USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=17 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= -0.566 K(o=-0.39,f=-1.5) USER MOD Set 1.2: A 154 TYR OH : rot 144:sc= 0.175 USER MOD Single : A 94 LYS NZ :NH3+ -153:sc= -0.231 (180deg=-1.22) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -0.364 X(o=-0.36,f=-0.11) USER MOD Single : A 103 TYR OH : rot 22:sc= -2.42! USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -4.51! C(o=-4.5!,f=-6.1!) 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= 0.0268 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 THR OG1 : rot -1:sc= -0.536! USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 137 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0877) USER MOD Single : A 139 LYS NZ :NH3+ 153:sc= 0.058 (180deg=-0.0547) USER MOD Single : A 140 HIS : no HE2:sc= -1.24 K(o=-1.2,f=-2.7!) USER MOD Single : A 142 THR OG1 : rot 180:sc=-0.000683 USER MOD Single : A 147 THR OG1 : rot 98:sc= 0.851 USER MOD Single : A 148 THR OG1 : rot 63:sc= 0.774 USER MOD Single : A 153 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 155 SER OG : rot -32:sc= -2.59! USER MOD Single : A 161 ASN : amide:sc= -1.54 K(o=-1.5,f=-4.2!) USER MOD Single : A 164 HIS : no HD1:sc= -1.73 K(o=-1.7,f=-5.3!) USER MOD Single : A 166 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 170 THR OG1 : rot 180:sc= 0 USER MOD Single : A 171 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 257 N PRO A 87 -6.061 2.749 -16.438 1.00 0.00 N ATOM 258 CA PRO A 87 -4.972 1.944 -15.876 1.00 0.00 C ATOM 259 C PRO A 87 -3.594 2.489 -16.241 1.00 0.00 C ATOM 260 O PRO A 87 -3.340 2.831 -17.396 1.00 0.00 O ATOM 261 CB PRO A 87 -5.183 0.565 -16.508 1.00 0.00 C ATOM 262 CG PRO A 87 -5.925 0.836 -17.770 1.00 0.00 C ATOM 263 CD PRO A 87 -6.804 2.021 -17.485 1.00 0.00 C ATOM 0 HA PRO A 87 -4.996 1.938 -14.786 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -4.232 0.071 -16.706 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -5.751 -0.090 -15.848 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -5.238 1.048 -18.589 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.519 -0.028 -18.067 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -6.953 2.635 -18.373 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -7.792 1.716 -17.139 1.00 0.00 H new ATOM 271 N PRO A 88 -2.678 2.575 -15.259 1.00 0.00 N ATOM 272 CA PRO A 88 -1.319 3.077 -15.489 1.00 0.00 C ATOM 273 C PRO A 88 -0.458 2.074 -16.250 1.00 0.00 C ATOM 274 O PRO A 88 -0.972 1.116 -16.829 1.00 0.00 O ATOM 275 CB PRO A 88 -0.779 3.276 -14.072 1.00 0.00 C ATOM 276 CG PRO A 88 -1.509 2.266 -13.257 1.00 0.00 C ATOM 277 CD PRO A 88 -2.890 2.187 -13.849 1.00 0.00 C ATOM 0 HA PRO A 88 -1.310 3.982 -16.097 1.00 0.00 H new ATOM 0 HB2 PRO A 88 0.299 3.117 -14.031 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -0.966 4.288 -13.713 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -1.011 1.297 -13.295 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -1.549 2.563 -12.209 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -3.306 1.183 -13.766 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -3.583 2.862 -13.346 1.00 0.00 H new ATOM 285 N ASP A 89 0.853 2.290 -16.234 1.00 0.00 N ATOM 286 CA ASP A 89 1.780 1.408 -16.903 1.00 0.00 C ATOM 287 C ASP A 89 2.674 0.727 -15.881 1.00 0.00 C ATOM 288 O ASP A 89 3.030 1.319 -14.862 1.00 0.00 O ATOM 289 CB ASP A 89 2.627 2.183 -17.914 1.00 0.00 C ATOM 290 CG ASP A 89 1.797 2.750 -19.049 1.00 0.00 C ATOM 291 OD1 ASP A 89 1.228 3.848 -18.878 1.00 0.00 O ATOM 292 OD2 ASP A 89 1.716 2.095 -20.110 1.00 0.00 O1- ATOM 0 H ASP A 89 1.293 3.078 -15.758 1.00 0.00 H new ATOM 0 HA ASP A 89 1.213 0.649 -17.442 1.00 0.00 H new ATOM 0 HB2 ASP A 89 3.143 2.996 -17.404 1.00 0.00 H new ATOM 0 HB3 ASP A 89 3.394 1.525 -18.322 1.00 0.00 H new ATOM 297 N GLU A 90 3.035 -0.517 -16.155 1.00 0.00 N ATOM 298 CA GLU A 90 3.885 -1.282 -15.261 1.00 0.00 C ATOM 299 C GLU A 90 5.120 -0.484 -14.847 1.00 0.00 C ATOM 300 O GLU A 90 5.717 -0.748 -13.804 1.00 0.00 O ATOM 301 CB GLU A 90 4.311 -2.582 -15.931 1.00 0.00 C ATOM 302 CG GLU A 90 4.639 -2.436 -17.409 1.00 0.00 C ATOM 303 CD GLU A 90 5.910 -3.164 -17.799 1.00 0.00 C ATOM 304 OE1 GLU A 90 6.135 -4.282 -17.288 1.00 0.00 O1- ATOM 305 OE2 GLU A 90 6.681 -2.617 -18.615 1.00 0.00 O ATOM 0 H GLU A 90 2.749 -1.019 -16.995 1.00 0.00 H new ATOM 0 HA GLU A 90 3.310 -1.506 -14.363 1.00 0.00 H new ATOM 0 HB2 GLU A 90 5.185 -2.977 -15.412 1.00 0.00 H new ATOM 0 HB3 GLU A 90 3.514 -3.316 -15.817 1.00 0.00 H new ATOM 0 HG2 GLU A 90 3.808 -2.820 -18.001 1.00 0.00 H new ATOM 0 HG3 GLU A 90 4.741 -1.378 -17.652 1.00 0.00 H new ATOM 312 N GLU A 91 5.493 0.497 -15.665 1.00 0.00 N ATOM 313 CA GLU A 91 6.650 1.333 -15.372 1.00 0.00 C ATOM 314 C GLU A 91 6.543 1.917 -13.971 1.00 0.00 C ATOM 315 O GLU A 91 7.465 1.808 -13.162 1.00 0.00 O ATOM 316 CB GLU A 91 6.755 2.466 -16.393 1.00 0.00 C ATOM 317 CG GLU A 91 6.800 1.985 -17.835 1.00 0.00 C ATOM 318 CD GLU A 91 8.216 1.882 -18.369 1.00 0.00 C ATOM 319 OE1 GLU A 91 8.931 0.936 -17.977 1.00 0.00 O1- ATOM 320 OE2 GLU A 91 8.609 2.747 -19.180 1.00 0.00 O ATOM 0 H GLU A 91 5.011 0.731 -16.533 1.00 0.00 H new ATOM 0 HA GLU A 91 7.545 0.713 -15.430 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.904 3.136 -16.269 1.00 0.00 H new ATOM 0 HB3 GLU A 91 7.652 3.049 -16.185 1.00 0.00 H new ATOM 0 HG2 GLU A 91 6.317 1.010 -17.905 1.00 0.00 H new ATOM 0 HG3 GLU A 91 6.228 2.670 -18.461 1.00 0.00 H new ATOM 327 N LEU A 92 5.402 2.534 -13.697 1.00 0.00 N ATOM 328 CA LEU A 92 5.152 3.140 -12.400 1.00 0.00 C ATOM 329 C LEU A 92 4.725 2.088 -11.377 1.00 0.00 C ATOM 330 O LEU A 92 4.890 2.284 -10.173 1.00 0.00 O ATOM 331 CB LEU A 92 4.079 4.220 -12.527 1.00 0.00 C ATOM 332 CG LEU A 92 4.005 5.211 -11.364 1.00 0.00 C ATOM 333 CD1 LEU A 92 3.413 4.548 -10.130 1.00 0.00 C ATOM 334 CD2 LEU A 92 5.383 5.780 -11.057 1.00 0.00 C ATOM 0 H LEU A 92 4.633 2.627 -14.360 1.00 0.00 H new ATOM 0 HA LEU A 92 6.078 3.596 -12.050 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.256 4.778 -13.447 1.00 0.00 H new ATOM 0 HB3 LEU A 92 3.109 3.734 -12.630 1.00 0.00 H new ATOM 0 HG LEU A 92 3.352 6.033 -11.657 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.369 5.270 -9.315 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.407 4.193 -10.355 1.00 0.00 H new ATOM 0 HD13 LEU A 92 4.038 3.705 -9.835 1.00 0.00 H new ATOM 0 HD21 LEU A 92 5.310 6.483 -10.227 1.00 0.00 H new ATOM 0 HD22 LEU A 92 6.060 4.969 -10.787 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.768 6.296 -11.937 1.00 0.00 H new ATOM 346 N ILE A 93 4.182 0.970 -11.856 1.00 0.00 N ATOM 347 CA ILE A 93 3.745 -0.097 -10.969 1.00 0.00 C ATOM 348 C ILE A 93 4.938 -0.829 -10.368 1.00 0.00 C ATOM 349 O ILE A 93 4.929 -1.188 -9.191 1.00 0.00 O ATOM 350 CB ILE A 93 2.847 -1.104 -11.707 1.00 0.00 C ATOM 351 CG1 ILE A 93 1.708 -0.371 -12.416 1.00 0.00 C ATOM 352 CG2 ILE A 93 2.299 -2.139 -10.736 1.00 0.00 C ATOM 353 CD1 ILE A 93 0.832 -1.276 -13.249 1.00 0.00 C ATOM 0 H ILE A 93 4.036 0.784 -12.848 1.00 0.00 H new ATOM 0 HA ILE A 93 3.169 0.366 -10.168 1.00 0.00 H new ATOM 0 HB ILE A 93 3.444 -1.624 -12.456 1.00 0.00 H new ATOM 0 HG12 ILE A 93 1.092 0.132 -11.671 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.129 0.404 -13.057 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.666 -2.844 -11.275 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.126 -2.676 -10.272 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.712 -1.640 -9.965 1.00 0.00 H new ATOM 0 HD11 ILE A 93 0.046 -0.687 -13.722 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.435 -1.760 -14.017 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.382 -2.035 -12.610 1.00 0.00 H new ATOM 365 N LYS A 94 5.967 -1.038 -11.181 1.00 0.00 N ATOM 366 CA LYS A 94 7.169 -1.721 -10.723 1.00 0.00 C ATOM 367 C LYS A 94 7.933 -0.846 -9.735 1.00 0.00 C ATOM 368 O LYS A 94 8.518 -1.346 -8.774 1.00 0.00 O ATOM 369 CB LYS A 94 8.066 -2.079 -11.910 1.00 0.00 C ATOM 370 CG LYS A 94 7.738 -3.427 -12.534 1.00 0.00 C ATOM 371 CD LYS A 94 7.872 -3.387 -14.047 1.00 0.00 C ATOM 372 CE LYS A 94 9.306 -3.124 -14.473 1.00 0.00 C ATOM 373 NZ LYS A 94 9.573 -1.671 -14.660 1.00 0.00 N1+ ATOM 0 H LYS A 94 5.992 -0.745 -12.158 1.00 0.00 H new ATOM 0 HA LYS A 94 6.871 -2.641 -10.220 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.975 -1.304 -12.671 1.00 0.00 H new ATOM 0 HB3 LYS A 94 9.105 -2.083 -11.582 1.00 0.00 H new ATOM 0 HG2 LYS A 94 8.404 -4.189 -12.129 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.722 -3.716 -12.265 1.00 0.00 H new ATOM 0 HD2 LYS A 94 7.534 -4.334 -14.468 1.00 0.00 H new ATOM 0 HD3 LYS A 94 7.223 -2.609 -14.450 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.987 -3.524 -13.722 1.00 0.00 H new ATOM 0 HE3 LYS A 94 9.511 -3.653 -15.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 10.340 -1.545 -15.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 8.713 -1.202 -15.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 9.853 -1.250 -13.751 1.00 0.00 H new ATOM 387 N LYS A 95 7.913 0.463 -9.969 1.00 0.00 N ATOM 388 CA LYS A 95 8.595 1.402 -9.087 1.00 0.00 C ATOM 389 C LYS A 95 7.966 1.367 -7.700 1.00 0.00 C ATOM 390 O LYS A 95 8.651 1.165 -6.697 1.00 0.00 O ATOM 391 CB LYS A 95 8.528 2.819 -9.659 1.00 0.00 C ATOM 392 CG LYS A 95 9.718 3.181 -10.533 1.00 0.00 C ATOM 393 CD LYS A 95 9.538 4.542 -11.185 1.00 0.00 C ATOM 394 CE LYS A 95 10.843 5.319 -11.220 1.00 0.00 C ATOM 395 NZ LYS A 95 10.738 6.543 -12.063 1.00 0.00 N1+ ATOM 0 H LYS A 95 7.434 0.895 -10.759 1.00 0.00 H new ATOM 0 HA LYS A 95 9.642 1.108 -9.009 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.614 2.923 -10.244 1.00 0.00 H new ATOM 0 HB3 LYS A 95 8.463 3.531 -8.836 1.00 0.00 H new ATOM 0 HG2 LYS A 95 10.626 3.183 -9.930 1.00 0.00 H new ATOM 0 HG3 LYS A 95 9.849 2.422 -11.304 1.00 0.00 H new ATOM 0 HD2 LYS A 95 9.162 4.414 -12.200 1.00 0.00 H new ATOM 0 HD3 LYS A 95 8.788 5.113 -10.637 1.00 0.00 H new ATOM 0 HE2 LYS A 95 11.126 5.600 -10.205 1.00 0.00 H new ATOM 0 HE3 LYS A 95 11.636 4.679 -11.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 11.649 7.045 -12.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 10.493 6.274 -13.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 9.998 7.166 -11.680 1.00 0.00 H new ATOM 409 N LEU A 96 6.650 1.551 -7.656 1.00 0.00 N ATOM 410 CA LEU A 96 5.908 1.531 -6.403 1.00 0.00 C ATOM 411 C LEU A 96 6.155 0.231 -5.648 1.00 0.00 C ATOM 412 O LEU A 96 6.677 0.230 -4.533 1.00 0.00 O ATOM 413 CB LEU A 96 4.413 1.680 -6.683 1.00 0.00 C ATOM 414 CG LEU A 96 3.790 2.968 -6.179 1.00 0.00 C ATOM 415 CD1 LEU A 96 2.643 3.395 -7.083 1.00 0.00 C ATOM 416 CD2 LEU A 96 3.319 2.799 -4.742 1.00 0.00 C ATOM 0 H LEU A 96 6.073 1.717 -8.481 1.00 0.00 H new ATOM 0 HA LEU A 96 6.252 2.363 -5.789 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.252 1.613 -7.759 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.888 0.839 -6.230 1.00 0.00 H new ATOM 0 HG LEU A 96 4.545 3.754 -6.200 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.208 4.321 -6.706 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.017 3.555 -8.094 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.881 2.616 -7.097 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.874 3.731 -4.393 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.577 2.002 -4.694 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.168 2.543 -4.109 1.00 0.00 H new ATOM 428 N VAL A 97 5.764 -0.873 -6.270 1.00 0.00 N ATOM 429 CA VAL A 97 5.922 -2.192 -5.677 1.00 0.00 C ATOM 430 C VAL A 97 7.347 -2.416 -5.174 1.00 0.00 C ATOM 431 O VAL A 97 7.559 -3.070 -4.154 1.00 0.00 O ATOM 432 CB VAL A 97 5.551 -3.294 -6.686 1.00 0.00 C ATOM 433 CG1 VAL A 97 6.598 -3.404 -7.785 1.00 0.00 C ATOM 434 CG2 VAL A 97 5.363 -4.623 -5.977 1.00 0.00 C ATOM 0 H VAL A 97 5.331 -0.879 -7.194 1.00 