18.103 1.00 0.00 C ATOM 318 CD GLU A 91 7.891 1.824 -18.738 1.00 0.00 C ATOM 319 OE1 GLU A 91 8.514 0.758 -18.549 1.00 0.00 O1- ATOM 320 OE2 GLU A 91 8.340 2.767 -19.423 1.00 0.00 O ATOM 0 H GLU A 91 4.664 0.908 -16.775 1.00 0.00 H new ATOM 0 HA GLU A 91 7.224 0.586 -15.733 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.849 3.195 -16.475 1.00 0.00 H new ATOM 0 HB3 GLU A 91 7.573 2.884 -16.471 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.989 1.034 -18.161 1.00 0.00 H new ATOM 0 HG3 GLU A 91 5.945 2.710 -18.671 1.00 0.00 H new ATOM 327 N LEU A 92 5.297 2.596 -13.952 1.00 0.00 N ATOM 328 CA LEU A 92 5.119 3.192 -12.640 1.00 0.00 C ATOM 329 C LEU A 92 4.659 2.147 -11.627 1.00 0.00 C ATOM 330 O LEU A 92 4.850 2.313 -10.423 1.00 0.00 O ATOM 331 CB LEU A 92 4.112 4.338 -12.716 1.00 0.00 C ATOM 332 CG LEU A 92 4.116 5.296 -11.521 1.00 0.00 C ATOM 333 CD1 LEU A 92 3.484 4.637 -10.305 1.00 0.00 C ATOM 334 CD2 LEU A 92 5.533 5.756 -11.206 1.00 0.00 C ATOM 0 H LEU A 92 4.549 2.803 -14.614 1.00 0.00 H new ATOM 0 HA LEU A 92 6.079 3.587 -12.308 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.309 4.912 -13.621 1.00 0.00 H new ATOM 0 HB3 LEU A 92 3.113 3.915 -12.818 1.00 0.00 H new ATOM 0 HG LEU A 92 3.523 6.172 -11.783 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.496 5.333 -9.466 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.454 4.363 -10.534 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.048 3.742 -10.042 1.00 0.00 H new ATOM 0 HD21 LEU A 92 5.514 6.436 -10.354 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.151 4.891 -10.966 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.949 6.271 -12.072 1.00 0.00 H new ATOM 346 N ILE A 93 4.061 1.061 -12.118 1.00 0.00 N ATOM 347 CA ILE A 93 3.590 -0.001 -11.243 1.00 0.00 C ATOM 348 C ILE A 93 4.765 -0.744 -10.620 1.00 0.00 C ATOM 349 O ILE A 93 4.695 -1.184 -9.473 1.00 0.00 O ATOM 350 CB ILE A 93 2.697 -0.999 -12.005 1.00 0.00 C ATOM 351 CG1 ILE A 93 1.488 -0.273 -12.595 1.00 0.00 C ATOM 352 CG2 ILE A 93 2.249 -2.128 -11.088 1.00 0.00 C ATOM 353 CD1 ILE A 93 0.648 -1.138 -13.506 1.00 0.00 C ATOM 0 H ILE A 93 3.894 0.898 -13.111 1.00 0.00 H new ATOM 0 HA ILE A 93 2.998 0.464 -10.454 1.00 0.00 H new ATOM 0 HB ILE A 93 3.276 -1.435 -12.819 1.00 0.00 H new ATOM 0 HG12 ILE A 93 0.864 0.096 -11.781 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.834 0.598 -13.152 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.620 -2.822 -11.646 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.123 -2.657 -10.708 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.683 -1.715 -10.253 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -0.191 -0.557 -13.887 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.257 -1.486 -14.340 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.272 -1.996 -12.948 1.00 0.00 H new ATOM 365 N LYS A 94 5.846 -0.874 -11.381 1.00 0.00 N ATOM 366 CA LYS A 94 7.038 -1.555 -10.897 1.00 0.00 C ATOM 367 C LYS A 94 7.785 -0.677 -9.901 1.00 0.00 C ATOM 368 O LYS A 94 8.400 -1.174 -8.958 1.00 0.00 O ATOM 369 CB LYS A 94 7.954 -1.927 -12.064 1.00 0.00 C ATOM 370 CG LYS A 94 7.428 -3.074 -12.910 1.00 0.00 C ATOM 371 CD LYS A 94 8.563 -3.908 -13.485 1.00 0.00 C ATOM 372 CE LYS A 94 8.045 -5.183 -14.131 1.00 0.00 C ATOM 373 NZ LYS A 94 8.158 -6.354 -13.218 1.00 0.00 N1+ ATOM 0 H LYS A 94 5.920 -0.517 -12.334 1.00 0.00 H new ATOM 0 HA LYS A 94 6.729 -2.470 -10.392 1.00 0.00 H new ATOM 0 HB2 LYS A 94 8.092 -1.052 -12.699 1.00 0.00 H new ATOM 0 HB3 LYS A 94 8.935 -2.196 -11.673 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.780 -3.707 -12.304 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.818 -2.679 -13.722 1.00 0.00 H new ATOM 0 HD2 LYS A 94 9.110 -3.321 -14.223 1.00 0.00 H new ATOM 0 HD3 LYS A 94 9.268 -4.161 -12.693 1.00 0.00 H new ATOM 0 HE2 LYS A 94 7.003 -5.046 -14.419 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.605 -5.380 -15.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 7.794 -7.203 -13.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 9.156 -6.501 -12.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 7.603 -6.177 -12.356 1.00 0.00 H new ATOM 387 N LYS A 95 7.716 0.635 -10.109 1.00 0.00 N ATOM 388 CA LYS A 95 8.377 1.579 -9.216 1.00 0.00 C ATOM 389 C LYS A 95 7.734 1.535 -7.832 1.00 0.00 C ATOM 390 O LYS A 95 8.409 1.307 -6.828 1.00 0.00 O ATOM 391 CB LYS A 95 8.298 2.997 -9.786 1.00 0.00 C ATOM 392 CG LYS A 95 8.981 3.148 -11.136 1.00 0.00 C ATOM 393 CD LYS A 95 10.487 3.283 -10.986 1.00 0.00 C ATOM 394 CE LYS A 95 11.070 4.216 -12.035 1.00 0.00 C ATOM 395 NZ LYS A 95 12.397 4.753 -11.626 1.00 0.00 N1+ ATOM 0 H LYS A 95 7.212 1.066 -10.884 1.00 0.00 H new ATOM 0 HA LYS A 95 9.426 1.296 -9.127 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.251 3.283 -9.884 1.00 0.00 H new ATOM 0 HB3 LYS A 95 8.753 3.690 -9.078 1.00 0.00 H new ATOM 0 HG2 LYS A 95 8.752 2.284 -11.759 1.00 0.00 H new ATOM 0 HG3 LYS A 95 8.585 4.025 -11.649 1.00 0.00 H new ATOM 0 HD2 LYS A 95 10.722 3.660 -9.991 1.00 0.00 H new ATOM 0 HD3 LYS A 95 10.952 2.301 -11.072 1.00 0.00 H new ATOM 0 HE2 LYS A 95 11.170 3.682 -12.980 1.00 0.00 H new ATOM 0 HE3 LYS A 95 10.381 5.043 -12.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 12.760 5.384 -12.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 12.298 5.284 -10.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 13.062 3.966 -11.486 1.00 0.00 H new ATOM 409 N LEU A 96 6.421 1.749 -7.792 1.00 0.00 N ATOM 410 CA LEU A 96 5.677 1.727 -6.539 1.00 0.00 C ATOM 411 C LEU A 96 5.880 0.404 -5.808 1.00 0.00 C ATOM 412 O LEU A 96 6.308 0.376 -4.655 1.00 0.00 O ATOM 413 CB LEU A 96 4.187 1.951 -6.811 1.00 0.00 C ATOM 414 CG LEU A 96 3.645 3.293 -6.339 1.00 0.00 C ATOM 415 CD1 LEU A 96 2.633 3.847 -7.330 1.00 0.00 C ATOM 416 CD2 LEU A 96 3.026 3.156 -4.957 1.00 0.00 C ATOM 0 H LEU A 96 5.851 1.940 -8.616 1.00 0.00 H new ATOM 0 HA LEU A 96 6.052 2.530 -5.904 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.010 1.861 -7.883 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.620 1.156 -6.327 1.00 0.00 H new ATOM 0 HG LEU A 96 4.475 3.997 -6.278 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.260 4.806 -6.971 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.111 3.983 -8.300 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.802 3.149 -7.430 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.643 4.123 -4.632 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.209 2.436 -4.994 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.782 2.810 -4.252 1.00 0.00 H new ATOM 428 N VAL A 97 5.568 -0.695 -6.488 1.00 0.00 N ATOM 429 CA VAL A 97 5.718 -2.022 -5.904 1.00 0.00 C ATOM 430 C VAL A 97 7.131 -2.226 -5.368 1.00 0.00 C ATOM 431 O VAL A 97 7.332 -2.894 -4.353 1.00 0.00 O ATOM 432 CB VAL A 97 5.402 -3.126 -6.931 1.00 0.00 C ATOM 433 CG1 VAL A 97 6.402 -3.098 -8.074 1.00 0.00 C ATOM 434 CG2 VAL A 97 5.390 -4.490 -6.262 1.00 0.00 C ATOM 0 H VAL A 97 5.210 -0.692 -7.443 1.00 0.00 H new ATOM 0 HA VAL A 97 5.007 -2.091 -5.081 1.00 0.00 H new ATOM 0 HB VAL A 97 4.410 -2.937 -7.342 1.00 0.00 H new ATOM 0 HG11 VAL A 97 6.161 -3.886 -8.788 1.00 0.00 H new ATOM 0 HG12 VAL A 97 6.357 -2.130 -8.573 1.00 0.00 H new ATOM 0 HG13 VAL A 97 7.407 -3.258 -7.683 1.00 0.00 H new ATOM 0 HG21 VAL A 97 5.165 -5.257 -7.003 1.00 0.00 H new ATOM 0 HG22 VAL A 97 6.367 -4.687 -5.821 1.00 0.00 H new ATOM 0 HG23 VAL A 97 4.629 -4.506 -5.481 1.00 0.00 H new ATOM 444 N ASP A 98 8.105 -1.642 -6.058 1.00 0.00 N ATOM 445 CA ASP A 98 9.500 -1.752 -5.653 1.00 0.00 C ATOM 446 C ASP A 98 9.703 -1.174 -4.257 1.00 0.00 C ATOM 447 O ASP A 98 10.593 -1.603 -3.521 1.00 0.00 O ATOM 448 CB ASP A 98 10.403 -1.031 -6.658 1.00 0.00 C ATOM 449 CG ASP A 98 11.166 -1.995 -7.544 1.00 0.00 C ATOM 450 OD1 ASP A 98 12.231 -2.482 -7.112 1.00 0.00 O ATOM 451 OD2 ASP A 98 10.698 -2.264 -8.670 1.00 0.00 O1- ATOM 0 H ASP A 98 7.953 -1.088 -6.901 1.00 0.00 H new ATOM 0 HA ASP A 98 9.768 -2.808 -5.632 1.00 0.00 H new ATOM 0 HB2 ASP A 98 9.797 -0.372 -7.280 1.00 0.00 H new ATOM 0 HB3 ASP A 98 11.110 -0.400 -6.120 1.00 0.00 H new ATOM 456 N GLN A 99 8.872 -0.200 -3.896 1.00 0.00 N ATOM 457 CA GLN A 99 8.965 0.428 -2.585 1.00 0.00 C ATOM 458 C GLN A 99 8.440 -0.507 -1.503 1.00 0.00 C ATOM 459 O GLN A 99 8.940 -0.510 -0.378 1.00 0.00 O ATOM 460 CB GLN A 99 8.185 1.745 -2.565 1.00 0.00 C ATOM 461 CG GLN A 99 9.051 2.969 -2.820 1.00 0.00 C ATOM 462 CD GLN A 99 9.565 3.597 -1.541 1.00 0.00 C ATOM 463 OE1 GLN A 99 9.524 2.984 -0.474 1.00 0.00 O ATOM 464 NE2 GLN A 99 10.051 4.829 -1.640 1.00 0.00 N ATOM 0 H GLN A 99 8.130 0.169 -4.491 1.00 0.00 H new ATOM 0 HA GLN A 99 10.015 0.639 -2.383 1.00 0.00 H new ATOM 0 HB2 GLN A 99 7.398 1.703 -3.318 1.00 0.00 H new ATOM 0 HB3 GLN A 99 7.694 1.852 -1.598 1.00 0.00 H new ATOM 0 HG2 GLN A 99 9.897 2.687 -3.447 1.00 0.00 H new ATOM 0 HG3 GLN A 99 8.474 3.708 -3.377 1.00 0.00 H new ATOM 0 