0.00 H new ATOM 0 HA VAL A 97 5.245 -2.243 -4.825 1.00 0.00 H new ATOM 0 HB VAL A 97 4.606 -3.022 -7.156 1.00 0.00 H new ATOM 0 HG11 VAL A 97 6.311 -4.190 -8.484 1.00 0.00 H new ATOM 0 HG12 VAL A 97 6.669 -2.455 -8.316 1.00 0.00 H new ATOM 0 HG13 VAL A 97 7.565 -3.646 -7.344 1.00 0.00 H new ATOM 0 HG21 VAL A 97 5.101 -5.390 -6.706 1.00 0.00 H new ATOM 0 HG22 VAL A 97 6.289 -4.901 -5.474 1.00 0.00 H new ATOM 0 HG23 VAL A 97 4.564 -4.533 -5.242 1.00 0.00 H new ATOM 444 N ASP A 98 8.318 -1.867 -5.895 1.00 0.00 N ATOM 445 CA ASP A 98 9.719 -2.005 -5.518 1.00 0.00 C ATOM 446 C ASP A 98 9.964 -1.425 -4.129 1.00 0.00 C ATOM 447 O ASP A 98 10.828 -1.899 -3.390 1.00 0.00 O ATOM 448 CB ASP A 98 10.618 -1.306 -6.539 1.00 0.00 C ATOM 449 CG ASP A 98 12.085 -1.633 -6.337 1.00 0.00 C ATOM 450 OD1 ASP A 98 12.409 -2.827 -6.167 1.00 0.00 O ATOM 451 OD2 ASP A 98 12.909 -0.695 -6.351 1.00 0.00 O1- ATOM 0 H ASP A 98 8.161 -1.323 -6.743 1.00 0.00 H new ATOM 0 HA ASP A 98 9.962 -3.067 -5.500 1.00 0.00 H new ATOM 0 HB2 ASP A 98 10.318 -1.600 -7.545 1.00 0.00 H new ATOM 0 HB3 ASP A 98 10.476 -0.228 -6.467 1.00 0.00 H new ATOM 456 N GLN A 99 9.195 -0.399 -3.779 1.00 0.00 N ATOM 457 CA GLN A 99 9.327 0.242 -2.480 1.00 0.00 C ATOM 458 C GLN A 99 8.744 -0.637 -1.382 1.00 0.00 C ATOM 459 O GLN A 99 9.196 -0.598 -0.237 1.00 0.00 O ATOM 460 CB GLN A 99 8.628 1.604 -2.487 1.00 0.00 C ATOM 461 CG GLN A 99 9.532 2.750 -2.909 1.00 0.00 C ATOM 462 CD GLN A 99 10.613 3.048 -1.887 1.00 0.00 C ATOM 463 OE1 GLN A 99 11.772 2.678 -2.066 1.00 0.00 O ATOM 464 NE2 GLN A 99 10.235 3.721 -0.806 1.00 0.00 N ATOM 0 H GLN A 99 8.475 0.005 -4.378 1.00 0.00 H new ATOM 0 HA GLN A 99 10.388 0.388 -2.279 1.00 0.00 H new ATOM 0 HB2 GLN A 99 7.772 1.560 -3.161 1.00 0.00 H new ATOM 0 HB3 GLN A 99 8.238 1.808 -1.490 1.00 0.00 H new ATOM 0 HG2 GLN A 99 9.997 2.508 -3.864 1.00 0.00 H new ATOM 0 HG3 GLN A 99 8.929 3.644 -3.066 1.00 0.00 H new ATOM 0 HE21 GLN A 99 9.262 4.008 -0.698 1.00 0.00 H new ATOM 0 HE22 GLN A 99 10.917 3.950 -0.083 1.00 0.00 H new ATOM 473 N ILE A 100 7.736 -1.431 -1.734 1.00 0.00 N ATOM 474 CA ILE A 100 7.096 -2.314 -0.777 1.00 0.00 C ATOM 475 C ILE A 100 7.992 -3.477 -0.422 1.00 0.00 C ATOM 476 O ILE A 100 8.421 -3.627 0.719 1.00 0.00 O ATOM 477 CB ILE A 100 5.770 -2.871 -1.320 1.00 0.00 C ATOM 478 CG1 ILE A 100 5.008 -1.801 -2.098 1.00 0.00 C ATOM 479 CG2 ILE A 100 4.927 -3.390 -0.176 1.00 0.00 C ATOM 480 CD1 ILE A 100 4.868 -0.512 -1.331 1.00 0.00 C ATOM 0 H ILE A 100 7.348 -1.477 -2.676 1.00 0.00 H new ATOM 0 HA ILE A 100 6.900 -1.715 0.112 1.00 0.00 H new ATOM 0 HB ILE A 100 5.991 -3.691 -2.003 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.524 -1.605 -3.038 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.017 -2.178 -2.350 1.00 0.00 H new ATOM 0 HG21 ILE A 100 3.988 -3.784 -0.565 1.00 0.00 H new ATOM 0 HG22 ILE A 100 5.466 -4.183 0.343 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.719 -2.578 0.520 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.318 0.212 -1.933 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.327 -0.698 -0.403 1.00 0.00 H new ATOM 0 HD13 ILE A 100 5.857 -0.116 -1.101 1.00 0.00 H new ATOM 492 N GLU A 101 8.286 -4.294 -1.415 1.00 0.00 N ATOM 493 CA GLU A 101 9.156 -5.445 -1.210 1.00 0.00 C ATOM 494 C GLU A 101 10.432 -5.015 -0.491 1.00 0.00 C ATOM 495 O GLU A 101 11.087 -5.816 0.175 1.00 0.00 O ATOM 496 CB GLU A 101 9.512 -6.094 -2.549 1.00 0.00 C ATOM 497 CG GLU A 101 10.422 -7.305 -2.416 1.00 0.00 C ATOM 498 CD GLU A 101 11.890 -6.928 -2.361 1.00 0.00 C ATOM 499 OE1 GLU A 101 12.345 -6.185 -3.254 1.00 0.00 O1- ATOM 500 OE2 GLU A 101 12.582 -7.376 -1.424 1.00 0.00 O ATOM 0 H GLU A 101 7.939 -4.187 -2.368 1.00 0.00 H new ATOM 0 HA GLU A 101 8.625 -6.173 -0.597 1.00 0.00 H new ATOM 0 HB2 GLU A 101 8.593 -6.394 -3.053 1.00 0.00 H new ATOM 0 HB3 GLU A 101 9.997 -5.353 -3.185 1.00 0.00 H new ATOM 0 HG2 GLU A 101 10.158 -7.856 -1.513 1.00 0.00 H new ATOM 0 HG3 GLU A 101 10.254 -7.975 -3.259 1.00 0.00 H new ATOM 507 N PHE A 102 10.774 -3.737 -0.641 1.00 0.00 N ATOM 508 CA PHE A 102 11.969 -3.181 -0.018 1.00 0.00 C ATOM 509 C PHE A 102 11.708 -2.695 1.404 1.00 0.00 C ATOM 510 O PHE A 102 12.533 -2.890 2.296 1.00 0.00 O ATOM 511 CB PHE A 102 12.512 -2.028 -0.864 1.00 0.00 C ATOM 512 CG PHE A 102 13.811 -1.470 -0.358 1.00 0.00 C ATOM 513 CD1 PHE A 102 15.014 -2.077 -0.681 1.00 0.00 C ATOM 514 CD2 PHE A 102 13.829 -0.339 0.442 1.00 0.00 C ATOM 515 CE1 PHE A 102 16.211 -1.565 -0.218 1.00 0.00 C ATOM 516 CE2 PHE A 102 15.022 0.178 0.909 1.00 0.00 C ATOM 517 CZ PHE A 102 16.216 -0.437 0.579 1.00 0.00 C ATOM 0 H PHE A 102 10.237 -3.067 -1.191 1.00 0.00 H new ATOM 0 HA PHE A 102 12.706 -3.982 0.038 1.00 0.00 H new ATOM 0 HB2 PHE A 102 12.649 -2.374 -1.889 1.00 0.00 H new ATOM 0 HB3 PHE A 102 11.770 -1.230 -0.894 1.00 0.00 H new ATOM 0 HD1 PHE A 102 15.016 -2.961 -1.302 1.00 0.00 H new ATOM 0 HD2 PHE A 102 12.899 0.144 0.704 1.00 0.00 H new ATOM 0 HE1 PHE A 102 17.142 -2.046 -0.479 1.00 0.00 H new ATOM 0 HE2 PHE A 102 15.022 1.061 1.531 1.00 0.00 H new ATOM 0 HZ PHE A 102 17.150 -0.036 0.944 1.00 0.00 H new ATOM 527 N TYR A 103 10.571 -2.033 1.604 1.00 0.00 N ATOM 528 CA TYR A 103 10.229 -1.485 2.912 1.00 0.00 C ATOM 529 C TYR A 103 9.728 -2.551 3.873 1.00 0.00 C ATOM 530 O TYR A 103 9.683 -2.339 5.084 1.00 0.00 O ATOM 531 CB TYR A 103 9.242 -0.315 2.765 1.00 0.00 C ATOM 532 CG TYR A 103 7.763 -0.642 2.562 1.00 0.00 C ATOM 533 CD1 TYR A 103 7.267 -1.943 2.490 1.00 0.00 C ATOM 534 CD2 TYR A 103 6.852 0.401 2.438 1.00 0.00 C ATOM 535 CE1 TYR A 103 5.926 -2.186 2.305 1.00 0.00 C ATOM 536 CE2 TYR A 103 5.505 0.163 2.251 1.00 0.00 C ATOM 537 CZ TYR A 103 5.046 -1.132 2.187 1.00 0.00 C ATOM 538 OH TYR A 103 3.703 -1.373 1.996 1.00 0.00 O ATOM 0 H TYR A 103 9.874 -1.864 0.879 1.00 0.00 H new ATOM 0 HA TYR A 103 11.143 -1.093 3.358 1.00 0.00 H new ATOM 0 HB2 TYR A 103 9.327 0.307 3.656 1.00 0.00 H new ATOM 0 HB3 TYR A 