HE21 GLN A 99 10.066 5.300 -2.545 1.00 0.00 H new ATOM 0 HE22 GLN A 99 10.409 5.304 -0.812 1.00 0.00 H new ATOM 473 N ILE A 100 7.432 -1.303 -1.848 1.00 0.00 N ATOM 474 CA ILE A 100 6.849 -2.239 -0.902 1.00 0.00 C ATOM 475 C ILE A 100 7.835 -3.326 -0.539 1.00 0.00 C ATOM 476 O ILE A 100 8.261 -3.444 0.608 1.00 0.00 O ATOM 477 CB ILE A 100 5.580 -2.904 -1.460 1.00 0.00 C ATOM 478 CG1 ILE A 100 4.735 -1.902 -2.243 1.00 0.00 C ATOM 479 CG2 ILE A 100 4.772 -3.498 -0.325 1.00 0.00 C ATOM 480 CD1 ILE A 100 4.506 -0.615 -1.491 1.00 0.00 C ATOM 0 H ILE A 100 7.005 -1.316 -2.774 1.00 0.00 H new ATOM 0 HA ILE A 100 6.588 -1.659 -0.017 1.00 0.00 H new ATOM 0 HB ILE A 100 5.878 -3.699 -2.144 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.227 -1.681 -3.190 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.772 -2.354 -2.482 1.00 0.00 H new ATOM 0 HG21 ILE A 100 3.874 -3.968 -0.725 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.371 -4.245 0.196 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.489 -2.709 0.372 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.899 0.058 -2.097 1.00 0.00 H new ATOM 0 HD12 ILE A 100 3.988 -0.827 -0.556 1.00 0.00 H new ATOM 0 HD13 ILE A 100 5.465 -0.144 -1.276 1.00 0.00 H new ATOM 492 N GLU A 101 8.214 -4.108 -1.530 1.00 0.00 N ATOM 493 CA GLU A 101 9.178 -5.181 -1.315 1.00 0.00 C ATOM 494 C GLU A 101 10.400 -4.641 -0.575 1.00 0.00 C ATOM 495 O GLU A 101 11.114 -5.380 0.101 1.00 0.00 O ATOM 496 CB GLU A 101 9.618 -5.786 -2.652 1.00 0.00 C ATOM 497 CG GLU A 101 8.469 -6.281 -3.515 1.00 0.00 C ATOM 498 CD GLU A 101 8.898 -6.588 -4.936 1.00 0.00 C ATOM 499 OE1 GLU A 101 9.918 -7.289 -5.109 1.00 0.00 O1- ATOM 500 OE2 GLU A 101 8.217 -6.126 -5.875 1.00 0.00 O ATOM 0 H GLU A 101 7.875 -4.026 -2.488 1.00 0.00 H new ATOM 0 HA GLU A 101 8.701 -5.957 -0.716 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.181 -5.038 -3.210 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.297 -6.616 -2.457 1.00 0.00 H new ATOM 0 HG2 GLU A 101 8.043 -7.178 -3.066 1.00 0.00 H new ATOM 0 HG3 GLU A 101 7.681 -5.528 -3.532 1.00 0.00 H new ATOM 507 N PHE A 102 10.629 -3.340 -0.728 1.00 0.00 N ATOM 508 CA PHE A 102 11.761 -2.669 -0.100 1.00 0.00 C ATOM 509 C PHE A 102 11.451 -2.187 1.315 1.00 0.00 C ATOM 510 O PHE A 102 12.320 -2.201 2.186 1.00 0.00 O ATOM 511 CB PHE A 102 12.189 -1.481 -0.959 1.00 0.00 C ATOM 512 CG PHE A 102 13.442 -0.806 -0.481 1.00 0.00 C ATOM 513 CD1 PHE A 102 14.688 -1.293 -0.840 1.00 0.00 C ATOM 514 CD2 PHE A 102 13.372 0.319 0.324 1.00 0.00 C ATOM 515 CE1 PHE A 102 15.842 -0.672 -0.404 1.00 0.00 C ATOM 516 CE2 PHE A 102 14.523 0.946 0.763 1.00 0.00 C ATOM 517 CZ PHE A 102 15.760 0.450 0.399 1.00 0.00 C ATOM 0 H PHE A 102 10.038 -2.725 -1.288 1.00 0.00 H new ATOM 0 HA PHE A 102 12.567 -3.399 -0.024 1.00 0.00 H new ATOM 0 HB2 PHE A 102 12.339 -1.821 -1.984 1.00 0.00 H new ATOM 0 HB3 PHE A 102 11.380 -0.751 -0.981 1.00 0.00 H new ATOM 0 HD1 PHE A 102 14.758 -2.169 -1.468 1.00 0.00 H new ATOM 0 HD2 PHE A 102 12.408 0.711 0.612 1.00 0.00 H new ATOM 0 HE1 PHE A 102 16.807 -1.063 -0.690 1.00 0.00 H new ATOM 0 HE2 PHE A 102 14.455 1.823 1.390 1.00 0.00 H new ATOM 0 HZ PHE A 102 16.661 0.938 0.741 1.00 0.00 H new ATOM 527 N TYR A 103 10.229 -1.712 1.524 1.00 0.00 N ATOM 528 CA TYR A 103 9.839 -1.169 2.821 1.00 0.00 C ATOM 529 C TYR A 103 9.439 -2.241 3.825 1.00 0.00 C ATOM 530 O TYR A 103 9.385 -1.985 5.027 1.00 0.00 O ATOM 531 CB TYR A 103 8.758 -0.094 2.643 1.00 0.00 C ATOM 532 CG TYR A 103 7.315 -0.550 2.441 1.00 0.00 C ATOM 533 CD1 TYR A 103 6.941 -1.889 2.356 1.00 0.00 C ATOM 534 CD2 TYR A 103 6.311 0.406 2.330 1.00 0.00 C ATOM 535 CE1 TYR A 103 5.628 -2.253 2.171 1.00 0.00 C ATOM 536 CE2 TYR A 103 4.992 0.047 2.144 1.00 0.00 C ATOM 537 CZ TYR A 103 4.654 -1.285 2.067 1.00 0.00 C ATOM 538 OH TYR A 103 3.339 -1.653 1.882 1.00 0.00 O ATOM 0 H TYR A 103 9.494 -1.691 0.817 1.00 0.00 H new ATOM 0 HA TYR A 103 10.720 -0.696 3.255 1.00 0.00 H new ATOM 0 HB2 TYR A 103 8.783 0.552 3.520 1.00 0.00 H new ATOM 0 HB3 TYR A 103 9.036 0.520 1.786 1.00 0.00 H new ATOM 0 HD1 TYR A 103 7.697 -2.656 2.437 1.00 0.00 H new ATOM 0 HD2 TYR A 103 6.570 1.453 2.391 1.00 0.00 H new ATOM 0 HE1 TYR A 103 5.361 -3.297 2.107 1.00 0.00 H new ATOM 0 HE2 TYR A 103 4.229 0.807 2.059 1.00 0.00 H new ATOM 0 HH TYR A 103 3.156 -2.475 2.383 1.00 0.00 H new ATOM 548 N PHE A 104 9.177 -3.441 3.336 1.00 0.00 N ATOM 549 CA PHE A 104 8.805 -4.543 4.210 1.00 0.00 C ATOM 550 C PHE A 104 10.006 -5.437 4.508 1.00 0.00 C ATOM 551 O PHE A 104 9.900 -6.396 5.273 1.00 0.00 O ATOM 552 CB PHE A 104 7.655 -5.357 3.601 1.00 0.00 C ATOM 553 CG PHE A 104 8.101 -6.563 2.818 1.00 0.00 C ATOM 554 CD1 PHE A 104 9.005 -6.434 1.778 1.00 0.00 C ATOM 555 CD2 PHE A 104 7.616 -7.824 3.128 1.00 0.00 C ATOM 556 CE1 PHE A 104 9.418 -7.539 1.058 1.00 0.00 C ATOM 557 CE2 PHE A 104 8.025 -8.933 2.412 1.00 0.00 C ATOM 558 CZ PHE A 104 8.926 -8.791 1.375 1.00 0.00 C ATOM 0 H PHE A 104 9.214 -3.678 2.344 1.00 0.00 H new ATOM 0 HA PHE A 104 8.460 -4.121 5.154 1.00 0.00 H new ATOM 0 HB2 PHE A 104 6.991 -5.683 4.402 1.00 0.00 H new ATOM 0 HB3 PHE A 104 7.072 -4.708 2.947 1.00 0.00 H new ATOM 0 HD1 PHE A 104 9.392 -5.458 1.526 1.00 0.00 H new ATOM 0 HD2 PHE A 104 6.911 -7.941 3.938 1.00 0.00 H new ATOM 0 HE1 PHE A 104 10.124 -7.424 0.249 1.00 0.00 H new ATOM 0 HE2 PHE A 104 7.640 -9.910 2.663 1.00 0.00 H new ATOM 0 HZ PHE A 104 9.245 -9.656 0.813 1.00 0.00 H new ATOM 568 N SER A 105 11.152 -5.116 3.914 1.00 0.00 N ATOM 569 CA SER A 105 12.362 -5.897 4.145 1.00 0.00 C ATOM 570 C SER A 105 12.703 -5.909 5.634 1.00 0.00 C ATOM 571 O SER A 105 12.550 -4.898 6.317 1.00 0.00 O ATOM 572 CB SER A 105 13.531 -5.320 3.344 1.00 0.00 C ATOM 573 OG SER A 105 14.516 -6.308 3.094 1.00 0.00 O ATOM 0 H SER A 105 11.268 -4.329 3.276 1.00 0.00 H new ATOM 0 HA SER A 105 12.184 -6.920 3.814 1.00 0.00 H new ATOM 0 HB2 SER A 105 13.165 -4.919 2.399 1.00 0.00 H new ATOM 0 HB3 SER A 105 13.976 -4.489 3.891 1.00 0.00 H new ATOM 0 HG SER A 105 15.251 -5.914 2.579 1.00 0.00 H new ATOM 579 N ASP A 106 13.156 -7.056 6.136 1.00 0.00 N ATOM 580 CA ASP A 106 13.508 -7.192 7.552 1.00 0.00 C ATOM 581 C ASP A 106 14.306 -5.979 8.047 1.00 0.00 C ATOM 582 O ASP A 106 13.999 -5.391 9.089 1.00 0.00 O ATOM 583 CB ASP A 106 14.315 -8.480 7.775 1.00 0.00 C ATOM 584 CG ASP A 106 15.757 -8.373 7.310 1.00 0.00 C ATOM 585 OD1 ASP A 106 15.982 -8.334 6.081 1.00 0.00 O1- ATOM 586 OD2 ASP A 106 16.658 -8.328 8.173 1.00 0.00 O ATOM 0 H ASP A 106 13.289 -7.905 5.586 1.00 0.00 H new ATOM 0 HA ASP A 106 12.582 -7.244 8.125 1.00 0.00 H new ATOM 0 HB2 ASP A 106 14.300 -8.731 8.836 1.00 0.00 H new ATOM 0 HB3 ASP A 106 13.830 -9.301 7.246 1.00 0.00 H new ATOM 591 N GLU A 107 15.333 -5.617 7.282 1.00 0.00 N ATOM 592 CA GLU A 107 16.195 -4.489 7.615 1.00 0.00 C ATOM 593 C GLU A 107 15.489 -3.159 7.405 1.00 0.00 C ATOM 594 O GLU A 107 15.907 -2.131 7.939 1.00 0.00 O ATOM 595 CB GLU A 107 17.445 -4.531 6.749 1.00 0.00 C ATOM 596 CG GLU A 107 18.297 -5.765 6.979 1.00 0.00 C ATOM 597 CD GLU A 107 19.028 -5.731 8.307 1.00 0.00 C ATOM 598 OE1 GLU A 107 19.507 -4.644 8.694 1.00 0.00 O ATOM 599 OE2 GLU A 107 19.120 -6.791 8.961 1.00 0.00 O1- ATOM 0 H GLU A 107 15.589 -6.095 6.418 1.00 0.00 H new ATOM 0 HA GLU A 107 16.458 -4.572 8.669 1.00 0.00 H new ATOM 0 HB2 GLU A 107 17.152 -4.491 5.700 1.00 0.00 H new ATOM 0 HB3 GLU A 107 18.045 -3.643 6.947 1.00 0.00 H new ATOM 0 HG2 GLU A 107 17.664 -6.651 6.940 1.00 0.00 H new ATOM 0 HG3 GLU A 107 19.023 -5.856 6.171 1.00 0.00 H new ATOM 606 N ASN A 108 14.423 -3.183 6.626 1.00 0.00 N ATOM 607 CA ASN A 108 13.661 -1.975 6.345 1.00 0.00 C ATOM 608 C ASN A 108 12.564 -1.786 7.378 1.00 0.00 C ATOM 609 O ASN A 108 12.025 -0.693 7.531 1.00 0.00 O ATOM 610 CB ASN A 108 13.061 -2.023 4.942 1.00 0.00 C ATOM 611 CG ASN A 108 12.843 -0.637 4.373 1.00 0.00 C ATOM 612 OD1 ASN A 108 11.992 0.115 4.849 1.00 0.00 O ATOM 613 ND2 ASN A 108 13.614 -0.286 3.352 1.00 0.00 N ATOM 0 H ASN A 108 14.063 -4.025 6.176 1.00 0.00 H new ATOM 0 HA ASN A 108 14.343 -1.126 6.398 1.00 0.00 H new ATOM 0 HB2 ASN A 108 13.723 -2.586 4.283 1.00 0.00 H new ATOM 0 HB3 ASN A 108 12.111 -2.557 4.972 1.00 0.00 H new ATOM 0 HD21 ASN A 108 13.514 0.638 2.931 1.00 0.00 H new ATOM 0 HD22 ASN A 108 14.307 -0.940 2.988 1.00 0.00 H new ATOM 620 N LEU A 109 12.251 -2.855 8.096 1.00 0.00 N ATOM 621 CA LEU A 109 11.244 -2.816 9.125 1.00 0.00 C ATOM 622 C LEU A 109 11.764 -2.040 10.310 1.00 0.00 C ATOM 623 O LEU A 109 11.138 -1.088 10.776 1.00 0.00 O ATOM 624 CB LEU A 109 10.897 -4.229 9.535 1.00 0.00 C ATOM 625 CG LEU A 109 9.769 -4.857 8.737 1.00 0.00 C ATOM 626 CD1 LEU A 109 8.465 -4.692 9.489 1.00 0.00 C ATOM 627 CD2 LEU A 109 9.654 -4.244 7.348 1.00 0.00 C ATOM 0 H LEU A 109 12.691 -3.767 7.976 1.00 0.00 H new ATOM 0 HA LEU A 109 10.348 -2.323 8.748 1.00 0.00 H new ATOM 0 HB2 LEU A 109 11.786 -4.852 9.435 1.00 0.00 H new ATOM 0 HB3 LEU A 109 