103 9.568 0.292 1.921 1.00 0.00 H new ATOM 0 HD1 TYR A 103 7.949 -2.776 2.581 1.00 0.00 H new ATOM 0 HD2 TYR A 103 7.206 1.420 2.489 1.00 0.00 H new ATOM 0 HE1 TYR A 103 5.563 -3.202 2.252 1.00 0.00 H new ATOM 0 HE2 TYR A 103 4.816 0.989 2.156 1.00 0.00 H new ATOM 0 HH TYR A 103 3.485 -2.276 2.308 1.00 0.00 H new ATOM 548 N PHE A 104 9.371 -3.704 3.331 1.00 0.00 N ATOM 549 CA PHE A 104 8.898 -4.803 4.153 1.00 0.00 C ATOM 550 C PHE A 104 10.063 -5.689 4.580 1.00 0.00 C ATOM 551 O PHE A 104 9.890 -6.624 5.362 1.00 0.00 O ATOM 552 CB PHE A 104 7.844 -5.624 3.409 1.00 0.00 C ATOM 553 CG PHE A 104 6.600 -5.873 4.214 1.00 0.00 C ATOM 554 CD1 PHE A 104 6.686 -6.262 5.542 1.00 0.00 C ATOM 555 CD2 PHE A 104 5.346 -5.717 3.646 1.00 0.00 C ATOM 556 CE1 PHE A 104 5.545 -6.490 6.287 1.00 0.00 C ATOM 557 CE2 PHE A 104 4.201 -5.944 4.386 1.00 0.00 C ATOM 558 CZ PHE A 104 4.301 -6.331 5.708 1.00 0.00 C ATOM 0 H PHE A 104 9.400 -3.902 2.331 1.00 0.00 H new ATOM 0 HA PHE A 104 8.434 -4.386 5.047 1.00 0.00 H new ATOM 0 HB2 PHE A 104 7.574 -5.106 2.489 1.00 0.00 H new ATOM 0 HB3 PHE A 104 8.278 -6.581 3.120 1.00 0.00 H new ATOM 0 HD1 PHE A 104 7.656 -6.388 5.999 1.00 0.00 H new ATOM 0 HD2 PHE A 104 5.262 -5.414 2.613 1.00 0.00 H new ATOM 0 HE1 PHE A 104 5.626 -6.792 7.321 1.00 0.00 H new ATOM 0 HE2 PHE A 104 3.229 -5.819 3.931 1.00 0.00 H new ATOM 0 HZ PHE A 104 3.408 -6.509 6.288 1.00 0.00 H new ATOM 568 N SER A 105 11.253 -5.377 4.076 1.00 0.00 N ATOM 569 CA SER A 105 12.445 -6.139 4.427 1.00 0.00 C ATOM 570 C SER A 105 12.723 -6.020 5.923 1.00 0.00 C ATOM 571 O SER A 105 12.478 -4.974 6.523 1.00 0.00 O ATOM 572 CB SER A 105 13.651 -5.643 3.627 1.00 0.00 C ATOM 573 OG SER A 105 14.494 -6.718 3.254 1.00 0.00 O ATOM 0 H SER A 105 11.417 -4.607 3.427 1.00 0.00 H new ATOM 0 HA SER A 105 12.272 -7.187 4.182 1.00 0.00 H new ATOM 0 HB2 SER A 105 13.308 -5.119 2.735 1.00 0.00 H new ATOM 0 HB3 SER A 105 14.215 -4.924 4.222 1.00 0.00 H new ATOM 0 HG SER A 105 15.256 -6.374 2.743 1.00 0.00 H new ATOM 579 N ASP A 106 13.232 -7.093 6.523 1.00 0.00 N ATOM 580 CA ASP A 106 13.535 -7.105 7.956 1.00 0.00 C ATOM 581 C ASP A 106 14.248 -5.821 8.386 1.00 0.00 C ATOM 582 O ASP A 106 13.900 -5.208 9.398 1.00 0.00 O ATOM 583 CB ASP A 106 14.402 -8.322 8.302 1.00 0.00 C ATOM 584 CG ASP A 106 15.818 -8.205 7.772 1.00 0.00 C ATOM 585 OD1 ASP A 106 16.001 -8.305 6.540 1.00 0.00 O1- ATOM 586 OD2 ASP A 106 16.745 -8.014 8.588 1.00 0.00 O ATOM 0 H ASP A 106 13.444 -7.967 6.041 1.00 0.00 H new ATOM 0 HA ASP A 106 12.590 -7.167 8.497 1.00 0.00 H new ATOM 0 HB2 ASP A 106 14.433 -8.444 9.385 1.00 0.00 H new ATOM 0 HB3 ASP A 106 13.939 -9.220 7.893 1.00 0.00 H new ATOM 591 N GLU A 107 15.250 -5.429 7.608 1.00 0.00 N ATOM 592 CA GLU A 107 16.033 -4.231 7.891 1.00 0.00 C ATOM 593 C GLU A 107 15.241 -2.959 7.625 1.00 0.00 C ATOM 594 O GLU A 107 15.574 -1.890 8.137 1.00 0.00 O ATOM 595 CB GLU A 107 17.290 -4.225 7.029 1.00 0.00 C ATOM 596 CG GLU A 107 18.217 -5.393 7.305 1.00 0.00 C ATOM 597 CD GLU A 107 18.920 -5.277 8.643 1.00 0.00 C ATOM 598 OE1 GLU A 107 19.518 -4.213 8.910 1.00 0.00 O ATOM 599 OE2 GLU A 107 18.873 -6.249 9.426 1.00 0.00 O1- ATOM 0 H GLU A 107 15.542 -5.929 6.768 1.00 0.00 H new ATOM 0 HA GLU A 107 16.296 -4.252 8.949 1.00 0.00 H new ATOM 0 HB2 GLU A 107 17.001 -4.241 5.978 1.00 0.00 H new ATOM 0 HB3 GLU A 107 17.832 -3.294 7.196 1.00 0.00 H new ATOM 0 HG2 GLU A 107 17.645 -6.320 7.279 1.00 0.00 H new ATOM 0 HG3 GLU A 107 18.962 -5.456 6.512 1.00 0.00 H new ATOM 606 N ASN A 108 14.198 -3.078 6.820 1.00 0.00 N ATOM 607 CA ASN A 108 13.364 -1.931 6.483 1.00 0.00 C ATOM 608 C ASN A 108 12.213 -1.793 7.468 1.00 0.00 C ATOM 609 O ASN A 108 11.603 -0.731 7.578 1.00 0.00 O ATOM 610 CB ASN A 108 12.832 -2.057 5.056 1.00 0.00 C ATOM 611 CG ASN A 108 13.593 -1.179 4.082 1.00 0.00 C ATOM 612 OD1 ASN A 108 13.125 -0.107 3.699 1.00 0.00 O ATOM 613 ND2 ASN A 108 14.774 -1.630 3.677 1.00 0.00 N ATOM 0 H ASN A 108 13.907 -3.955 6.387 1.00 0.00 H new ATOM 0 HA ASN A 108 13.978 -1.033 6.547 1.00 0.00 H new ATOM 0 HB2 ASN A 108 12.900 -3.096 4.735 1.00 0.00 H new ATOM 0 HB3 ASN A 108 11.776 -1.786 5.038 1.00 0.00 H new ATOM 0 HD21 ASN A 108 15.332 -1.082 3.022 1.00 0.00 H new ATOM 0 HD22 ASN A 108 15.123 -2.525 4.020 1.00 0.00 H new ATOM 620 N LEU A 109 11.933 -2.868 8.195 1.00 0.00 N ATOM 621 CA LEU A 109 10.878 -2.866 9.181 1.00 0.00 C ATOM 622 C LEU A 109 11.299 -2.035 10.368 1.00 0.00 C ATOM 623 O LEU A 109 10.572 -1.150 10.818 1.00 0.00 O ATOM 624 CB LEU A 109 10.581 -4.286 9.605 1.00 0.00 C ATOM 625 CG LEU A 109 9.549 -4.997 8.742 1.00 0.00 C ATOM 626 CD1 LEU A 109 8.190 -4.923 9.409 1.00 0.00 C ATOM 627 CD2 LEU A 109 9.481 -4.399 7.345 1.00 0.00 C ATOM 0 H LEU A 109 12.430 -3.755 8.113 1.00 0.00 H new ATOM 0 HA LEU A 109 9.974 -2.432 8.754 1.00 0.00 H new ATOM 0 HB2 LEU A 109 11.508 -4.859 9.587 1.00 0.00 H new ATOM 0 HB3 LEU A 109 10.230 -4.278 10.637 1.00 0.00 H new ATOM 0 HG LEU A 109 9.851 -6.039 8.640 1.00 0.00 H new ATOM 0 HD11 LEU A 109 7.452 -5.433 8.789 1.00 0.00 H new ATOM 0 HD12 LEU A 109 8.238 -5.404 10.386 1.00 0.00 H new ATOM 0 HD13 LEU A 109 7.901 -3.879 9.532 1.00 0.00 H new ATOM 0 HD21 LEU A 109 8.734 -4.932 6.757 1.00 0.00 H new ATOM 0 HD22 LEU A 109 9.206 -3.346 7.413 1.00 0.00 H new ATOM 0 HD23 LEU A 109 10.454 -4.490 6.863 1.00 0.00 H new ATOM 639 N GLU A 110 12.506 -2.307 10.855 1.00 0.00 N ATOM 640 CA GLU A 110 13.052 -1.562 11.967 1.00 0.00 C ATOM 641 C GLU A 110 13.064 -0.067 11.645 1.00 0.00 C ATOM 642 O GLU A 110 13.269 0.769 12.525 1.00 0.00 O ATOM 643 CB GLU A 110 14.471 -2.026 12.331 1.00 0.00 C ATOM 644 CG GLU A 110 14.938 -3.293 11.640 1.00 0.00 C ATOM 645 CD GLU A 110 16.411 -3.573 11.870 1.00 0.00 C ATOM 646 OE1 GLU A 110 16.971 -3.036 12.849 1.00 0.00 O1- ATOM 647 OE2 GLU A 110 17.003 -4.329 11.072 1.00 0.00 O ATOM 0 H GLU A 110 13.118 -3.038 10.493 1.00 0.00 H new ATOM 0 HA GLU A 110 12.410 -1.748 12.828 1.00 0.00 H new ATOM 0 HB2 GLU A 110 15.170 -1.224 12.093 1.00 0.00 H new ATOM 0 HB3 GLU A 110 14.519 -2.181 13.409 1.00 0.00 H new ATOM 0 HG2 GLU A 110 14.351 -4.137 12.001 1.00 0.00 H new ATOM 0 HG3 GLU A 110 14.751 -3.209 10.570 1.00 0.00 H new ATOM 654 N LYS A 111 12.845 0.257 10.369 1.00 0.00 N ATOM 655 CA LYS A 111 12.829 1.636 9.912 1.00 0.00 C ATOM 656 C LYS A 111 11.417 2.047 9.489 1.00 0.00 C ATOM 657 O LYS A 111 11.066 3.226 9.530 1.00 0.00 O ATOM 658 CB LYS A 111 13.820 1.796 8.746 1.00 0.00 C ATOM 659 CG LYS A 111 13.233 2.451 7.504 1.00 0.00 C ATOM 660 CD LYS A 111 14.295 2.682 6.442 1.00 0.00 C ATOM 661 CE LYS A 111 14.929 1.377 5.993 1.00 0.00 C ATOM 662 NZ LYS A 111 15.992 1.597 4.974 1.00 0.00 N1+ ATOM 0 H LYS A 111 12.676 -0.428 9.633 1.00 0.00 H new ATOM 0 HA LYS A 111 13.133 2.291 10.729 1.00 0.00 H new ATOM 0 HB2 LYS A 111 14.669 2.388 9.086 1.00 0.00 H new ATOM 0 HB3 LYS A 111 14.205 0.813 8.475 1.00 0.00 H new ATOM 0 HG2 LYS A 111 12.442 1.820 7.098 1.00 0.00 H new ATOM 0 HG3 LYS A 111 12.775 3.402 7.775 1.00 0.00 H new ATOM 0 HD2 LYS A 111 13.849 3.185 5.584 1.00 0.00 H new ATOM 0 HD3 LYS A 111 15.065 3.345 6.835 1.00 0.00 H new ATOM 0 HE2 LYS A 111 15.354 0.864 6.856 1.00 0.00 H new ATOM 0 HE3 LYS A 111 14.161 0.723 5.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 16.399 0.682 4.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 15.582 2.063 4.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 16.738 2.200 5.376 1.00 0.00 H new ATOM 676 N ASP A 112 10.615 1.067 9.076 1.00 0.00 N ATOM 677 CA ASP A 112 9.249 1.327 8.641 1.00 0.00 C ATOM 678 C ASP A 112 8.245 0.791 9.646 1.00 0.00 C ATOM 679 O ASP A 112 7.611 -0.246 9.435 1.00 0.00 O ATOM 680 CB ASP A 112 9.008 0.708 7.270 1.00 0.00 C ATOM 681 CG ASP A 112 7.604 0.951 6.751 1.00 0.00 C ATOM 682 OD1 ASP A 112 6.784 1.530 7.494 1.00 0.00 O ATOM 683 OD2 ASP A 112 7.323 0.561 5.597 1.00 0.00 O1- ATOM 0 H ASP A 112 10.890 0.086 9.034 1.00 0.00 H new ATOM 0 HA ASP A 112 9.113 2.406 8.571 1.00 0.00 H new ATOM 0 HB2 ASP A 112 9.728 1.117 6.561 1.00 0.00 H new ATOM 0 HB3 ASP A 112 9.189 -0.365 7.325 1.00 0.00 H new ATOM 688 N ALA A 113 8.104 1.517 10.739 1.00 0.00 N ATOM 689 CA ALA A 113 7.177 1.142 11.796 1.00 0.00 C ATOM 690 C ALA A 113 5.742 1.460 11.399 1.00 0.00 C ATOM 691 O ALA A 113 4.807 0.767 11.800 1.00 0.00 O ATOM 692 CB ALA A 113 7.542 1.845 13.093 1.00 0.00 C ATOM 0 H ALA A 113 8.623 2.376 10.921 1.00 0.00 H new ATOM 0 HA ALA A 113 7.253 0.066 11.951 1.00 0.00 H new ATOM 0 HB1 ALA A 113 6.840 1.555 13.874 1.00 0.00 H new ATOM 0 HB2 ALA A 113 8.552 1.561 13.389 1.00 0.00 H new ATOM 0 HB3 ALA A 113 7.497 2.924 12.947 1.00 0.00 H new ATOM 698 N PHE A 114 5.572 2.511 10.602 1.00 0.00 N ATOM 699 CA PHE A 114 4.247 2.914 10.147 1.00 0.00 C ATOM 700 C PHE A 114 3.569 1.780 9.383 1.00 0.00 C ATOM 701 O PHE A 114 2.342 1.708 9.322 1.00 0.00 O ATOM 702 CB PHE A 114 4.336 4.163 9.268 1.00 0.00 C ATOM 703 CG PHE A 114 5.278 4.023 8.106 1.00 0.00 C ATOM 704 CD1 PHE A 114 4.830 3.535 6.889 1.00 0.00 C ATOM 705 CD2 PHE A 114 6.610 4.384 8.230 1.00 0.00 C ATOM 706 CE1 PHE A 114 5.693 3.410 5.817 1.00 0.00 C ATOM 707 CE2 PHE A 114 7.478 4.261 7.162 1.00 0.00 C ATOM 708 CZ PHE A 114 7.019 3.774 5.954 1.00 0.00 C ATOM 0 H PHE A 114 6.333 3.097 10.259 1.00 0.00 H new ATOM 0 HA PHE A 114 3.645 3.148 11.025 1.00 0.00 H new ATOM 0 HB2 PHE A 114 3.342 4.401 8.890 1.00 0.00 H new ATOM 0 HB3 PHE A 114 4.654 5.006 9.882 1.00 0.00 H new ATOM 0 HD1 PHE A 114 3.795 3.249 6.777 1.00 0.00 H new ATOM 0 HD2 PHE A 114 6.974 4.766 9.172 1.00 0.00 H new ATOM 0 HE1 PHE A 114 5.332 3.028 4.873 1.00 0.00 H new ATOM 0 HE2 PHE A 114 8.514 4.545 7.272 1.00 0.00 H new ATOM 0 HZ PHE A 114 7.695 3.678 5.118 1.00 0.00 H new ATOM 718 N LEU A 115 4.375 0.892 8.806 1.00 0.00 N ATOM 719 CA LEU A 115 3.845 -0.240 8.056 1.00 0.00 C ATOM 720 C LEU A 115 3.492 -1.393 8.991 1.00 0.00 C ATOM 721 O LEU A 115 2.340 -1.819 9.059 1.00 0.00 O ATOM 722 CB LEU A 115 4.859 -0.712 7.008 1.00 0.00 C ATOM 723 CG LEU A 115 4.290 -1.630 5.921 1.00 0.00 C ATOM 724 CD1 LEU A 115 3.644 -0.808 4.819 1.00 0.00 C ATOM 725 CD2 LEU A 115 5.379 -2.525 5.348 1.00 0.00 C ATOM 0 H LEU A 115 5.393 0.935 8.844 1.00 0.00 H new ATOM 0 HA LEU A 115 2.938 0.088 7.549 1.00 0.00 H new ATOM 0 HB2 LEU A 115 5.298 0.163 6.529 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.668 -1.236 7.518 1.00 0.00 H new ATOM 0 HG LEU A 115 3.528 -2.265 6.373 1.00 0.00 H new ATOM 0 HD11 LEU A 115 3.245 -1.474 4.054 1.00 0.00 H new ATOM 0 HD12 LEU A 115 2.835 -0.210 5.238 1.00 0.00 H new ATOM 0 HD13 LEU A 115 4.389 -0.149 4.373 1.00 0.00 H new ATOM 0 HD21 LEU A 115 4.953 -3.169 4.578 1.00 0.00 H new ATOM 0 HD22 LEU A 115 6.165 -1.908 4.912 1.00 0.00 H new ATOM 0 HD23 LEU A 115 5.800 -3.140 6.143 1.00 0.00 H new ATOM 737 N LEU A 116 4.493 -1.897 9.706 1.00 0.00 N ATOM 738 CA LEU A 116 4.287 -3.009 10.630 1.00 0.00 C ATOM 739 C LEU A 116 3.773 -2.531 11.986 1.00 0.00 C ATOM 740 O LEU A 116 2.684 -2.912 12.417 1.00 0.00 O ATOM 741 CB LEU A 116 5.588 -3.790 10.815 1.00 0.00 C ATOM 742 CG LEU A 116 5.503 -4.971 11.784 1.00 0.00 C ATOM 743 CD1 LEU A 116 5.105 -6.239 11.045 1.00 0.00 C ATOM 744 CD2 LEU A 116 6.829 -5.166 12.504 1.00 0.00 C ATOM 0 H LEU A 116 5.453 -1.555 9.664 1.00 0.00 H new ATOM 0 HA LEU A 116 3.529 -3.661 10.195 1.00 0.00 H new ATOM 0 HB2 LEU A 116 5.913 -4.160 9.843 1.00 0.00 H new ATOM 0 HB3 LEU A 116 6.358 -3.104 11.169 1.00 0.00 H new ATOM 0 HG LEU A 116 4.737 -4.752 12.528 1.00 0.00 H new ATOM 0 HD11 LEU A 116 5.049 -7.069 11.750 1.00 0.00 H new ATOM 0 HD12 LEU A 116 4.132 -6.096 10.575 1.00 0.00 H new ATOM 0 HD13 LEU A 116 5.848 -6.462 10.279 1.00 0.00 H new ATOM 0 HD21 LEU A 116 6.750 -6.010 13.189 1.00 0.00 H new ATOM 0 HD22 LEU A 116 7.614 -5.363 11.774 1.00 0.00 H new ATOM 0 HD23 LEU A 116 7.074 -4.265 13.066 1.00 0.00 H new ATOM 922 N TYR A 126 -2.858 -6.531 8.725 1.00 0.00 N ATOM 923 CA TYR A 126 -2.624 -6.089 7.354 