10.623 -4.231 10.590 1.00 0.00 H new ATOM 0 HG LEU A 109 9.991 -5.917 8.611 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.655 -5.143 8.916 1.00 0.00 H new ATOM 0 HD12 LEU A 109 8.540 -5.183 10.459 1.00 0.00 H new ATOM 0 HD13 LEU A 109 8.260 -3.631 9.634 1.00 0.00 H new ATOM 0 HD21 LEU A 109 8.836 -4.719 6.807 1.00 0.00 H new ATOM 0 HD22 LEU A 109 9.458 -3.175 7.437 1.00 0.00 H new ATOM 0 HD23 LEU A 109 10.586 -4.398 6.804 1.00 0.00 H new ATOM 639 N GLU A 110 12.938 -2.443 10.781 1.00 0.00 N ATOM 640 CA GLU A 110 13.571 -1.773 11.897 1.00 0.00 C ATOM 641 C GLU A 110 13.702 -0.275 11.622 1.00 0.00 C ATOM 642 O GLU A 110 13.967 0.513 12.529 1.00 0.00 O ATOM 643 CB GLU A 110 14.956 -2.356 12.214 1.00 0.00 C ATOM 644 CG GLU A 110 15.329 -3.594 11.425 1.00 0.00 C ATOM 645 CD GLU A 110 16.792 -3.966 11.581 1.00 0.00 C ATOM 646 OE1 GLU A 110 17.598 -3.074 11.918 1.00 0.00 O1- ATOM 647 OE2 GLU A 110 17.129 -5.149 11.364 1.00 0.00 O ATOM 0 H GLU A 110 13.466 -3.230 10.404 1.00 0.00 H new ATOM 0 HA GLU A 110 12.930 -1.933 12.764 1.00 0.00 H new ATOM 0 HB2 GLU A 110 15.707 -1.588 12.031 1.00 0.00 H new ATOM 0 HB3 GLU A 110 14.998 -2.595 13.277 1.00 0.00 H new ATOM 0 HG2 GLU A 110 14.709 -4.429 11.751 1.00 0.00 H new ATOM 0 HG3 GLU A 110 15.111 -3.428 10.370 1.00 0.00 H new ATOM 654 N LYS A 111 13.535 0.105 10.356 1.00 0.00 N ATOM 655 CA LYS A 111 13.650 1.493 9.949 1.00 0.00 C ATOM 656 C LYS A 111 12.322 2.042 9.431 1.00 0.00 C ATOM 657 O LYS A 111 12.134 3.256 9.355 1.00 0.00 O ATOM 658 CB LYS A 111 14.714 1.608 8.862 1.00 0.00 C ATOM 659 CG LYS A 111 16.109 1.863 9.403 1.00 0.00 C ATOM 660 CD LYS A 111 16.196 3.203 10.115 1.00 0.00 C ATOM 661 CE LYS A 111 16.125 3.040 11.624 1.00 0.00 C ATOM 662 NZ LYS A 111 15.334 4.125 12.265 1.00 0.00 N1+ ATOM 0 H LYS A 111 13.318 -0.538 9.595 1.00 0.00 H new ATOM 0 HA LYS A 111 13.934 2.083 10.821 1.00 0.00 H new ATOM 0 HB2 LYS A 111 14.723 0.689 8.275 1.00 0.00 H new ATOM 0 HB3 LYS A 111 14.443 2.417 8.184 1.00 0.00 H new ATOM 0 HG2 LYS A 111 16.384 1.065 10.093 1.00 0.00 H new ATOM 0 HG3 LYS A 111 16.828 1.838 8.584 1.00 0.00 H new ATOM 0 HD2 LYS A 111 17.128 3.699 9.845 1.00 0.00 H new ATOM 0 HD3 LYS A 111 15.384 3.847 9.779 1.00 0.00 H new ATOM 0 HE2 LYS A 111 15.678 2.075 11.864 1.00 0.00 H new ATOM 0 HE3 LYS A 111 17.134 3.035 12.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 15.311 3.976 13.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 15.774 5.044 12.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 14.363 4.114 11.891 1.00 0.00 H new ATOM 676 N ASP A 112 11.407 1.148 9.063 1.00 0.00 N ATOM 677 CA ASP A 112 10.111 1.564 8.542 1.00 0.00 C ATOM 678 C ASP A 112 8.989 1.174 9.485 1.00 0.00 C ATOM 679 O ASP A 112 8.172 0.302 9.185 1.00 0.00 O ATOM 680 CB ASP A 112 9.876 0.960 7.165 1.00 0.00 C ATOM 681 CG ASP A 112 8.551 1.384 6.559 1.00 0.00 C ATOM 682 OD1 ASP A 112 8.051 2.467 6.926 1.00 0.00 O1- ATOM 683 OD2 ASP A 112 8.015 0.630 5.720 1.00 0.00 O ATOM 0 H ASP A 112 11.539 0.138 9.116 1.00 0.00 H new ATOM 0 HA ASP A 112 10.117 2.651 8.456 1.00 0.00 H new ATOM 0 HB2 ASP A 112 10.687 1.256 6.499 1.00 0.00 H new ATOM 0 HB3 ASP A 112 9.906 -0.127 7.239 1.00 0.00 H new ATOM 688 N ALA A 113 8.955 1.843 10.620 1.00 0.00 N ATOM 689 CA ALA A 113 7.929 1.596 11.622 1.00 0.00 C ATOM 690 C ALA A 113 6.579 2.130 11.150 1.00 0.00 C ATOM 691 O ALA A 113 5.532 1.734 11.656 1.00 0.00 O ATOM 692 CB ALA A 113 8.323 2.230 12.948 1.00 0.00 C ATOM 0 H ALA A 113 9.628 2.566 10.875 1.00 0.00 H new ATOM 0 HA ALA A 113 7.837 0.520 11.767 1.00 0.00 H new ATOM 0 HB1 ALA A 113 7.547 2.037 13.688 1.00 0.00 H new ATOM 0 HB2 ALA A 113 9.265 1.802 13.290 1.00 0.00 H new ATOM 0 HB3 ALA A 113 8.440 3.306 12.816 1.00 0.00 H new ATOM 698 N PHE A 114 6.616 3.028 10.170 1.00 0.00 N ATOM 699 CA PHE A 114 5.402 3.616 9.618 1.00 0.00 C ATOM 700 C PHE A 114 4.461 2.535 9.090 1.00 0.00 C ATOM 701 O PHE A 114 3.250 2.595 9.302 1.00 0.00 O ATOM 702 CB PHE A 114 5.764 4.597 8.499 1.00 0.00 C ATOM 703 CG PHE A 114 4.578 5.159 7.769 1.00 0.00 C ATOM 704 CD1 PHE A 114 3.827 6.185 8.322 1.00 0.00 C ATOM 705 CD2 PHE A 114 4.217 4.664 6.527 1.00 0.00 C ATOM 706 CE1 PHE A 114 2.739 6.705 7.649 1.00 0.00 C ATOM 707 CE2 PHE A 114 3.130 5.179 5.850 1.00 0.00 C ATOM 708 CZ PHE A 114 2.389 6.201 6.411 1.00 0.00 C ATOM 0 H PHE A 114 7.478 3.365 9.741 1.00 0.00 H new ATOM 0 HA PHE A 114 4.885 4.153 10.414 1.00 0.00 H new ATOM 0 HB2 PHE A 114 6.339 5.420 8.924 1.00 0.00 H new ATOM 0 HB3 PHE A 114 6.412 4.092 7.783 1.00 0.00 H new ATOM 0 HD1 PHE A 114 4.096 6.582 9.290 1.00 0.00 H new ATOM 0 HD2 PHE A 114 4.793 3.866 6.083 1.00 0.00 H new ATOM 0 HE1 PHE A 114 2.162 7.505 8.090 1.00 0.00 H new ATOM 0 HE2 PHE A 114 2.859 4.783 4.882 1.00 0.00 H new ATOM 0 HZ PHE A 114 1.538 6.605 5.883 1.00 0.00 H new ATOM 718 N LEU A 115 5.026 1.547 8.401 1.00 0.00 N ATOM 719 CA LEU A 115 4.236 0.453 7.844 1.00 0.00 C ATOM 720 C LEU A 115 3.977 -0.628 8.891 1.00 0.00 C ATOM 721 O LEU A 115 2.964 -1.325 8.838 1.00 0.00 O ATOM 722 CB LEU A 115 4.952 -0.156 6.632 1.00 0.00 C ATOM 723 CG LEU A 115 4.054 -0.939 5.670 1.00 0.00 C ATOM 724 CD1 LEU A 115 3.412 -0.003 4.655 1.00 0.00 C ATOM 725 CD2 LEU A 115 4.851 -2.032 4.964 1.00 0.00 C ATOM 0 H LEU A 115 6.027 1.482 8.215 1.00 0.00 H new ATOM 0 HA LEU A 115 3.276 0.860 7.527 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.439 0.646 6.077 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.739 -0.820 6.991 1.00 0.00 H new ATOM 0 HG LEU A 115 3.261 -1.412 6.249 1.00 0.00 H new ATOM 0 HD11 LEU A 115 2.778 -0.578 3.980 1.00 0.00 H new ATOM 0 HD12 LEU A 115 2.808 0.740 5.176 1.00 0.00 H new ATOM 0 HD13 LEU A 115 4.190 0.500 4.081 1.00 0.00 H new ATOM 0 HD21 LEU A 115 4.197 -2.578 4.284 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.666 -1.580 4.398 1.00 0.00 H new ATOM 0 HD23 LEU A 115 5.260 -2.719 5.704 1.00 0.00 H new ATOM 737 N LEU A 116 4.903 -0.770 9.836 1.00 0.00 N ATOM 738 CA LEU A 116 4.777 -1.777 10.887 1.00 0.00 C ATOM 739 C LEU A 116 3.908 -1.284 12.043 1.00 0.00 C ATOM 740 O LEU A 116 2.842 -1.841 12.311 1.00 0.00 O ATOM 741 CB LEU A 116 6.160 -2.169 11.410 1.00 0.00 C ATOM 742 CG LEU A 116 6.255 -3.579 11.994 1.00 0.00 C ATOM 743 CD1 LEU A 116 5.458 -3.678 13.286 1.00 0.00 C ATOM 744 CD2 LEU A 116 5.767 -4.608 10.985 1.00 0.00 C ATOM 0 H LEU A 116 5.748 -0.202 9.896 1.00 0.00 H new ATOM 0 HA LEU A 116 4.291 -2.649 10.450 1.00 0.00 H new ATOM 0 HB2 LEU A 116 6.878 -2.081 10.595 1.00 0.00 H new ATOM 0 HB3 LEU A 116 6.458 -1.454 12.177 1.00 0.00 H new ATOM 0 HG LEU A 116 7.301 -3.787 12.220 1.00 0.00 H new ATOM 0 HD11 LEU A 116 5.538 -4.689 13.686 1.00 0.00 H new ATOM 0 HD12 LEU A 116 5.853 -2.968 14.012 1.00 0.00 H new ATOM 0 HD13 LEU A 116 4.411 -3.449 13.086 1.00 0.00 H new ATOM 0 HD21 LEU A 116 5.842 -5.606 11.418 1.00 0.00 H new ATOM 0 HD22 LEU A 116 4.728 -4.401 10.728 1.00 0.00 H new ATOM 0 HD23 LEU A 116 6.381 -4.556 10.086 1.00 0.00 H new ATOM 922 N TYR A 126 -2.636 -6.316 8.870 1.00 0.00 N ATOM 923 CA TYR A 126 -2.757 -5.868 7.488 1.00 0.00 C ATOM 924 C TYR A 126 -2.450 -4.380 7.356 1.00 0.00 C ATOM 925 O TYR A 126 -2.865 -3.573 8.189 1.00 0.00 O ATOM 926 CB TYR A 126 -4.161 -6.158 6.957 1.00 0.00 C ATOM 927 CG TYR A 126 -4.386 -7.609 6.592 1.00 0.00 C ATOM 928 CD1 TYR A 126 -4.086 -8.626 7.489 1.00 0.00 C ATOM 929 CD2 TYR A 126 -4.900 -7.960 5.349 1.00 0.00 C ATOM 930 CE1 TYR A 126 -4.289 -9.952 7.158 1.00 0.00 C ATOM 931 CE2 TYR A 126 -5.107 -9.284 5.011 1.00 0.00 C ATOM 932 CZ TYR A 126 -4.800 -10.275 5.918 1.00 0.00 C ATOM 933 OH TYR A 126 -5.006 -11.594 5.586 1.00 0.00 O ATOM 0 HA TYR A 126 -2.027 -6.419 6.896 1.00 0.00 H new ATOM 0 HB2 TYR A 126 -4.892 -5.864 7.710 1.00 0.00 H new ATOM 0 HB3 TYR A 126 -4.342 -5.539 6.078 1.00 0.00 H new ATOM 0 HD1 TYR A 126 -3.687 -8.376 8.461 1.00 0.00 H new ATOM 0 HD2 TYR A 126 -5.141 -7.186 4.636 1.00 0.00 H new ATOM 0 HE1 TYR A 126 -4.049 -10.731 7.866 1.00 0.00 H new ATOM 0 HE2 TYR A 126 -5.507 -9.541 4.041 1.00 0.00 H new ATOM 0 HH TYR A 126 -5.371 -11.650 4.678 1.00 0.00 H new ATOM 943 N VAL A 127 -1.730 -4.022 6.296 1.00 0.00 N ATOM 944 CA VAL A 127 -1.377 -2.633 6.044 1.00 0.00 C ATOM 945 C VAL A 127 -2.295 -2.042 4.979 1.00 0.00 C ATOM 946 O VAL A 127 -2.375 -2.555 3.864 1.00 0.00 O ATOM 947 CB VAL A 127 0.088 -2.514 5.586 1.00 0.00 C ATOM 948 CG1 VAL A 127 0.450 -1.077 5.253 1.00 0.00 C ATOM 949 CG2 VAL A 127 1.023 -3.077 6.646 1.00 0.00 C ATOM 0 H VAL A 127 -1.380 -4.678 5.598 1.00 0.00 H new ATOM 0 HA VAL A 127 -1.498 -2.079 6.975 1.00 0.00 H new ATOM 0 HB VAL A 127 0.204 -3.101 4.675 1.00 0.00 H new ATOM 0 HG11 VAL A 127 1.491 -1.029 4.933 1.00 0.00 H new ATOM 0 HG12 VAL A 127 -0.193 -0.716 4.450 1.00 0.00 H new ATOM 0 HG13 VAL A 127 0.312 -0.453 6.136 1.00 0.00 H new ATOM 0 HG21 VAL A 127 2.055 -2.985 6.307 1.00 0.00 H new ATOM 0 HG22 VAL A 127 0.896 -2.522 7.575 1.00 0.00 H new ATOM 0 HG23 VAL A 127 0.789 -4.128 