1.00 0.00 C ATOM 924 C TYR A 126 -2.305 -4.599 7.309 1.00 0.00 C ATOM 925 O TYR A 126 -2.689 -3.845 8.204 1.00 0.00 O ATOM 926 CB TYR A 126 -3.849 -6.383 6.485 1.00 0.00 C ATOM 927 CG TYR A 126 -4.176 -7.855 6.366 1.00 0.00 C ATOM 928 CD1 TYR A 126 -4.735 -8.552 7.431 1.00 0.00 C ATOM 929 CD2 TYR A 126 -3.927 -8.548 5.188 1.00 0.00 C ATOM 930 CE1 TYR A 126 -5.036 -9.896 7.325 1.00 0.00 C ATOM 931 CE2 TYR A 126 -4.225 -9.893 5.074 1.00 0.00 C ATOM 932 CZ TYR A 126 -4.779 -10.562 6.145 1.00 0.00 C ATOM 933 OH TYR A 126 -5.077 -11.900 6.036 1.00 0.00 O ATOM 0 HA TYR A 126 -1.767 -6.639 6.964 1.00 0.00 H new ATOM 0 HB2 TYR A 126 -4.711 -5.862 6.901 1.00 0.00 H new ATOM 0 HB3 TYR A 126 -3.681 -5.976 5.488 1.00 0.00 H new ATOM 0 HD1 TYR A 126 -4.937 -8.034 8.357 1.00 0.00 H new ATOM 0 HD2 TYR A 126 -3.493 -8.027 4.347 1.00 0.00 H new ATOM 0 HE1 TYR A 126 -5.470 -10.423 8.162 1.00 0.00 H new ATOM 0 HE2 TYR A 126 -4.025 -10.417 4.151 1.00 0.00 H new ATOM 0 HH TYR A 126 -4.836 -12.217 5.141 1.00 0.00 H new ATOM 943 N VAL A 127 -1.604 -4.178 6.260 1.00 0.00 N ATOM 944 CA VAL A 127 -1.242 -2.778 6.100 1.00 0.00 C ATOM 945 C VAL A 127 -2.156 -2.102 5.088 1.00 0.00 C ATOM 946 O VAL A 127 -2.382 -2.626 4.001 1.00 0.00 O ATOM 947 CB VAL A 127 0.215 -2.638 5.632 1.00 0.00 C ATOM 948 CG1 VAL A 127 0.601 -1.175 5.504 1.00 0.00 C ATOM 949 CG2 VAL A 127 1.155 -3.373 6.577 1.00 0.00 C ATOM 0 H VAL A 127 -1.277 -4.787 5.510 1.00 0.00 H new ATOM 0 HA VAL A 127 -1.354 -2.296 7.071 1.00 0.00 H new ATOM 0 HB VAL A 127 0.305 -3.094 4.646 1.00 0.00 H new ATOM 0 HG11 VAL A 127 1.636 -1.100 5.172 1.00 0.00 H new ATOM 0 HG12 VAL A 127 -0.050 -0.689 4.777 1.00 0.00 H new ATOM 0 HG13 VAL A 127 0.494 -0.684 6.471 1.00 0.00 H new ATOM 0 HG21 VAL A 127 2.182 -3.262 6.228 1.00 0.00 H new ATOM 0 HG22 VAL A 127 1.065 -2.954 7.579 1.00 0.00 H new ATOM 0 HG23 VAL A 127 0.893 -4.431 6.601 1.00 0.00 H new ATOM 959 N SER A 128 -2.686 -0.943 5.447 1.00 0.00 N ATOM 960 CA SER A 128 -3.582 -0.221 4.556 1.00 0.00 C ATOM 961 C SER A 128 -2.816 0.465 3.427 1.00 0.00 C ATOM 962 O SER A 128 -1.918 1.276 3.669 1.00 0.00 O ATOM 963 CB SER A 128 -4.398 0.808 5.339 1.00 0.00 C ATOM 964 OG SER A 128 -4.462 0.471 6.714 1.00 0.00 O ATOM 0 H SER A 128 -2.513 -0.485 6.342 1.00 0.00 H new ATOM 0 HA SER A 128 -4.260 -0.948 4.109 1.00 0.00 H new ATOM 0 HB2 SER A 128 -3.950 1.795 5.224 1.00 0.00 H new ATOM 0 HB3 SER A 128 -5.406 0.866 4.928 1.00 0.00 H new ATOM 0 HG SER A 128 -4.988 1.146 7.192 1.00 0.00 H new ATOM 970 N VAL A 129 -3.183 0.137 2.192 1.00 0.00 N ATOM 971 CA VAL A 129 -2.539 0.720 1.022 1.00 0.00 C ATOM 972 C VAL A 129 -2.765 2.229 0.968 1.00 0.00 C ATOM 973 O VAL A 129 -1.869 2.991 0.603 1.00 0.00 O ATOM 974 CB VAL A 129 -3.049 0.071 -0.289 1.00 0.00 C ATOM 975 CG1 VAL A 129 -4.325 0.745 -0.781 1.00 0.00 C ATOM 976 CG2 VAL A 129 -1.965 0.116 -1.357 1.00 0.00 C ATOM 0 H VAL A 129 -3.924 -0.530 1.976 1.00 0.00 H new ATOM 0 HA VAL A 129 -1.471 0.523 1.113 1.00 0.00 H new ATOM 0 HB VAL A 129 -3.288 -0.972 -0.081 1.00 0.00 H new ATOM 0 HG11 VAL A 129 -4.657 0.267 -1.702 1.00 0.00 H new ATOM 0 HG12 VAL A 129 -5.102 0.650 -0.023 1.00 0.00 H new ATOM 0 HG13 VAL A 129 -4.129 1.800 -0.970 1.00 0.00 H new ATOM 0 HG21 VAL A 129 -2.337 -0.343 -2.273 1.00 0.00 H new ATOM 0 HG22 VAL A 129 -1.693 1.153 -1.556 1.00 0.00 H new ATOM 0 HG23 VAL A 129 -1.088 -0.429 -1.008 1.00 0.00 H new ATOM 986 N LYS A 130 -3.973 2.649 1.330 1.00 0.00 N ATOM 987 CA LYS A 130 -4.330 4.064 1.323 1.00 0.00 C ATOM 988 C LYS A 130 -3.400 4.879 2.219 1.00 0.00 C ATOM 989 O LYS A 130 -3.301 6.098 2.077 1.00 0.00 O ATOM 990 CB LYS A 130 -5.779 4.243 1.782 1.00 0.00 C ATOM 991 CG LYS A 130 -6.305 5.657 1.594 1.00 0.00 C ATOM 992 CD LYS A 130 -7.091 5.791 0.299 1.00 0.00 C ATOM 993 CE LYS A 130 -7.668 7.189 0.141 1.00 0.00 C ATOM 994 NZ LYS A 130 -6.808 8.050 -0.719 1.00 0.00 N1+ ATOM 0 H LYS A 130 -4.723 2.028 1.633 1.00 0.00 H new ATOM 0 HA LYS A 130 -4.223 4.429 0.302 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -6.415 3.551 1.230 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -5.854 3.973 2.835 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -6.942 5.925 2.437 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -5.471 6.359 1.589 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -6.442 5.566 -0.547 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -7.898 5.059 0.285 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -8.666 7.123 -0.293 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -7.777 7.650 1.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -7.235 8.995 -0.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -5.863 8.134 -0.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -6.724 7.623 -1.664 1.00 0.00 H new ATOM 1008 N LEU A 131 -2.720 4.206 3.143 1.00 0.00 N ATOM 1009 CA LEU A 131 -1.809 4.873 4.054 1.00 0.00 C ATOM 1010 C LEU A 131 -0.447 5.099 3.399 1.00 0.00 C ATOM 1011 O LEU A 131 0.081 6.212 3.419 1.00 0.00 O ATOM 1012 CB LEU A 131 -1.668 4.047 5.337 1.00 0.00 C ATOM 1013 CG LEU A 131 -0.326 4.178 6.049 1.00 0.00 C ATOM 1014 CD1 LEU A 131 -0.100 5.613 6.489 1.00 0.00 C ATOM 1015 CD2 LEU A 131 -0.253 3.229 7.236 1.00 0.00 C ATOM 0 H LEU A 131 -2.786 3.197 3.277 1.00 0.00 H new ATOM 0 HA LEU A 131 -2.218 5.852 4.306 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -2.458 4.341 6.028 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -1.831 2.997 5.094 1.00 0.00 H new ATOM 0 HG LEU A 131 0.465 3.905 5.351 1.00 0.00 H new ATOM 0 HD11 LEU A 131 0.862 5.691 6.996 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -0.104 6.266 5.616 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -0.895 5.914 7.171 1.00 0.00 H new ATOM 0 HD21 LEU A 131 0.712 3.338 7.730 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -1.050 3.466 7.941 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -0.369 2.202 6.889 1.00 0.00 H new ATOM 1027 N LEU A 132 0.118 4.044 2.823 1.00 0.00 N ATOM 1028 CA LEU A 132 1.421 4.145 2.168 1.00 0.00 C ATOM 1029 C LEU A 132 1.371 5.102 0.983 1.00 0.00 C ATOM 1030 O LEU A 132 2.396 5.638 0.564 1.00 0.00 O ATOM 1031 CB LEU A 132 1.903 2.769 1.697 1.00 0.00 C ATOM 1032 CG LEU A 132 2.032 1.700 2.788 1.00 0.00 C ATOM 1033 CD1 LEU A 132 2.494 2.311 4.105 1.00 0.00 C ATOM 1034 CD2 LEU A 132 0.710 0.964 2.966 1.00 0.00 C ATOM 0 H LEU A 132 -0.300 3.114 2.795 1.00 0.00 H new ATOM 0 HA LEU A 132 2.124 4.536 2.903 1.00 0.00 H new ATOM 0 HB2 LEU A 132 1.213 2.404 0.936 1.00 0.00 H new ATOM 0 HB3 LEU A 132 2.874 2.890 1.216 1.00 0.00 H new ATOM 0 HG LEU A 132 2.789 0.982 2.473 1.00 0.00 H new ATOM 0 HD11 LEU A 132 2.576 1.529 4.860 1.00 0.00 H new ATOM 0 HD12 LEU A 132 3.466 2.784 3.965 1.00 0.00 H new ATOM 0 HD13 LEU A 132 1.771 3.057 4.433 1.00 0.00 H new ATOM 0 HD21 LEU A 132 0.816 0.208 3.744 1.00 0.00 H new ATOM 0 HD22 LEU A 132 -0.066 1.674 3.254 1.00 0.00 H new ATOM 0 HD23 LEU A 132 0.432 0.483 2.028 1.00 0.00 H new ATOM 1046 N THR A 133 0.175 5.314 0.446 1.00 0.00 N ATOM 1047 CA THR A 133 0.003 6.207 -0.692 1.00 0.00 C ATOM 1048 C THR A 133 0.438 7.627 -0.340 1.00 0.00 C ATOM 1049 O THR A 133 0.839 8.398 -1.209 1.00 0.00 O ATOM 1050 CB THR A 133 -1.453 6.204 -1.153 1.00 0.00 C ATOM 1051 OG1 THR A 133 -2.044 4.936 -0.935 1.00 0.00 O ATOM 1052 CG2 THR A 133 -1.613 6.536 -2.618 1.00 0.00 C ATOM 0 H THR A 133 -0.686 4.881 0.779 1.00 0.00 H new ATOM 0 HA THR A 133 0.633 5.846 -1.505 1.00 0.00 H new ATOM 0 HB THR A 133 -1.946 6.977 -0.564 1.00 0.00 H new ATOM 0 HG1 THR A 133 -1.382 4.330 -0.543 1.00 0.00 H new ATOM 0 HG21 THR A 133 -2.670 6.517 -2.882 1.00 0.00 H new ATOM 0 HG22 THR A 133 -1.208 7.529 -2.812 1.00 0.00 H new ATOM 0 HG23 THR A 133 -1.076 5.802 -3.218 1.00 0.00 H new ATOM 1060 N SER A 134 0.360 7.960 0.944 1.00 0.00 N ATOM 1061 CA SER A 134 0.751 9.283 1.420 1.00 0.00 C ATOM 1062 C SER A 134 2.099 9.227 2.135 1.00 0.00 C ATOM 1063 O SER A 134 2.423 10.096 2.944 1.00 0.00 O ATOM 1064 CB SER A 134 -0.316 9.845 2.362 1.00 0.00 C ATOM 1065 OG SER A 134 -1.617 9.639 1.840 1.00 0.00 O ATOM 0 H SER A 134 0.029 7.331 1.675 1.00 0.00 H new ATOM 0 HA SER A 134 0.845 9.940 0.555 1.00 0.00 H new ATOM 0 HB2 SER A 134 -0.232 9.367 3.338 1.00 0.00 H new ATOM 0 HB3 SER A 134 -0.146 10.911 2.514 1.00 0.00 H new ATOM 0 HG SER A 134 -2.281 10.006 2.461 1.00 0.00 H new ATOM 1071 N PHE A 135 2.882 8.197 1.826 1.00 0.00 N ATOM 1072 CA PHE A 135 4.195 8.017 2.430 1.00 0.00 C ATOM 1073 C PHE A 135 5.222 8.943 1.782 1.00 0.00 C ATOM 1074 O PHE A 135 5.535 8.807 0.601 1.00 0.00 O ATOM 1075 CB PHE A 135 4.640 6.557 2.308 1.00 0.00 C ATOM 1076 CG PHE A 135 5.996 6.284 2.898 1.00 0.00 C ATOM 1077 CD1 PHE A 135 6.389 6.894 4.078 1.00 0.00 C ATOM 1078 CD2 PHE A 135 6.876 5.415 2.271 1.00 0.00 C ATOM 1079 CE1 PHE A 135 7.635 6.643 4.623 1.00 0.00 C ATOM 1080 CE2 PHE A 135 8.121 5.160 2.812 1.00 0.00 C ATOM 1081 CZ PHE A 135 8.502 5.775 3.989 1.00 0.00 C ATOM 0 H PHE A 135 2.626 7.471 1.156 1.00 0.00 H new ATOM 0 HA PHE A 135 4.124 8.274 3.487 1.00 0.00 H new ATOM 0 HB2 PHE A 135 3.905 5.921 2.801 1.00 0.00 H new ATOM 0 HB3 PHE A 135 4.649 6.277 1.255 1.00 0.00 H new ATOM 0 HD1 PHE A 135 5.715 7.573 4.578 1.00 0.00 H new ATOM 0 HD2 PHE A 135 6.585 4.932 1.350 1.00 0.00 H new ATOM 0 HE1 PHE A 135 7.930 7.125 5.543 1.00 0.00 H new ATOM 0 HE2 PHE A 135 8.797 4.480 2.315 1.00 0.00 H new ATOM 0 HZ PHE A 135 9.476 5.577 4.412 1.00 0.00 H new ATOM 1091 N LYS A 136 5.723 9.896 2.565 1.00 0.00 N ATOM 1092 CA LYS A 136 6.705 10.874 2.089 1.00 0.00 C ATOM 1093 C LYS A 136 7.718 10.271 1.108 1.00 0.00 C ATOM 1094 O LYS A 136 8.212 10.963 0.219 1.00 0.00 O ATOM 1095 CB LYS A 136 7.449 11.485 3.278 1.00 0.00 C ATOM 1096 CG LYS A 136 8.029 12.860 2.990 1.00 0.00 C ATOM 1097 CD LYS A 136 7.876 13.793 4.182 1.00 0.00 C ATOM 1098 CE LYS A 136 7.479 15.194 3.747 1.00 0.00 C ATOM 1099 NZ LYS A 136 8.633 15.951 3.190 1.00 0.00 N1+ ATOM 0 H LYS A 136 5.462 10.014 3.544 1.00 0.00 H new ATOM 0 HA LYS A 136 6.151 11.643 1.551 1.00 0.00 H new ATOM 0 HB2 LYS A 136 6.767 11.558 4.125 1.00 0.00 H new ATOM 0 HB3 LYS A 136 8.255 10.814 3.575 1.00 0.00 H new ATOM 0 HG2 LYS A 136 9.084 12.764 2.735 1.00 0.00 H new ATOM 0 HG3 LYS A 136 7.530 13.292 2.123 1.00 0.00 H new ATOM 0 HD2 LYS A 136 7.123 13.395 4.862 1.00 0.00 H new ATOM 0 HD3 LYS A 136 8.814 13.835 4.735 1.00 0.00 H new ATOM 0 HE2 LYS A 136 6.690 15.131 2.997 1.00 0.00 H new ATOM 0 HE3 LYS A 136 7.067 15.735 4.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 8.320 16.901 2.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 9.376 16.033 3.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 9.011 15.448 2.362 1.00 0.00 H new ATOM 1113 N LYS A 137 8.031 8.988 1.276 1.00 0.00 N ATOM 1114 CA LYS A 137 8.991 8.319 0.405 1.00 0.00 C ATOM 1115 C LYS A 137 8.338 7.858 -0.893 1.00 0.00 C ATOM 1116 O LYS A 137 8.963 7.872 -1.954 1.00 0.00 O ATOM 1117 CB LYS A 137 9.618 7.124 1.127 1.00 0.00 C ATOM 1118 CG LYS A 137 11.115 6.992 0.898 1.00 0.00 C ATOM 1119 CD LYS A 137 11.698 5.828 1.682 1.00 0.00 C ATOM 1120 CE LYS A 137 13.071 5.438 1.160 1.00 0.00 C ATOM 1121 NZ LYS A 137 14.014 6.591 1.159 1.00 0.00 N1+ ATOM 0 H LYS A 137 7.635 8.394 2.005 1.00 0.00 H new ATOM 0 HA LYS A 137 9.771 9.038 0.155 1.00 0.00 H new ATOM 0 HB2 LYS A 137 9.429 7.216 2.197 1.00 0.00 H new ATOM 0 HB3 LYS A 137 9.126 6.210 0.794 1.00 0.00 H new ATOM 0 HG2 LYS A 137 11.310 6.850 -0.165 1.00 0.00 H new ATOM 0 HG3 LYS A 137 11.612 7.916 1.193 1.00 0.00 H new ATOM 0 HD2 LYS A 137 11.771 6.098 2.736 1.00 0.00 H new ATOM 0 HD3 LYS A 137 11.026 4.972 1.618 1.00 0.00 H new ATOM 0 HE2 LYS A 137 13.479 4.636 1.776 1.00 0.00 H new ATOM 0 HE3 LYS A 137 12.976 5.046 0.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 14.979 6.250 0.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 13.738 7.264 0.