6.816 1.00 0.00 H new ATOM 959 N SER A 128 -2.997 -0.974 5.330 1.00 0.00 N ATOM 960 CA SER A 128 -3.920 -0.336 4.402 1.00 0.00 C ATOM 961 C SER A 128 -3.180 0.399 3.288 1.00 0.00 C ATOM 962 O SER A 128 -2.281 1.202 3.542 1.00 0.00 O ATOM 963 CB SER A 128 -4.839 0.633 5.147 1.00 0.00 C ATOM 964 OG SER A 128 -5.447 0.004 6.262 1.00 0.00 O ATOM 0 H SER A 128 -2.946 -0.532 6.248 1.00 0.00 H new ATOM 0 HA SER A 128 -4.521 -1.122 3.944 1.00 0.00 H new ATOM 0 HB2 SER A 128 -4.266 1.498 5.481 1.00 0.00 H new ATOM 0 HB3 SER A 128 -5.609 1.003 4.470 1.00 0.00 H new ATOM 0 HG SER A 128 -6.028 0.645 6.722 1.00 0.00 H new ATOM 970 N VAL A 129 -3.576 0.123 2.049 1.00 0.00 N ATOM 971 CA VAL A 129 -2.962 0.759 0.892 1.00 0.00 C ATOM 972 C VAL A 129 -3.304 2.245 0.845 1.00 0.00 C ATOM 973 O VAL A 129 -2.503 3.065 0.399 1.00 0.00 O ATOM 974 CB VAL A 129 -3.402 0.083 -0.427 1.00 0.00 C ATOM 975 CG1 VAL A 129 -4.796 0.537 -0.839 1.00 0.00 C ATOM 976 CG2 VAL A 129 -2.389 0.365 -1.528 1.00 0.00 C ATOM 0 H VAL A 129 -4.320 -0.537 1.822 1.00 0.00 H new ATOM 0 HA VAL A 129 -1.883 0.643 0.996 1.00 0.00 H new ATOM 0 HB VAL A 129 -3.442 -0.994 -0.263 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -5.079 0.045 -1.770 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -5.510 0.274 -0.058 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -4.799 1.617 -0.984 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -2.711 -0.117 -2.451 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -2.315 1.441 -1.687 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -1.415 -0.027 -1.235 1.00 0.00 H new ATOM 986 N LYS A 130 -4.501 2.586 1.315 1.00 0.00 N ATOM 987 CA LYS A 130 -4.944 3.976 1.334 1.00 0.00 C ATOM 988 C LYS A 130 -3.917 4.851 2.045 1.00 0.00 C ATOM 989 O LYS A 130 -3.766 6.032 1.731 1.00 0.00 O ATOM 990 CB LYS A 130 -6.306 4.092 2.024 1.00 0.00 C ATOM 991 CG LYS A 130 -7.392 4.674 1.132 1.00 0.00 C ATOM 992 CD LYS A 130 -8.286 5.636 1.895 1.00 0.00 C ATOM 993 CE LYS A 130 -8.846 6.718 0.984 1.00 0.00 C ATOM 994 NZ LYS A 130 -9.420 7.853 1.757 1.00 0.00 N1+ ATOM 0 H LYS A 130 -5.179 1.921 1.687 1.00 0.00 H new ATOM 0 HA LYS A 130 -5.044 4.321 0.305 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -6.617 3.104 2.364 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -6.203 4.717 2.911 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -6.933 5.193 0.290 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -7.995 3.866 0.718 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -9.107 5.085 2.354 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -7.719 6.097 2.704 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -8.056 7.087 0.330 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -9.616 6.290 0.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -9.791 8.568 1.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -10.191 7.506 2.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -8.679 8.279 2.350 1.00 0.00 H new ATOM 1008 N LEU A 131 -3.208 4.256 2.999 1.00 0.00 N ATOM 1009 CA LEU A 131 -2.188 4.969 3.752 1.00 0.00 C ATOM 1010 C LEU A 131 -0.864 4.977 2.989 1.00 0.00 C ATOM 1011 O LEU A 131 -0.077 5.917 3.105 1.00 0.00 O ATOM 1012 CB LEU A 131 -2.025 4.347 5.142 1.00 0.00 C ATOM 1013 CG LEU A 131 -0.877 3.359 5.274 1.00 0.00 C ATOM 1014 CD1 LEU A 131 0.377 4.073 5.746 1.00 0.00 C ATOM 1015 CD2 LEU A 131 -1.244 2.223 6.218 1.00 0.00 C ATOM 0 H LEU A 131 -3.323 3.279 3.268 1.00 0.00 H new ATOM 0 HA LEU A 131 -2.504 6.005 3.879 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -1.880 5.148 5.867 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -2.953 3.840 5.408 1.00 0.00 H new ATOM 0 HG LEU A 131 -0.679 2.925 4.294 1.00 0.00 H new ATOM 0 HD11 LEU A 131 1.192 3.355 5.837 1.00 0.00 H new ATOM 0 HD12 LEU A 131 0.650 4.843 5.025 1.00 0.00 H new ATOM 0 HD13 LEU A 131 0.190 4.534 6.716 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -0.407 1.530 6.296 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -1.472 2.628 7.204 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -2.117 1.696 5.832 1.00 0.00 H new ATOM 1027 N LEU A 132 -0.629 3.928 2.203 1.00 0.00 N ATOM 1028 CA LEU A 132 0.594 3.823 1.415 1.00 0.00 C ATOM 1029 C LEU A 132 0.761 5.038 0.509 1.00 0.00 C ATOM 1030 O LEU A 132 1.875 5.506 0.274 1.00 0.00 O ATOM 1031 CB LEU A 132 0.566 2.553 0.561 1.00 0.00 C ATOM 1032 CG LEU A 132 1.185 1.309 1.203 1.00 0.00 C ATOM 1033 CD1 LEU A 132 0.698 1.136 2.634 1.00 0.00 C ATOM 1034 CD2 LEU A 132 0.857 0.077 0.373 1.00 0.00 C ATOM 0 H LEU A 132 -1.269 3.141 2.096 1.00 0.00 H new ATOM 0 HA LEU A 132 1.437 3.779 2.105 1.00 0.00 H new ATOM 0 HB2 LEU A 132 -0.470 2.331 0.307 1.00 0.00 H new ATOM 0 HB3 LEU A 132 1.088 2.755 -0.375 1.00 0.00 H new ATOM 0 HG LEU A 132 2.267 1.437 1.231 1.00 0.00 H new ATOM 0 HD11 LEU A 132 1.152 0.245 3.068 1.00 0.00 H new ATOM 0 HD12 LEU A 132 0.979 2.010 3.222 1.00 0.00 H new ATOM 0 HD13 LEU A 132 -0.387 1.029 2.639 1.00 0.00 H new ATOM 0 HD21 LEU A 132 1.301 -0.803 0.837 1.00 0.00 H new ATOM 0 HD22 LEU A 132 -0.224 -0.048 0.319 1.00 0.00 H new ATOM 0 HD23 LEU A 132 1.259 0.199 -0.633 1.00 0.00 H new ATOM 1046 N THR A 133 -0.361 5.542 0.004 1.00 0.00 N ATOM 1047 CA THR A 133 -0.360 6.695 -0.875 1.00 0.00 C ATOM 1048 C THR A 133 0.043 7.951 -0.121 1.00 0.00 C ATOM 1049 O THR A 133 0.676 8.850 -0.674 1.00 0.00 O ATOM 1050 CB THR A 133 -1.747 6.867 -1.472 1.00 0.00 C ATOM 1051 OG1 THR A 133 -2.743 6.437 -0.562 1.00 0.00 O ATOM 1052 CG2 THR A 133 -1.929 6.094 -2.752 1.00 0.00 C ATOM 0 H THR A 133 -1.288 5.162 0.194 1.00 0.00 H new ATOM 0 HA THR A 133 0.367 6.533 -1.671 1.00 0.00 H new ATOM 0 HB THR A 133 -1.848 7.931 -1.685 1.00 0.00 H new ATOM 0 HG1 THR A 133 -2.506 6.727 0.344 1.00 0.00 H new ATOM 0 HG21 THR A 133 -2.938 6.254 -3.133 1.00 0.00 H new ATOM 0 HG22 THR A 133 -1.203 6.436 -3.490 1.00 0.00 H new ATOM 0 HG23 THR A 133 -1.778 5.032 -2.560 1.00 0.00 H new ATOM 1060 N SER A 134 -0.321 7.994 1.150 1.00 0.00 N ATOM 1061 CA SER A 134 0.005 9.128 2.003 1.00 0.00 C ATOM 1062 C SER A 134 1.293 8.859 2.773 1.00 0.00 C ATOM 1063 O SER A 134 1.535 9.449 3.826 1.00 0.00 O ATOM 1064 CB SER A 134 -1.141 9.410 2.975 1.00 0.00 C ATOM 1065 OG SER A 134 -0.769 10.386 3.932 1.00 0.00 O ATOM 0 H SER A 134 -0.845 7.254 1.617 1.00 0.00 H new ATOM 0 HA SER A 134 0.151 10.005 1.372 1.00 0.00 H new ATOM 0 HB2 SER A 134 -2.015 9.753 2.422 1.00 0.00 H new ATOM 0 HB3 SER A 134 -1.427 8.489 3.483 1.00 0.00 H new ATOM 0 HG SER A 134 0.208 10.432 3.990 1.00 0.00 H new ATOM 1071 N PHE A 135 2.115 7.960 2.238 1.00 0.00 N ATOM 1072 CA PHE A 135 3.379 7.603 2.868 1.00 0.00 C ATOM 1073 C PHE A 135 4.525 8.439 2.303 1.00 0.00 C ATOM 1074 O PHE A 135 4.875 8.317 1.130 1.00 0.00 O ATOM 1075 CB PHE A 135 3.661 6.112 2.676 1.00 0.00 C ATOM 1076 CG PHE A 135 4.905 5.627 3.374 1.00 0.00 C ATOM 1077 CD1 PHE A 135 5.476 6.361 4.406 1.00 0.00 C ATOM 1078 CD2 PHE A 135 5.502 4.432 3.001 1.00 0.00 C ATOM 1079 CE1 PHE A 135 6.614 5.913 5.048 1.00 0.00 C ATOM 1080 CE2 PHE A 135 6.641 3.980 3.642 1.00 0.00 C ATOM 1081 CZ PHE A 135 7.197 4.720 4.666 1.00 0.00 C ATOM 0 H PHE A 135 1.926 7.465 1.367 1.00 0.00 H new ATOM 0 HA PHE A 135 3.302 7.812 3.935 1.00 0.00 H new ATOM 0 HB2 PHE A 135 2.807 5.542 3.041 1.00 0.00 H new ATOM 0 HB3 PHE A 135 3.751 5.904 1.610 1.00 0.00 H new ATOM 0 HD1 PHE A 135 5.024 7.294 4.710 1.00 0.00 H new ATOM 0 HD2 PHE A 135 5.072 3.848 2.201 1.00 0.00 H new ATOM 0 HE1 PHE A 135 7.048 6.495 5.848 1.00 0.00 H new ATOM 0 HE2 PHE A 135 7.096 3.048 3.341 1.00 0.00 H new ATOM 0 HZ PHE A 135 8.086 4.367 5.168 1.00 0.00 H new ATOM 1091 N LYS A 136 5.093 9.297 3.146 1.00 0.00 N ATOM 1092 CA LYS A 136 6.196 10.178 2.749 1.00 0.00 C ATOM 1093 C LYS A 136 7.217 9.478 1.846 1.00 0.00 C ATOM 1094 O LYS A 136 7.891 10.131 1.049 1.00 0.00 O ATOM 1095 CB LYS A 136 6.899 10.726 3.992 1.00 0.00 C ATOM 1096 CG LYS A 136 8.009 11.716 3.676 1.00 0.00 C ATOM 1097 CD LYS A 136 8.299 12.624 4.860 1.00 0.00 C ATOM 1098 CE LYS A 136 9.386 13.635 4.533 1.00 0.00 C ATOM 1099 NZ LYS A 136 10.721 13.194 5.026 1.00 0.00 N1+ ATOM 0 H LYS A 136 4.806 9.404 4.119 1.00 0.00 H new ATOM 0 HA LYS A 136 5.760 10.994 2.173 1.00 0.00 H new ATOM 0 HB2 LYS A 136 6.162 11.211 4.632 1.00 0.00 H new ATOM 0 HB3 LYS A 136 7.316 9.894 4.560 1.00 0.00 H new ATOM 0 HG2 LYS A 136 8.914 11.174 3.401 1.00 0.00 H new ATOM 0 HG3 LYS A 136 7.725 12.320 2.814 1.00 0.00 H new ATOM 0 HD2 LYS A 136 7.388 13.148 5.150 1.00 0.00 H new ATOM 0 HD3 LYS A 136 8.606 12.022 5.715 1.00 0.00 H new ATOM 0 HE2 LYS A 136 9.429 13.786 3.454 1.00 0.00 H new ATOM 0 HE3 LYS A 136 9.134 14.597 4.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 11.435 13.910 4.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 10.688 13.074 6.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 10.974 12.289 4.581 1.00 0.00 H new ATOM 1113 N LYS A 137 7.334 8.159 1.969 1.00 0.00 N ATOM 1114 CA LYS A 137 8.278 7.404 1.154 1.00 0.00 C ATOM 1115 C LYS A 137 7.720 7.191 -0.245 1.00 0.00 C ATOM 1116 O LYS A 137 8.450 7.245 -1.234 1.00 0.00 O ATOM 1117 CB LYS A 137 8.588 6.057 1.809 1.00 0.00 C ATOM 1118 CG LYS A 137 9.936 6.018 2.511 1.00 0.00 C ATOM 1119 CD LYS A 137 11.020 5.453 1.606 1.00 0.00 C ATOM 1120 CE LYS A 137 12.222 4.978 2.406 1.00 0.00 C ATOM 1121 NZ LYS A 137 13.030 3.979 1.653 1.00 0.00 N1+ ATOM 0 H LYS A 137 6.790 7.594 2.621 1.00 0.00 H new ATOM 0 HA LYS A 137 9.202 7.977 1.077 1.00 0.00 H new ATOM 0 HB2 LYS A 137 7.805 5.825 2.531 1.00 0.00 H new ATOM 0 HB3 LYS A 137 8.561 5.277 1.048 1.00 0.00 H new ATOM 0 HG2 LYS A 137 10.212 7.024 2.827 1.00 0.00 H new ATOM 0 HG3 LYS A 137 9.860 5.410 3.413 1.00 0.00 H new ATOM 0 HD2 LYS A 137 10.616 4.623 1.027 1.00 0.00 H new ATOM 0 HD3 LYS A 137 11.334 6.215 0.893 1.00 0.00 H new ATOM 0 HE2 LYS A 137 12.848 5.833 2.662 1.00 0.00 H new ATOM 0 HE3 LYS A 137 11.883 4.538 3.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 13.840 3.680 2.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 12.440 3.152 1.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 13.375 4.406 0.770 1.00 0.00 H new ATOM 1135 N VAL A 138 6.416 6.958 -0.318 1.00 0.00 N ATOM 1136 CA VAL A 138 5.750 6.747 -1.592 1.00 0.00 C ATOM 1137 C VAL A 138 5.373 8.084 -2.228 1.00 0.00 C ATOM 1138 O VAL A 138 5.471 8.260 -3.441 1.00 0.00 O ATOM 1139 CB VAL A 138 4.489 5.867 -1.425 1.00 0.00 C ATOM 1140 CG1 VAL A 138 3.535 6.035 -2.599 1.00 0.00 C ATOM 1141 CG2 VAL A 138 4.879 4.404 -1.259 1.00 0.00 C ATOM 0 H VAL A 138 5.799 6.911 0.493 1.00 0.00 H new ATOM 0 HA VAL A 138 6.447 6.226 -2.248 1.00 0.00 H new ATOM 0 HB VAL A 138 3.970 6.196 -0.525 1.00 0.00 H new ATOM 0 HG11 VAL A 138 2.660 5.403 -2.450 1.00 0.00 H new ATOM 0 HG12 VAL A 138 3.223 7.077 -2.668 1.00 0.00 H new ATOM 0 HG13 VAL A 138 4.039 5.746 -3.521 1.00 0.00 H new ATOM 0 HG21 VAL A 138 3.980 3.799 -1.143 1.00 0.00 H new ATOM 0 HG22 VAL A 138 5.429 4.072 -2.140 1.00 0.00 H new ATOM 0 HG23 VAL A 138 5.508 4.293 -0.376 1.00 0.00 H new ATOM 1151 N LYS A 139 4.939 9.023 -1.396 1.00 0.00 N ATOM 1152 CA LYS A 139 4.548 10.349 -1.866 1.00 0.00 C ATOM 1153 C LYS A 139 5.691 11.022 -2.618 1.00 0.00 C ATOM 1154 O LYS A 139 5.464 11.824 -3.522 1.00 0.00 O ATOM 1155 CB LYS A 139 4.137 11.228 -0.689 1.00 0.00 C ATOM 1156 CG LYS A 139 3.061 10.616 0.194 1.00 0.00 C ATOM 1157 CD LYS A 139 3.038 11.262 1.572 1.00 0.00 C ATOM 1158 CE LYS A 139 1.765 12.064 1.794 1.00 0.00 C ATOM 1159 NZ LYS A 139 1.997 13.527 1.649 1.00 0.00 N1+ ATOM 0 H LYS A 139 4.848 8.891 -0.389 1.00 0.00 H new ATOM 0 HA LYS A 139 3.703 10.225 -2.544 1.00 0.00 H new ATOM 0 HB2 LYS A 139 5.017 11.437 -0.080 1.00 0.00 H new ATOM 0 HB3 LYS A 139 3.779 12.184 -1.071 1.00 0.00 H new ATOM 0 HG2 LYS A 139 2.087 10.735 -0.281 1.00 0.00 H new ATOM 0 HG3 LYS A 139 3.237 9.545 0.296 1.00 0.00 H new ATOM 0 HD2 LYS A 139 3.121 10.490 2.337 1.00 0.00 H new ATOM 0 HD3 LYS A 139 3.904 11.915 1.683 1.00 0.00 H new ATOM 0 HE2 LYS A 139 1.006 11.745 1.080 1.00 0.00 H new ATOM 0 HE3 LYS A 139 1.374 11.856 2.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 1.105 14.037 1.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 2.703 13.837 2.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 2.346 13.730 0.690 1.00 0.00 H new ATOM 1173 N HIS A 140 6.922 10.689 -2.237 1.00 0.00 N ATOM 1174 CA HIS A 140 8.100 11.262 -2.878 1.00 0.00 C ATOM 1175 C HIS A 140 8.111 10.947 -4.369 1.00 0.00 C ATOM 1176 O HIS A 140 8.830 11.578 -5.143 1.00 0.00 O ATOM 1177 CB HIS A 140 9.374 10.726 -2.222 1.00 0.00 C ATOM 1178 CG HIS A 140 10.529 11.677 -2.294 1.00 0.00 C ATOM 1179 ND1 HIS A 140 11.194 12.140 -1.177 1.00 0.00 N ATOM 1180 CD2 HIS A 140 11.139 12.253 -3.357 1.00 0.00 C ATOM 1181 CE1 HIS A 140 12.161 12.958 -1.550 1.00 0.00 C ATOM 1182 NE2 HIS A 140 12.149 13.044 -2.868 1.00 0.00 N ATOM 0 H HIS A 140 7.128 10.027 -1.489 1.00 0.00 H new ATOM 0 HA HIS A 140 8.063 12.344 -2.753 1.00 0.00 H new ATOM 0 HB2 HIS A 140 9.166 10.498 -1.177 1.00 0.00 H new ATOM 0 HB3 HIS A 140 9.654 9.789 -2.703 1.00 0.00 H new ATOM 0 HD2 HIS A 140 10.879 12.116 -4.396 1.00 0.00 H new ATOM 0 HE1 HIS A 140 12.845 13.470 -0.890 1.00 0.00 H new ATOM 0 HE2 HIS A 140 12.787 13.607 -3.431 1.00 0.00 H new ATOM 1191 N LEU A 141 7.307 9.965 -4.764 1.00 0.00 N ATOM 1192 CA LEU A 141 7.221 9.562 -6.161 1.00 0.00 C ATOM 1193 C LEU A 141 6.483 10.611 -6.988 1.00 0.00 C ATOM 1194 O LEU A 141 7.090 11.336 -7.777 1.00 0.00 O ATOM 1195 CB LEU A 141 6.510 8.214 -6.278 1.00 0.00 C ATOM 1196 CG LEU A 141 7.049 7.117 -5.360 1.00 0.00 C ATOM 1197 CD1 LEU A 141 6.034 5.992 -5.229 1.00 0.00 C ATOM 1198 CD2 LEU A 141 8.375 6.589 -5.882 1.00 0.00 C ATOM 0 H LEU A 141 6.705 9.434 -4.135 1.00 0.00 H new ATOM 0 HA LEU A 141 8.235 9.468 -6.549 1.00 0.00 H new ATOM 0 HB2 LEU A 141 5.451 8.359 -6.063 1.00 0.00 H new ATOM 0 HB3 LEU A 141 6.582 7.871 -7.310 1.00 0.00 H new ATOM 0 HG LEU A 141 7.219 7.543 -4.371 1.00 0.00 H new ATOM 0 HD11 LEU A 141 6.431 5.218 -4.572 1.00 0.00 H new ATOM 0 HD12 LEU A 141 5.108 6.384 -4.808 1.00 0.00 H new ATOM 0 HD13 LEU A 141 5.834 5.566 -6.212 1.00 0.00 H new ATOM 0 HD21 LEU A 141 8.744 5.809 -5.216 1.00 0.00 H new ATOM 0 HD22 LEU A 141 8.234 6.177 -6.881 1.00 0.00 H new ATOM 0 HD23 LEU A 141 9.099 7.402 -5.924 1.00 0.00 H new ATOM 1210 N THR A 142 5.169 10.682 -6.802 1.00 0.00 N ATOM 1211 CA THR A 142 4.336 11.632 -7.528 1.00 0.00 C ATOM 1212 C THR A 142 2.931 11.658 -6.943 1.00 0.00 C ATOM 1213 O THR A 142 2.638 10.954 -5.976 1.00 0.00 O ATOM 1214 CB THR A 142 4.260 11.258 -9.014 1.00 0.00 C ATOM 1215 OG1 THR A 142 5.397 10.510 -9.408 1.00 0.00 O ATOM 1216 CG2 THR A 142 4.164 12.460 -9.929 1.00 0.00 C ATOM 0 H THR A 142 4.656 10.088 -6.150 1.00 0.00 H new ATOM 0 HA THR A 142 4.787 12.620 -7.431 1.00 0.00 H new ATOM 0 HB THR A 142 3.349 10.669 -9.113 1.00 0.00 H new ATOM 0 HG1 THR A 142 6.205 11.049 -9.277 1.00 0.00 H new ATOM 0 HG21 THR A 142 4.114 12.125 -10.965 1.00 0.00 H new ATOM 0 HG22 THR A 142 3.267 13.030 -9.688 1.00 0.00 H new ATOM 0 HG23 THR A 142 5.042 13.091 -9.794 1.00 0.00 H new ATOM 1224 N ARG A 143 2.055 12.450 -7.551 1.00 0.00 N ATOM 1225 CA ARG A 143 0.672 12.535 -7.103 1.00 0.00 C ATOM 1226 C ARG A 143 -0.103 11.295 -7.548 1.00 0.00 C ATOM 1227 O ARG A 143 -1.290 11.150 -7.252 1.00 0.00 O ATOM 1228 CB ARG A 143 0.009 13.797 -7.658 1.00 0.00 C ATOM 1229 CG ARG A 143 -0.134 13.795 -9.172 1.00 0.00 C ATOM 1230 CD ARG A 143 -0.453 15.184 -9.702 1.00 0.00 C ATOM 1231 NE ARG A 143 -1.839 15.565 -9.441 1.00 0.00 N ATOM 1232 CZ ARG A 143 -2.289 16.815 -9.509 1.00 0.00 C ATOM 1233 NH1 ARG A 143 -1.467 17.808 -9.828 1.00 0.00 N1+ ATOM 1234 NH2 ARG A 143 -3.565 17.074 -9.256 1.00 0.00 N ATOM 0 H ARG A 143 2.278 13.040 -8.353 1.00 0.00 H new ATOM 0 HA ARG A 143 0.661 12.586 -6.014 1.00 0.00 H new ATOM 0 HB2 ARG A 143 -0.978 13.906 -7.209 1.00 0.00 H new ATOM 0 HB3 ARG A 143 0.594 14.666 -7.358 1.00 0.00 H new ATOM 0 HG2 ARG A 143 0.789 13.434 -9.625 1.00 0.00 H new ATOM 0 HG3 ARG A 143 -0.924 13.103 -9.463 1.00 0.00 H new ATOM 0 HD2 ARG A 143 0.216 15.910 -9.240 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -0.265 15.215 -10.775 1.00 0.00 H new ATOM 0 HE ARG A 143 -2.500 14.829 -9.192 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -0.485 17.614 -10.023 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -1.818 18.764 -9.879 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -4.200 16.315 -9.010 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -3.911 18.032 -9.308 1.00 0.00 H new ATOM 1248 N ASP A 144 0.582 10.406 -8.267 1.00 0.00 N ATOM 1249 CA ASP A 144 -0.013 9.177 -8.769 1.00 0.00 C ATOM 1250 C ASP A 144 -0.347 8.209 -7.635 1.00 0.00 C ATOM 1251 O ASP A 144 0.165 7.091 -7.590 1.00 0.00 O ATOM 1252 CB ASP A 144 0.946 8.515 -9.763 1.00 0.00 C ATOM 1253 CG ASP A 144 0.634 8.884 -11.201 1.00 0.00 C ATOM 1254 OD1 ASP A 144 -0.104 9.868 -11.415 1.00 0.00 O1- ATOM 1255 OD2 ASP A 144 1.129 8.187 -12.113 1.00 0.00 O ATOM 0 H ASP A 144 1.565 10.522 -8.515 1.00 0.00 H new ATOM 0 HA ASP A 144 -0.947 9.430 -9.270 1.00 0.00 H new ATOM 0 HB2 ASP A 144 1.969 8.810 -9.529 1.00 0.00 H new ATOM 0 HB3 ASP A 144 0.893 7.432 -9.649 1.00 0.00 H new ATOM 1260 N TRP A 145 -1.222 8.639 -6.733 1.00 0.00 N ATOM 1261 CA TRP A 145 -1.635 7.806 -5.620 1.00 0.00 C ATOM 1262 C TRP A 145 -2.622 6.757 -6.113 1.00 0.00 C ATOM 1263 O TRP A 145 -2.532 5.584 -5.754 1.00 0.00 O ATOM 1264 CB TRP A 145 -2.236 8.674 -4.514 1.00 0.00 C ATOM 1265 CG TRP A 145 -1.189 9.439 -3.759 1.00 0.00 C ATOM 1266 CD1 TRP A 145 0.165 9.330 -3.909 1.00 0.00 C ATOM 1267 CD2 TRP A 145 -1.401 10.429 -2.745 1.00 0.00 C ATOM 1268 NE1 TRP A 145 0.809 10.188 -3.055 1.00 0.00 N ATOM 1269 CE2 TRP A 145 -0.131 10.875 -2.327 1.00 0.00 C ATOM 1270 CE3 TRP A 145 -2.538 10.980 -2.149 1.00 0.00 C ATOM 1271 CZ2 TRP A 145 0.030 11.848 -1.343 1.00 0.00 C ATOM 1272 CZ3 TRP A 145 -2.377 11.946 -1.173 1.00 0.00 C ATOM 1273 CH2 TRP A 145 -1.102 12.371 -0.779 1.00 0.00 C ATOM 0 H TRP A 145 -1.657 9.561 -6.755 1.00 0.00 H new ATOM 0 HA TRP A 145 -0.772 7.289 -5.200 1.00 0.00 H new ATOM 0 HB2 TRP A 145 -2.949 9.373 -4.951 1.00 0.00 H new ATOM 0 HB3 TRP A 145 -2.792 8.042 -3.821 1.00 0.00 H new ATOM 0 HD1 TRP A 145 0.657 8.663 -4.601 1.00 0.00 H new ATOM 0 HE1 TRP A 145 1.820 10.298 -2.974 1.00 0.00 H new ATOM 0 HE3 TRP A 145 -3.525 10.657 -2.445 1.00 0.00 H new ATOM 0 HZ2 TRP A 145 1.012 12.177 -1.037 1.00 0.00 H new ATOM 0 HZ3 TRP A 145 -3.249 12.380 -0.707 1.00 0.00 H new ATOM 0 HH2 TRP A 145 -1.010 13.128 -0.014 1.00 0.00 H new ATOM 1284 N ARG A 146 -3.537 7.184 -6.976 1.00 0.00 N ATOM 1285 CA ARG A 146 -4.512 6.272 -7.568 1.00 0.00 C ATOM 1286 C ARG A 146 -3.785 5.102 -8.221 1.00 0.00 C ATOM 1287 O ARG A 146 -4.315 3.994 -8.318 1.00 0.00 O ATOM 1288 CB ARG A 146 -5.365 7.000 -8.617 1.00 0.00 C ATOM 1289 CG ARG A 146 -4.566 7.884 -9.569 1.00 0.00 C ATOM 1290 CD ARG A 146 -5.422 9.004 -10.136 1.00 0.00 C ATOM 1291 NE ARG A 146 -5.462 10.166 -9.251 1.00 0.00 N ATOM 1292 CZ ARG A 146 -4.496 11.079 -9.182 1.00 0.00 C ATOM 1293 NH1 ARG A 146 -3.412 10.969 -9.940 1.00 0.00 N1+ ATOM 1294 NH2 ARG A 146 -4.613 12.106 -8.350 1.00 0.00 N ATOM 0 H ARG A 146 -3.625 8.153 -7.281 1.00 0.00 H new ATOM 0 HA ARG A 146 -5.169 5.903 -6.780 1.00 0.00 H new ATOM 0 HB2 ARG A 146 -5.913 6.260 -9.200 1.00 0.00 H new ATOM 0 HB3 ARG A 146 -6.105 7.614 -8.104 1.00 0.00 H new ATOM 0 HG2 ARG A 146 -3.711 8.308 -9.043 1.00 0.00 H new ATOM 0 HG3 ARG A 146 -4.170 7.278 -10.384 1.00 0.00 H new ATOM 0 HD2 ARG A 146 -5.030 9.303 -11.108 1.00 0.00 H new ATOM 0 HD3 ARG A 146 -6.436 8.638 -10.299 1.00 0.00 H new ATOM 0 HE ARG A 146 -6.278 10.284 -8.651 1.00 0.00 H new ATOM 0 HH11 ARG A 146 -3.315 10.181 -10.581 1.00 0.00 H new ATOM 0 HH12 ARG A 146 -2.676 11.672 -9.882 1.00 0.00 H new ATOM 0 HH21 ARG A 146 -5.443 12.195 -7.764 1.00 0.00 H new ATOM 0 HH22 ARG A 146 -3.873 12.806 -8.297 1.00 0.00 H new ATOM 1308 N THR A 147 -2.556 5.366 -8.655 1.00 0.00 N ATOM 1309 CA THR A 147 -1.728 4.350 -9.289 1.00 0.00 C ATOM 1310 C THR A 147 -1.081 3.465 -8.232 1.00 0.00 C ATOM 1311 O THR A 147 -0.820 2.286 -8.469 1.00 0.00 O ATOM 1312 CB THR A 147 -0.668 5.004 -10.186 1.00 0.00 C ATOM 1313 OG1 THR A 147 0.564 5.148 -9.499 1.00 0.00 O ATOM 1314 CG2 THR A 147 -1.072 6.371 -10.697 1.00 0.00 C ATOM 0 H THR A 147 -2.111 6.281 -8.578 1.00 0.00 H new ATOM 0 HA THR A 147 -2.359 3.723 -9.919 1.00 0.00 H new ATOM 0 HB THR A 147 -0.565 4.331 -11.037 1.00 0.00 H new ATOM 0 HG1 THR A 147 0.437 5.725 -8.717 1.00 0.00 H new ATOM 0 HG21 THR A 147 -0.277 6.775 -11.324 1.00 0.00 H new ATOM 0 HG22 THR A 147 -1.987 6.285 -11.282 1.00 0.00 H new ATOM 0 HG23 THR A 147 -1.243 7.039 -9.853 1.00 0.00 H new ATOM 1322 N THR A 148 -0.850 4.038 -7.056 1.00 0.00 N ATOM 1323 CA THR A 148 -0.260 3.294 -5.949 1.00 0.00 C ATOM 1324 C THR A 148 -1.154 2.123 -5.562 1.00 0.00 C ATOM 1325 O THR A 148 -0.678 1.102 -5.065 1.00 0.00 O ATOM 1326 CB THR A 148 -0.058 4.212 -4.740 1.00 0.00 C ATOM 1327 OG1 THR A 148 0.859 5.249 -5.042 1.00 0.00 O ATOM 1328 CG2 THR A 148 0.451 3.490 -3.510 1.00 0.00 C ATOM 0 H THR A 148 -1.062 5.013 -6.845 1.00 0.00 H new ATOM 0 HA THR A 148 0.708 2.910 -6.270 1.00 0.00 H new ATOM 0 HB THR A 148 -1.047 4.612 -4.519 1.00 0.00 H new ATOM 0 HG1 THR A 148 0.566 5.719 -5.850 1.00 0.00 H new ATOM 0 HG21 THR A 148 0.571 4.202 -2.694 1.00 0.00 H new ATOM 0 HG22 THR A 148 -0.263 2.720 -3.218 1.00 0.00 H new ATOM 0 HG23 THR A 148 1.413 3.027 -3.732 1.00 0.00 H new ATOM 1336 N ALA A 149 -2.453 2.278 -5.793 1.00 0.00 N ATOM 1337 CA ALA A 149 -3.412 1.237 -5.467 1.00 0.00 C ATOM 1338 C ALA A 149 -3.447 0.163 -6.551 1.00 0.00 C ATOM 1339 O ALA A 149 -3.280 -1.022 -6.264 1.00 0.00 O ATOM 1340 CB ALA A 149 -4.789 1.846 -5.254 1.00 0.00 C ATOM 0 H ALA A 149 -2.863 3.116 -6.205 1.00 0.00 H new ATOM 0 HA ALA A 149 -3.099 0.755 -4.541 1.00 0.00 H new ATOM 0 HB1 ALA A 149 -5.502 1.058 -5.010 1.00 0.00 H new ATOM 0 HB2 ALA A 149 -4.747 2.563 -4.435 1.00 0.00 H new ATOM 0 HB3 ALA A 149 -5.107 2.354 -6.165 1.00 0.00 H new ATOM 1346 N HIS A 150 -3.650 0.582 -7.798 1.00 0.00 N ATOM 1347 CA HIS A 150 -3.687 -0.357 -8.917 1.00 0.00 C ATOM 1348 C HIS A 150 -2.335 -1.029 -9.087 1.00 0.00 C ATOM 1349 O HIS A 150 -2.247 -2.242 -9.267 1.00 0.00 O ATOM 1350 CB HIS A 150 -4.068 0.359 -10.210 1.00 0.00 C ATOM 1351 CG HIS A 150 -5.288 -0.207 -10.873 1.00 0.00 C ATOM 1352 ND1 HIS A 150 -6.163 0.350 -11.745 1.00 0.00 N flip ATOM 1353 CD2 HIS A 150 -5.726 -1.499 -10.669 1.00 0.00 C flip ATOM 1354 CE1 HIS A 150 -7.101 -0.605 -12.047 1.00 0.00 C flip ATOM 1355 NE2 HIS A 150 -6.815 -1.711 -11.385 1.00 0.00 N flip ATOM 0 H HIS A 150 -3.790 1.558 -8.058 1.00 0.00 H new ATOM 0 HA HIS A 150 -4.440 -1.114 -8.698 1.00 0.00 H new ATOM 0 HB2 HIS A 150 -4.238 1.414 -9.995 1.00 0.00 H new ATOM 0 HB3 HIS A 150 -3.230 0.307 -10.905 1.00 0.00 H new ATOM 0 HD1 HIS A 150 -6.130 1.302 -12.109 1.00 0.00 H new ATOM 0 HD2 HIS A 150 -5.252 -2.224 -10.024 1.00 0.00 H new ATOM 0 HE1 HIS A 150 -7.937 -0.473 -12.717 1.00 0.00 H new ATOM 1364 N ALA A 151 -1.277 -0.229 -9.030 1.00 0.00 N ATOM 1365 CA ALA A 151 0.076 -0.752 -9.178 1.00 0.00 C ATOM 1366 C ALA A 151 0.304 -1.936 -8.246 1.00 0.00 C ATOM 1367 O ALA A 151 0.807 -2.980 -8.661 1.00 0.00 O ATOM 1368 CB ALA A 151 1.097 0.337 -8.902 1.00 0.00 C ATOM 0 H ALA A 151 -1.329 0.779 -8.883 1.00 0.00 H new ATOM 0 HA ALA A 151 0.197 -1.095 -10.205 1.00 0.00 H new ATOM 0 HB1 ALA A 151 2.102 -0.069 -9.016 1.00 0.00 H new ATOM 0 HB2 ALA A 151 0.954 1.157 -9.606 1.00 0.00 H new ATOM 0 HB3 ALA A 151 0.969 0.707 -7.885 1.00 0.00 H new ATOM 1374 N LEU A 152 -0.075 -1.765 -6.985 1.00 0.00 N ATOM 1375 CA LEU A 152 0.078 -2.812 -5.990 1.00 0.00 C ATOM 1376 C LEU A 152 -0.821 -3.990 -6.301 1.00 0.00 C ATOM 1377 O LEU A 152 -0.450 -5.142 -6.093 1.00 0.00 O ATOM 1378 CB LEU A 152 -0.240 -2.248 -4.616 1.00 0.00 C ATOM 1379 CG LEU A 152 0.970 -1.752 -3.838 1.00 0.00 C ATOM 1380 CD1 LEU A 152 2.039 -1.199 -4.779 1.00 0.00 C ATOM 1381 CD2 LEU A 152 0.550 -0.696 -2.832 1.00 0.00 C ATOM 0 H LEU A 152 -0.492 -0.905 -6.629 1.00 0.00 H new ATOM 0 HA LEU A 152 1.108 -3.168 -6.006 1.00 0.00 H new ATOM 0 HB2 LEU A 152 -0.944 -1.424 -4.730 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -0.742 -3.017 -4.029 1.00 0.00 H new ATOM 0 HG LEU A 152 1.400 -2.598 -3.301 1.00 0.00 H new ATOM 0 HD11 LEU A 152 2.892 -0.852 -4.196 1.00 0.00 H new ATOM 0 HD12 LEU A 152 2.362 -1.983 -5.463 1.00 0.00 H new ATOM 0 HD13 LEU A 152 1.626 -0.367 -5.350 1.00 0.00 H new ATOM 0 HD21 LEU A 152 1.425 -0.349 -2.282 1.00 0.00 H new ATOM 0 HD22 LEU A 152 0.094 0.144 -3.356 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -0.171 -1.124 -2.135 1.00 0.00 H new ATOM 1393 N LYS A 153 -2.000 -3.697 -6.817 1.00 0.00 N ATOM 1394 CA LYS A 153 -2.942 -4.747 -7.183 1.00 0.00 C ATOM 1395 C LYS A 153 -2.246 -5.766 -8.088 1.00 0.00 C ATOM 1396 O LYS A 153 -2.621 -6.937 -8.128 1.00 0.00 O ATOM 1397 CB LYS A 153 -4.169 -4.162 -7.889 1.00 0.00 C ATOM 1398 CG LYS A 153 -5.028 -3.284 -6.990 1.00 0.00 C ATOM 1399 CD LYS A 153 -6.511 -3.584 -7.161 1.00 0.00 C ATOM 1400 CE LYS A 153 -7.209 -2.506 -7.973 1.00 0.00 C ATOM 1401 NZ LYS A 153 -8.151 -3.084 -8.971 1.00 0.00 N1+ ATOM 0 H LYS A 153 -2.330 -2.748 -6.993 1.00 0.00 H new ATOM 0 HA LYS A 153 -3.283 -5.242 -6.274 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -3.839 -3.576 -8.747 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -4.779 -4.978 -8.276 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -4.743 -3.439 -5.950 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -4.840 -2.235 -7.219 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -6.633 -4.548 -7.654 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -6.982 -3.665 -6.181 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -7.754 -1.842 -7.302 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -6.464 -1.899 -8.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -7.894 -2.754 -9.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -8.097 -4.122 -8.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -9.121 -2.780 -8.750 1.00 0.00 H new ATOM 1415 N TYR A 154 -1.209 -5.305 -8.793 1.00 0.00 N ATOM 1416 CA TYR A 154 -0.432 -6.168 -9.678 1.00 0.00 C ATOM 1417 C TYR A 154 0.884 -6.572 -9.007 1.00 0.00 C ATOM 1418 O TYR A 154 1.829 -6.995 -9.673 1.00 0.00 O ATOM 1419 CB TYR A 154 -0.148 -5.454 -11.000 1.00 0.00 C ATOM 1420 CG TYR A 154 -1.385 -4.899 -11.669 1.00 0.00 C ATOM 1421 CD1 TYR A 154 -2.256 -5.729 -12.361 1.00 0.00 C ATOM 1422 CD2 TYR A 154 -1.680 -3.542 -11.607 1.00 0.00 C ATOM 1423 CE1 TYR A 154 -3.388 -5.224 -12.974 1.00 0.00 C ATOM 1424 CE2 TYR A 154 -2.809 -3.030 -12.216 1.00 0.00 C ATOM 1425 CZ TYR A 154 -3.659 -3.875 -12.898 1.00 0.00 C ATOM 1426 OH TYR A 154 -4.785 -3.368 -13.506 1.00 0.00 O ATOM 0 H TYR A 154 -0.890 -4.337 -8.766 1.00 0.00 H new ATOM 0 HA TYR A 154 -1.013 -7.068 -9.882 1.00 0.00 H new ATOM 0 HB2 TYR A 154 0.553 -4.639 -10.819 1.00 0.00 H new ATOM 0 HB3 TYR A 154 0.341 -6.150 -11.681 1.00 0.00 H new ATOM 0 HD1 TYR A 154 -2.046 -6.787 -12.422 1.00 0.00 H new ATOM 0 HD2 TYR A 154 -1.016 -2.878 -11.074 1.00 0.00 H new ATOM 0 HE1 TYR A 154 -4.056 -5.883 -13.509 1.00 0.00 H new ATOM 0 HE2 TYR A 154 -3.025 -1.973 -12.158 1.00 0.00 H new ATOM 0 HH TYR A 154 -5.400 -3.028 -12.823 1.00 0.00 H new ATOM 1436 N SER A 155 0.926 -6.440 -7.683 1.00 0.00 N ATOM 1437 CA SER A 155 2.096 -6.787 -6.897 1.00 0.00 C ATOM 1438 C SER A 155 1.821 -8.049 -6.104 1.00 0.00 C ATOM 1439 O SER A 155 1.148 -8.016 -5.074 1.00 0.00 O ATOM 1440 CB SER A 155 2.450 -5.647 -5.944 1.00 0.00 C ATOM 1441 OG SER A 155 3.525 -6.009 -5.095 1.00 0.00 O ATOM 0 H SER A 155 0.145 -6.088 -7.129 1.00 0.00 H new ATOM 0 HA SER A 155 2.936 -6.957 -7.570 1.00 0.00 H new ATOM 0 HB2 SER A 155 2.718 -4.759 -6.517 1.00 0.00 H new ATOM 0 HB3 SER A 155 1.579 -5.387 -5.343 1.00 0.00 H new ATOM 0 HG SER A 155 3.484 -5.480 -4.271 1.00 0.00 H new ATOM 1447 N VAL A 156 2.322 -9.164 -6.600 1.00 0.00 N ATOM 1448 CA VAL A 156 2.107 -10.439 -5.950 1.00 0.00 C ATOM 1449 C VAL A 156 3.302 -10.852 -5.094 1.00 0.00 C ATOM 1450 O VAL A 156 3.326 -11.950 -4.538 1.00 0.00 O ATOM 1451 CB VAL A 156 1.796 -11.521 -6.995 1.00 0.00 C ATOM 1452 CG1 VAL A 156 3.020 -11.824 -7.846 1.00 0.00 C ATOM 1453 CG2 VAL A 156 1.268 -12.780 -6.326 1.00 0.00 C ATOM 0 H VAL A 156 2.881 -9.211 -7.452 1.00 0.00 H new ATOM 0 HA VAL A 156 1.252 -10.329 -5.283 1.00 0.00 H new ATOM 0 HB VAL A 156 1.018 -11.140 -7.657 1.00 0.00 H new ATOM 0 HG11 VAL A 156 2.773 -12.593 -8.578 1.00 0.00 H new ATOM 0 HG12 VAL A 156 3.336 -10.919 -8.364 1.00 0.00 H new ATOM 0 HG13 VAL A 156 3.829 -12.178 -7.207 1.00 0.00 H new ATOM 0 HG21 VAL A 156 1.054 -13.533 -7.085 1.00 0.00 H new ATOM 0 HG22 VAL A 156 2.016 -13.165 -5.633 1.00 0.00 H new ATOM 0 HG23 VAL A 156 0.354 -12.546 -5.780 1.00 0.00 H new ATOM 1463 N VAL A 157 4.285 -9.960 -4.971 1.00 0.00 N ATOM 1464 CA VAL A 157 5.461 -10.238 -4.159 1.00 0.00 C ATOM 1465 C VAL A 157 5.086 -10.244 -2.683 1.00 0.00 C ATOM 1466 O VAL A 157 5.535 -11.098 -1.918 1.00 0.00 O ATOM 1467 CB VAL A 157 6.576 -9.202 -4.395 1.00 0.00 C ATOM 1468 CG1 VAL A 157 7.822 -9.566 -3.599 1.00 0.00 C ATOM 1469 CG2 VAL A 157 6.895 -9.089 -5.878 1.00 0.00 C ATOM 0 H VAL A 157 4.287 -9.045 -5.422 1.00 0.00 H new ATOM 0 HA VAL A 157 5.837 -11.218 -4.453 1.00 0.00 H new ATOM 0 HB VAL A 157 6.223 -8.231 -4.048 1.00 0.00 H new ATOM 0 HG11 VAL A 157 8.599 -8.823 -3.779 1.00 0.00 H new ATOM 0 HG12 VAL A 157 7.581 -9.589 -2.536 1.00 0.00 H new ATOM 0 HG13 VAL A 157 8.180 -10.547 -3.912 1.00 0.00 H new ATOM 0 HG21 VAL A 157 7.685 -8.352 -6.025 1.00 0.00 H new ATOM 0 HG22 VAL A 157 7.227 -10.057 -6.254 1.00 0.00 H new ATOM 0 HG23 VAL A 157 6.002 -8.777 -6.419 1.00 0.00 H new ATOM 1479 N LEU A 158 4.237 -9.295 -2.298 1.00 0.00 N ATOM 1480 CA LEU A 158 3.772 -9.193 -0.924 1.00 0.00 C ATOM 1481 C LEU A 158 2.359 -9.757 -0.843 1.00 0.00 C ATOM 1482 O LEU A 158 1.841 -10.284 -1.826 1.00 0.00 O ATOM 1483 CB LEU A 158 3.761 -7.729 -0.448 1.00 0.00 C ATOM 1484 CG LEU A 158 5.093 -6.962 -0.510 1.00 0.00 C ATOM 1485 CD1 LEU A 158 5.952 -7.248 0.712 1.00 0.00 C ATOM 1486 CD2 LEU A 158 5.859 -7.274 -1.784 1.00 0.00 C ATOM 0 H LEU A 158 3.858 -8.584 -2.924 1.00 0.00 H new ATOM 0 HA LEU A 158 4.450 -9.756 -0.282 1.00 0.00 H new ATOM 0 HB2 LEU A 158 3.029 -7.185 -1.045 1.00 0.00 H new ATOM 0 HB3 LEU A 158 3.408 -7.711 0.583 1.00 0.00 H new ATOM 0 HG LEU A 158 4.851 -5.899 -0.516 1.00 0.00 H new ATOM 0 HD11 LEU A 158 6.886 -6.691 0.638 1.00 0.00 H new ATOM 0 HD12 LEU A 158 5.418 -6.943 1.612 1.00 0.00 H new ATOM 0 HD13 LEU A 158 6.168 -8.315 0.763 1.00 0.00 H new ATOM 0 HD21 LEU A 158 6.794 -6.714 -1.793 1.00 0.00 H new ATOM 0 HD22 LEU A 158 6.075 -8.342 -1.827 1.00 0.00 H new ATOM 0 HD23 LEU A 158 5.258 -6.990 -2.648 1.00 0.00 H new ATOM 1498 N GLU A 159 1.724 -9.618 0.311 1.00 0.00 N ATOM 1499 CA GLU A 159 0.356 -10.092 0.473 1.00 0.00 C ATOM 1500 C GLU A 159 -0.571 -8.896 0.615 1.00 0.00 C ATOM 1501 O GLU A 159 -0.532 -8.194 1.612 1.00 0.00 O ATOM 1502 CB GLU A 159 0.212 -11.016 1.693 1.00 0.00 C ATOM 1503 CG GLU A 159 1.528 -11.427 2.335 1.00 0.00 C ATOM 1504 CD GLU A 159 2.165 -12.620 1.651 1.00 0.00 C ATOM 1505 OE1 GLU A 159 1.417 -13.495 1.166 1.00 0.00 O ATOM 1506 OE2 GLU A 159 3.412 -12.677 1.596 1.00 0.00 O1- ATOM 0 H GLU A 159 2.128 -9.186 1.142 1.00 0.00 H new ATOM 0 HA GLU A 159 0.088 -10.673 -0.409 1.00 0.00 H new ATOM 0 HB2 GLU A 159 -0.401 -10.515 2.442 1.00 0.00 H new ATOM 0 HB3 GLU A 159 -0.326 -11.915 1.390 1.00 0.00 H new ATOM 0 HG2 GLU A 159 2.220 -10.585 2.307 1.00 0.00 H new ATOM 0 HG3 GLU A 159 1.357 -11.664 3.385 1.00 0.00 H new ATOM 1513 N LEU A 160 -1.388 -8.659 -0.394 1.00 0.00 N ATOM 1514 CA LEU A 160 -2.306 -7.529 -0.384 1.00 0.00 C ATOM 1515 C LEU A 160 -3.684 -7.950 0.106 1.00 0.00 C ATOM 1516 O LEU A 160 -4.108 -9.078 -0.150 1.00 0.00 O ATOM 1517 CB LEU A 160 -2.439 -6.985 -1.808 1.00 0.00 C ATOM 1518 CG LEU A 160 -1.434 -5.918 -2.236 1.00 0.00 C ATOM 1519 CD1 LEU A 160 -2.087 -4.542 -2.270 1.00 0.00 C ATOM 1520 CD2 LEU A 160 -0.201 -5.937 -1.340 1.00 0.00 C ATOM 0 H LEU A 160 -1.437 -9.234 -1.235 1.00 0.00 H new ATOM 0 HA LEU A 160 -1.911 -6.767 0.288 1.00 0.00 H new ATOM 0 HB2 LEU A 160 -2.360 -7.823 -2.500 1.00 0.00 H new ATOM 0 HB3 LEU A 160 -3.441 -6.572 -1.921 1.00 0.00 H new ATOM 0 HG LEU A 160 -1.101 -6.148 -3.248 1.00 0.00 H new ATOM 0 HD11 LEU A 160 -1.352 -3.798 -2.577 1.00 0.00 H new ATOM 0 HD12 LEU A 160 -2.915 -4.549 -2.979 1.00 0.00 H new ATOM 0 HD13 LEU A 160 -2.462 -4.293 -1.277 1.00 0.00 H new ATOM 0 HD21 LEU A 160 0.498 -5.167 -1.667 1.00 0.00 H new ATOM 0 HD22 LEU A 160 -0.497 -5.744 -0.309 1.00 0.00 H new ATOM 0 HD23 LEU A 160 0.279 -6.914 -1.402 1.00 0.00 H new ATOM 1532 N ASN A 161 -4.421 -7.044 0.762 1.00 0.00 N ATOM 1533 CA ASN A 161 -5.772 -7.407 1.185 1.00 0.00 C ATOM 1534 C ASN A 161 -6.540 -7.650 -0.082 1.00 0.00 C ATOM 1535 O ASN A 161 -6.154 -7.072 -1.095 1.00 0.00 O ATOM 1536 CB ASN A 161 -6.459 -6.308 2.000 1.00 0.00 C ATOM 1537 CG ASN A 161 -7.949 -6.547 2.167 1.00 0.00 C ATOM 1538 OD1 ASN A 161 -8.389 -7.678 2.368 1.00 0.00 O ATOM 1539 ND2 ASN A 161 -8.732 -5.478 2.083 1.00 0.00 N ATOM 0 H ASN A 161 -4.121 -6.099 1.001 1.00 0.00 H new ATOM 0 HA ASN A 161 -5.733 -8.280 1.837 1.00 0.00 H new ATOM 0 HB2 ASN A 161 -5.993 -6.245 2.983 1.00 0.00 H new ATOM 0 HB3 ASN A 161 -6.302 -5.347 1.511 1.00 0.00 H new ATOM 0 HD21 ASN A 161 -9.742 -5.576 2.186 1.00 0.00 H new ATOM 0 HD22 ASN A 161 -8.324 -4.559 1.915 1.00 0.00 H new ATOM 1546 N GLU A 162 -7.590 -8.486 0.023 1.00 0.00 N ATOM 1547 CA GLU A 162 -8.453 -8.941 -1.079 1.00 0.00 C ATOM 1548 C GLU A 162 -8.731 -7.932 -2.179 1.00 0.00 C ATOM 1549 O GLU A 162 -8.505 -8.227 -3.353 1.00 0.00 O ATOM 1550 CB GLU A 162 -9.783 -9.401 -0.495 1.00 0.00 C ATOM 1551 CG GLU A 162 -10.596 -10.227 -1.462 1.00 0.00 C ATOM 1552 CD GLU A 162 -12.044 -9.785 -1.544 1.00 0.00 C ATOM 1553 OE1 GLU A 162 -12.638 -9.499 -0.483 1.00 0.00 O1- ATOM 1554 OE2 GLU A 162 -12.585 -9.724 -2.668 1.00 0.00 O ATOM 0 H GLU A 162 -7.871 -8.880 0.921 1.00 0.00 H new ATOM 0 HA GLU A 162 -7.894 -9.741 -1.564 1.00 0.00 H new ATOM 0 HB2 GLU A 162 -9.596 -9.986 0.406 1.00 0.00 H new ATOM 0 HB3 GLU A 162 -10.363 -8.529 -0.194 1.00 0.00 H new ATOM 0 HG2 GLU A 162 -10.146 -10.165 -2.453 1.00 0.00 H new ATOM 0 HG3 GLU A 162 -10.557 -11.274 -1.160 1.00 0.00 H new ATOM 1561 N ASP A 163 -9.183 -6.752 -1.832 1.00 0.00 N ATOM 1562 CA ASP A 163 -9.437 -5.741 -2.846 1.00 0.00 C ATOM 1563 C ASP A 163 -8.128 -5.040 -3.123 1.00 0.00 C ATOM 1564 O ASP A 163 -8.084 -3.856 -3.454 1.00 0.00 O ATOM 1565 CB ASP A 163 -10.495 -4.743 -2.367 1.00 0.00 C ATOM 1566 CG ASP A 163 -10.805 -3.683 -3.407 1.00 0.00 C ATOM 1567 OD1 ASP A 163 -10.836 -4.021 -4.609 1.00 0.00 O ATOM 1568 OD2 ASP A 163 -11.017 -2.515 -3.018 1.00 0.00 O1- ATOM 0 H ASP A 163 -9.382 -6.464 -0.874 1.00 0.00 H new ATOM 0 HA ASP A 163 -9.822 -6.203 -3.755 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -11.410 -5.280 -2.116 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -10.148 -4.261 -1.453 1.00 0.00 H new ATOM 1573 N HIS A 164 -7.047 -5.793 -2.897 1.00 0.00 N ATOM 1574 CA HIS A 164 -5.701 -5.296 -3.017 1.00 0.00 C ATOM 1575 C HIS A 164 -5.631 -3.921 -2.415 1.00 0.00 C ATOM 1576 O HIS A 164 -4.858 -3.057 -2.831 1.00 0.00 O ATOM 1577 CB HIS A 164 -5.202 -5.356 -4.450 1.00 0.00 C ATOM 1578 CG HIS A 164 -5.077 -6.771 -4.914 1.00 0.00 C ATOM 1579 ND1 HIS A 164 -4.812 -7.130 -6.217 1.00 0.00 N ATOM 1580 CD2 HIS A 164 -5.187 -7.932 -4.215 1.00 0.00 C ATOM 1581 CE1 HIS A 164 -4.763 -8.449 -6.306 1.00 0.00 C ATOM 1582 NE2 HIS A 164 -4.988 -8.958 -5.106 1.00 0.00 N ATOM 0 H HIS A 164 -7.098 -6.774 -2.623 1.00 0.00 H new ATOM 0 HA HIS A 164 -5.021 -5.940 -2.459 1.00 0.00 H new ATOM 0 HB2 HIS A 164 -5.889 -4.815 -5.101 1.00 0.00 H new ATOM 0 HB3 HIS A 164 -4.235 -4.859 -4.523 1.00 0.00 H new ATOM 0 HD2 HIS A 164 -5.392 -8.029 -3.159 1.00 0.00 H new ATOM 0 HE1 HIS A 164 -4.572 -9.014 -7.206 1.00 0.00 H new ATOM 0 HE2 HIS A 164 -5.010 -9.952 -4.879 1.00 0.00 H new ATOM 1591 N ARG A 165 -6.460 -3.760 -1.392 1.00 0.00 N ATOM 1592 CA ARG A 165 -6.539 -2.543 -0.657 1.00 0.00 C ATOM 1593 C ARG A 165 -5.534 -2.576 0.460 1.00 0.00 C ATOM 1594 O ARG A 165 -5.247 -1.538 1.056 1.00 0.00 O ATOM 1595 CB ARG A 165 -7.950 -2.334 -0.100 1.00 0.00 C ATOM 1596 CG ARG A 165 -8.953 -1.867 -1.141 1.00 0.00 C ATOM 1597 CD ARG A 165 -8.481 -0.606 -1.848 1.00 0.00 C ATOM 1598 NE ARG A 165 -9.470 0.466 -1.775 1.00 0.00 N ATOM 1599 CZ ARG A 165 -9.473 1.528 -2.578 1.00 0.00 C ATOM 1600 NH1 ARG A 165 -8.542 1.662 -3.515 1.00 0.00 N1+ ATOM 1601 NH2 ARG A 165 -10.409 2.457 -2.445 1.00 0.00 N ATOM 0 H ARG A 165 -7.094 -4.487 -1.061 1.00 0.00 H new ATOM 0 HA ARG A 165 -6.317 -1.709 -1.323 1.00 0.00 H new ATOM 0 HB2 ARG A 165 -8.301 -3.269 0.337 1.00 0.00 H new ATOM 0 HB3 ARG A 165 -7.908 -1.602 0.706 1.00 0.00 H new ATOM 0 HG2 ARG A 165 -9.112 -2.658 -1.874 1.00 0.00 H new ATOM 0 HG3 ARG A 165 -9.914 -1.678 -0.662 1.00 0.00 H new ATOM 0 HD2 ARG A 165 -7.546 -0.268 -1.400 1.00 0.00 H new ATOM 0 HD3 ARG A 165 -8.270 -0.834 -2.893 1.00 0.00 H new ATOM 0 HE ARG A 165 -10.201 0.397 -1.067 1.00 0.00 H new ATOM 0 HH11 ARG A 165 -7.820 0.949 -3.622 1.00 0.00 H new ATOM 0 HH12 ARG A 165 -8.549 2.477 -4.128 1.00 0.00 H new ATOM 0 HH21 ARG A 165 -11.127 2.358 -1.727 1.00 0.00 H new ATOM 0 HH22 ARG A 165 -10.411 3.271 -3.060 1.00 0.00 H new ATOM 1615 N LYS A 166 -4.964 -3.759 0.759 1.00 0.00 N ATOM 1616 CA LYS A 166 -3.965 -3.770 1.841 1.00 0.00 C ATOM 1617 C LYS A 166 -2.689 -4.471 1.438 1.00 0.00 C ATOM 1618 O LYS A 166 -2.561 -4.956 0.321 1.00 0.00 O ATOM 1619 CB LYS A 166 -4.514 -4.388 3.126 1.00 0.00 C ATOM 1620 CG LYS A 166 -5.859 -3.819 3.554 1.00 0.00 C ATOM 1621 CD LYS A 166 -6.346 -4.450 4.850 1.00 0.00 C ATOM 1622 CE LYS A 166 -7.777 -4.045 5.163 1.00 0.00 C ATOM 1623 NZ LYS A 166 -7.849 -2.687 5.770 1.00 0.00 N1+ ATOM 0 H LYS A 166 -5.157 -4.653 0.308 1.00 0.00 H new ATOM 0 HA LYS A 166 -3.730 -2.724 2.036 1.00 0.00 H new ATOM 0 HB2 LYS A 166 -4.613 -5.465 2.987 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -3.793 -4.235 3.929 1.00 0.00 H new ATOM 0 HG2 LYS A 166 -5.774 -2.740 3.683 1.00 0.00 H new ATOM 0 HG3 LYS A 166 -6.594 -3.989 2.767 1.00 0.00 H new ATOM 0 HD2 LYS A 166 -6.282 -5.535 4.774 1.00 0.00 H new ATOM 0 HD3 LYS A 166 -5.694 -4.149 5.670 1.00 0.00 H new ATOM 0 HE2 LYS A 166 -8.369 -4.066 4.248 1.00 0.00 H new ATOM 0 HE3 LYS A 166 -8.219 -4.771 5.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 -8.841 -2.448 5.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 -7.305 -2.674 6.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 -7.450 -1.990 5.109 1.00 0.00 H new ATOM 1637 N VAL A 167 -1.749 -4.517 2.369 1.00 0.00 N ATOM 1638 CA VAL A 167 -0.475 -5.164 2.135 1.00 0.00 C ATOM 1639 C VAL A 167 0.086 -5.710 3.438 1.00 0.00 C ATOM 1640 O VAL A 167 0.767 -5.019 4.192 1.00 0.00 O ATOM 1641 CB VAL A 167 0.532 -4.224 1.436 1.00 0.00 C ATOM 1642 CG1 VAL A 167 0.516 -2.830 2.051 1.00 0.00 C ATOM 1643 CG2 VAL A 167 1.941 -4.802 1.453 1.00 0.00 C ATOM 0 H VAL A 167 -1.849 -4.110 3.299 1.00 0.00 H new ATOM 0 HA VAL A 167 -0.644 -5.999 1.456 1.00 0.00 H new ATOM 0 HB VAL A 167 0.217 -4.136 0.396 1.00 0.00 H new ATOM 0 HG11 VAL A 167 1.237 -2.196 1.534 1.00 0.00 H new ATOM 0 HG12 VAL A 167 -0.481 -2.401 1.953 1.00 0.00 H new ATOM 0 HG13 VAL A 167 0.781 -2.895 3.106 1.00 0.00 H new ATOM 0 HG21 VAL A 167 2.623 -4.114 0.953 1.00 0.00 H new ATOM 0 HG22 VAL A 167 2.263 -4.946 2.484 1.00 0.00 H new ATOM 0 HG23 VAL A 167 1.947 -5.761 0.934 1.00 0.00 H new ATOM 1653 N ARG A 168 -0.231 -6.970 3.683 1.00 0.00 N ATOM 1654 CA ARG A 168 0.211 -7.666 4.886 1.00 0.00 C ATOM 1655 C ARG A 168 1.345 -8.626 4.565 1.00 0.00 C ATOM 1656 O ARG A 168 1.538 -8.998 3.412 1.00 0.00 O ATOM 1657 CB ARG A 168 -0.950 -8.446 5.506 1.00 0.00 C ATOM 1658 CG ARG A 168 -1.566 -9.472 4.568 1.00 0.00 C ATOM 1659 CD ARG A 168 -1.076 -10.877 4.876 1.00 0.00 C ATOM 1660 NE ARG A 168 -1.541 -11.344 6.180 1.00 0.00 N ATOM 1661 CZ ARG A 168 -1.576 -12.626 6.539 1.00 0.00 C ATOM 1662 NH1 ARG A 168 -1.172 -13.570 5.697 1.00 0.00 N1+ ATOM 1663 NH2 ARG A 168 -2.015 -12.964 7.744 1.00 0.00 N ATOM 0 H ARG A 168 -0.800 -7.540 3.058 1.00 0.00 H new ATOM 0 HA ARG A 168 0.566 -6.919 5.596 1.00 0.00 H new ATOM 0 HB2 ARG A 168 -0.597 -8.953 6.404 1.00 0.00 H new ATOM 0 HB3 ARG A 168 -1.722 -7.743 5.819 1.00 0.00 H new ATOM 0 HG2 ARG A 168 -2.652 -9.438 4.653 1.00 0.00 H new ATOM 0 HG3 ARG A 168 -1.319 -9.218 3.537 1.00 0.00 H new ATOM 0 HD2 ARG A 168 -1.423 -11.560 4.101 1.00 0.00 H new ATOM 0 HD3 ARG A 168 0.014 -10.895 4.852 1.00 0.00 H new ATOM 0 HE ARG A 168 -1.857 -10.648 6.855 1.00 0.00 H new ATOM 0 HH11 ARG A 168 -0.833 -13.315 4.770 1.00 0.00 H new ATOM 0 HH12 ARG A 168 -1.201 -14.550 5.978 1.00 0.00 H new ATOM 0 HH21 ARG A 168 -2.325 -12.242 8.395 1.00 0.00 H new ATOM 0 HH22 ARG A 168 -2.042 -13.946 8.020 1.00 0.00 H new ATOM 1677 N ARG A 169 2.083 -9.034 5.592 1.00 0.00 N ATOM 1678 CA ARG A 169 3.186 -9.970 5.412 1.00 0.00 C ATOM 1679 C ARG A 169 2.818 -11.339 5.975 1.00 0.00 C ATOM 1680 O ARG A 169 2.452 -11.459 7.145 1.00 0.00 O ATOM 1681 CB ARG A 169 4.451 -9.449 6.094 1.00 0.00 C ATOM 1682 CG ARG A 169 4.714 -7.972 5.845 1.00 0.00 C ATOM 1683 CD ARG A 169 5.651 -7.388 6.891 1.00 0.00 C ATOM 1684 NE ARG A 169 5.137 -6.139 7.450 1.00 0.00 N ATOM 1685 CZ ARG A 169 4.073 -6.065 8.245 1.00 0.00 C ATOM 1686 NH1 ARG A 169 3.407 -7.164 8.578 1.00 0.00 N1+ ATOM 1687 NH2 ARG A 169 3.673 -4.889 8.709 1.00 0.00 N ATOM 0 H ARG A 169 1.938 -8.732 6.555 1.00 0.00 H new ATOM 0 HA ARG A 169 3.380 -10.067 4.344 1.00 0.00 H new ATOM 0 HB2 ARG A 169 4.371 -9.619 7.168 1.00 0.00 H new ATOM 0 HB3 ARG A 169 5.307 -10.026 5.743 1.00 0.00 H new ATOM 0 HG2 ARG A 169 5.147 -7.841 4.853 1.00 0.00 H new ATOM 0 HG3 ARG A 169 3.770 -7.427 5.855 1.00 0.00 H new ATOM 0 HD2 ARG A 169 5.795 -8.112 7.693 1.00 0.00 H new ATOM 0 HD3 ARG A 169 6.628 -7.210 6.443 1.00 0.00 H new ATOM 0 HE ARG A 169 5.623 -5.273 7.217 1.00 0.00 H new ATOM 0 HH11 ARG A 169 3.710 -8.071 8.224 1.00 0.00 H new ATOM 0 HH12 ARG A 169 2.592 -7.101 9.188 1.00 0.00 H new ATOM 0 HH21 ARG A 169 4.181 -4.041 8.456 1.00 0.00 H new ATOM 0 HH22 ARG A 169 2.857 -4.832 9.319 1.00 0.00 H new ATOM 1701 N THR A 170 2.921 -12.370 5.145 1.00 0.00 N ATOM 1702 CA THR A 170 2.602 -13.726 5.577 1.00 0.00 C ATOM 1703 C THR A 170 3.662 -14.237 6.542 1.00 0.00 C ATOM 1704 O THR A 170 3.352 -14.880 7.545 1.00 0.00 O ATOM 1705 CB THR A 170 2.507 -14.663 4.374 1.00 0.00 C ATOM 1706 OG1 THR A 170 3.503 -14.353 3.416 1.00 0.00 O ATOM 1707 CG2 THR A 170 1.167 -14.607 3.679 1.00 0.00 C ATOM 0 H THR A 170 3.221 -12.294 4.173 1.00 0.00 H new ATOM 0 HA THR A 170 1.638 -13.704 6.085 1.00 0.00 H new ATOM 0 HB THR A 170 2.647 -15.666 4.777 1.00 0.00 H new ATOM 0 HG1 THR A 170 3.426 -14.965 2.654 1.00 0.00 H new ATOM 0 HG21 THR A 170 1.166 -15.296 2.834 1.00 0.00 H new ATOM 0 HG22 THR A 170 0.382 -14.891 4.379 1.00 0.00 H new ATOM 0 HG23 THR A 170 0.985 -13.594 3.321 1.00 0.00 H new ATOM 1715 N THR A 171 4.914 -13.943 6.223 1.00 0.00 N ATOM 1716 CA THR A 171 6.038 -14.366 7.048 1.00 0.00 C ATOM 1717 C THR A 171 6.931 -13.180 7.404 1.00 0.00 C ATOM 1718 O THR A 171 8.047 -13.061 6.899 1.00 0.00 O ATOM 1719 CB THR A 171 6.855 -15.425 6.312 1.00 0.00 C ATOM 1720 OG1 THR A 171 7.945 -15.861 7.105 1.00 0.00 O ATOM 1721 CG2 THR A 171 7.412 -14.931 4.995 1.00 0.00 C ATOM 0 H THR A 171 5.179 -13.410 5.394 1.00 0.00 H new ATOM 0 HA THR A 171 5.643 -14.789 7.972 1.00 0.00 H new ATOM 0 HB THR A 171 6.163 -16.244 6.115 1.00 0.00 H new ATOM 0 HG1 THR A 171 8.454 -16.540 6.616 1.00 0.00 H new ATOM 0 HG21 THR A 171 7.983 -15.728 4.519 1.00 0.00 H new ATOM 0 HG22 THR A 171 6.592 -14.633 4.342 1.00 0.00 H new ATOM 0 HG23 THR A 171 8.063 -14.075 5.173 1.00 0.00 H new ATOM 1729 N PRO A 172 6.455 -12.282 8.284 1.00 0.00 N ATOM 1730 CA PRO A 172 7.228 -11.109 8.698 1.00 0.00 C ATOM 1731 C PRO A 172 8.627 -11.487 9.166 1.00 0.00 C ATOM 1732 O PRO A 172 8.828 -12.552 9.749 1.00 0.00 O ATOM 1733 CB PRO A 172 6.418 -10.533 9.857 1.00 0.00 C ATOM 1734 CG PRO A 172 5.023 -11.002 9.621 1.00 0.00 C ATOM 1735 CD PRO A 172 5.137 -12.341 8.943 1.00 0.00 C ATOM 0 HA PRO A 172 7.374 -10.406 7.878 1.00 0.00 H new ATOM 0 HB2 PRO A 172 6.796 -10.885 10.817 1.00 0.00 H new ATOM 0 HB3 PRO A 172 6.471 -9.444 9.874 1.00 0.00 H new ATOM 0 HG2 PRO A 172 4.477 -11.087 10.561 1.00 0.00 H new ATOM 0 HG3 PRO A 172 4.475 -10.296 8.997 1.00 0.00 H new ATOM 0 HD2 PRO A 172 5.083 -13.160 9.660 1.00 0.00 H new ATOM 0 HD3 PRO A 172 4.334 -12.495 8.222 1.00 0.00 H new