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 13.984 7.065 2.084 1.00 0.00 H new ATOM 1135 N VAL A 138 7.081 7.442 -0.801 1.00 0.00 N ATOM 1136 CA VAL A 138 6.346 6.966 -1.966 1.00 0.00 C ATOM 1137 C VAL A 138 5.715 8.126 -2.732 1.00 0.00 C ATOM 1138 O VAL A 138 5.646 8.106 -3.960 1.00 0.00 O ATOM 1139 CB VAL A 138 5.256 5.944 -1.559 1.00 0.00 C ATOM 1140 CG1 VAL A 138 4.147 5.864 -2.601 1.00 0.00 C ATOM 1141 CG2 VAL A 138 5.871 4.570 -1.322 1.00 0.00 C ATOM 0 H VAL A 138 6.549 7.425 0.069 1.00 0.00 H new ATOM 0 HA VAL A 138 7.062 6.468 -2.620 1.00 0.00 H new ATOM 0 HB VAL A 138 4.809 6.290 -0.627 1.00 0.00 H new ATOM 0 HG11 VAL A 138 3.400 5.137 -2.282 1.00 0.00 H new ATOM 0 HG12 VAL A 138 3.678 6.842 -2.710 1.00 0.00 H new ATOM 0 HG13 VAL A 138 4.568 5.555 -3.558 1.00 0.00 H new ATOM 0 HG21 VAL A 138 5.089 3.866 -1.037 1.00 0.00 H new ATOM 0 HG22 VAL A 138 6.354 4.225 -2.236 1.00 0.00 H new ATOM 0 HG23 VAL A 138 6.610 4.635 -0.523 1.00 0.00 H new ATOM 1151 N LYS A 139 5.242 9.128 -2.007 1.00 0.00 N ATOM 1152 CA LYS A 139 4.610 10.281 -2.634 1.00 0.00 C ATOM 1153 C LYS A 139 5.573 11.024 -3.553 1.00 0.00 C ATOM 1154 O LYS A 139 5.148 11.797 -4.410 1.00 0.00 O ATOM 1155 CB LYS A 139 4.065 11.242 -1.584 1.00 0.00 C ATOM 1156 CG LYS A 139 5.085 11.644 -0.534 1.00 0.00 C ATOM 1157 CD LYS A 139 5.864 12.881 -0.954 1.00 0.00 C ATOM 1158 CE LYS A 139 4.952 14.085 -1.131 1.00 0.00 C ATOM 1159 NZ LYS A 139 4.877 14.522 -2.553 1.00 0.00 N1+ ATOM 0 H LYS A 139 5.283 9.167 -0.989 1.00 0.00 H new ATOM 0 HA LYS A 139 3.785 9.901 -3.236 1.00 0.00 H new ATOM 0 HB2 LYS A 139 3.697 12.139 -2.082 1.00 0.00 H new ATOM 0 HB3 LYS A 139 3.211 10.779 -1.089 1.00 0.00 H new ATOM 0 HG2 LYS A 139 4.578 11.836 0.412 1.00 0.00 H new ATOM 0 HG3 LYS A 139 5.776 10.819 -0.363 1.00 0.00 H new ATOM 0 HD2 LYS A 139 6.622 13.106 -0.204 1.00 0.00 H new ATOM 0 HD3 LYS A 139 6.389 12.681 -1.888 1.00 0.00 H new ATOM 0 HE2 LYS A 139 3.952 13.838 -0.774 1.00 0.00 H new ATOM 0 HE3 LYS A 139 5.315 14.909 -0.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 3.966 14.994 -2.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 5.653 15.184 -2.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 4.959 13.693 -3.176 1.00 0.00 H new ATOM 1173 N HIS A 140 6.870 10.779 -3.387 1.00 0.00 N ATOM 1174 CA HIS A 140 7.871 11.425 -4.225 1.00 0.00 C ATOM 1175 C HIS A 140 7.815 10.872 -5.648 1.00 0.00 C ATOM 1176 O HIS A 140 8.549 11.321 -6.528 1.00 0.00 O ATOM 1177 CB HIS A 140 9.269 11.220 -3.639 1.00 0.00 C ATOM 1178 CG HIS A 140 10.330 12.019 -4.328 1.00 0.00 C ATOM 1179 ND1 HIS A 140 10.917 11.627 -5.513 1.00 0.00 N ATOM 1180 CD2 HIS A 140 10.911 13.197 -3.995 1.00 0.00 C ATOM 1181 CE1 HIS A 140 11.814 12.528 -5.877 1.00 0.00 C ATOM 1182 NE2 HIS A 140 11.829 13.489 -4.973 1.00 0.00 N ATOM 0 H HIS A 140 7.249 10.143 -2.685 1.00 0.00 H new ATOM 0 HA HIS A 140 7.655 12.493 -4.256 1.00 0.00 H new ATOM 0 HB2 HIS A 140 9.254 11.487 -2.582 1.00 0.00 H new ATOM 0 HB3 HIS A 140 9.527 10.163 -3.697 1.00 0.00 H new ATOM 0 HD1 HIS A 140 10.694 10.775 -6.028 1.00 0.00 H new ATOM 0 HD2 HIS A 140 10.693 13.795 -3.123 1.00 0.00 H new ATOM 0 HE1 HIS A 140 12.430 12.485 -6.763 1.00 0.00 H new ATOM 1191 N LEU A 141 6.941 9.890 -5.861 1.00 0.00 N ATOM 1192 CA LEU A 141 6.789 9.263 -7.165 1.00 0.00 C ATOM 1193 C LEU A 141 5.991 10.144 -8.127 1.00 0.00 C ATOM 1194 O LEU A 141 6.564 10.808 -8.990 1.00 0.00 O ATOM 1195 CB LEU A 141 6.105 7.909 -6.998 1.00 0.00 C ATOM 1196 CG LEU A 141 6.854 6.924 -6.104 1.00 0.00 C ATOM 1197 CD1 LEU A 141 5.929 5.810 -5.651 1.00 0.00 C ATOM 1198 CD2 LEU A 141 8.065 6.360 -6.829 1.00 0.00 C ATOM 0 H LEU A 141 6.326 9.512 -5.140 1.00 0.00 H new ATOM 0 HA LEU A 141 7.781 9.126 -7.596 1.00 0.00 H new ATOM 0 HB2 LEU A 141 5.109 8.069 -6.585 1.00 0.00 H new ATOM 0 HB3 LEU A 141 5.974 7.459 -7.982 1.00 0.00 H new ATOM 0 HG LEU A 141 7.205 7.456 -5.220 1.00 0.00 H new ATOM 0 HD11 LEU A 141 6.479 5.117 -5.015 1.00 0.00 H new ATOM 0 HD12 LEU A 141 5.096 6.234 -5.091 1.00 0.00 H new ATOM 0 HD13 LEU A 141 5.547 5.278 -6.522 1.00 0.00 H new ATOM 0 HD21 LEU A 141 8.586 5.660 -6.176 1.00 0.00 H new ATOM 0 HD22 LEU A 141 7.740 5.842 -7.731 1.00 0.00 H new ATOM 0 HD23 LEU A 141 8.738 7.173 -7.100 1.00 0.00 H new ATOM 1210 N THR A 142 4.668 10.140 -7.980 1.00 0.00 N ATOM 1211 CA THR A 142 3.801 10.933 -8.844 1.00 0.00 C ATOM 1212 C THR A 142 2.669 11.571 -8.047 1.00 0.00 C ATOM 1213 O THR A 142 2.538 11.346 -6.844 1.00 0.00 O ATOM 1214 CB THR A 142 3.226 10.058 -9.962 1.00 0.00 C ATOM 1215 OG1 THR A 142 4.111 8.997 -10.272 1.00 0.00 O ATOM 1216 CG2 THR A 142 2.959 10.821 -11.242 1.00 0.00 C ATOM 0 H THR A 142 4.175 9.597 -7.271 1.00 0.00 H new ATOM 0 HA THR A 142 4.400 11.730 -9.285 1.00 0.00 H new ATOM 0 HB THR A 142 2.278 9.683 -9.577 1.00 0.00 H new ATOM 0 HG1 THR A 142 3.726 8.448 -10.987 1.00 0.00 H new ATOM 0 HG21 THR A 142 2.553 10.142 -11.992 1.00 0.00 H new ATOM 0 HG22 THR A 142 2.242 11.618 -11.047 1.00 0.00 H new ATOM 0 HG23 THR A 142 3.890 11.253 -11.609 1.00 0.00 H new ATOM 1224 N ARG A 143 1.851 12.370 -8.728 1.00 0.00 N ATOM 1225 CA ARG A 143 0.727 13.042 -8.085 1.00 0.00 C ATOM 1226 C ARG A 143 -0.566 12.253 -8.279 1.00 0.00 C ATOM 1227 O ARG A 143 -1.659 12.818 -8.254 1.00 0.00 O ATOM 1228 CB ARG A 143 0.564 14.456 -8.644 1.00 0.00 C ATOM 1229 CG ARG A 143 -0.359 15.335 -7.817 1.00 0.00 C ATOM 1230 CD ARG A 143 -1.208 16.237 -8.699 1.00 0.00 C ATOM 1231 NE ARG A 143 -2.512 15.646 -8.990 1.00 0.00 N ATOM 1232 CZ ARG A 143 -3.459 16.254 -9.701 1.00 0.00 C ATOM 1233 NH1 ARG A 143 -3.252 17.469 -10.193 1.00 0.00 N1+ ATOM 1234 NH2 ARG A 143 -4.618 15.645 -9.919 1.00 0.00 N ATOM 0 H ARG A 143 1.946 12.567 -9.724 1.00 0.00 H new ATOM 0 HA ARG A 143 0.936 13.102 -7.017 1.00 0.00 H new ATOM 0 HB2 ARG A 143 1.544 14.929 -8.705 1.00 0.00 H new ATOM 0 HB3 ARG A 143 0.177 14.393 -9.661 1.00 0.00 H new ATOM 0 HG2 ARG A 143 -1.007 14.708 -7.205 1.00 0.00 H new ATOM 0 HG3 ARG A 143 0.233 15.945 -7.134 1.00 0.00 H new ATOM 0 HD2 ARG A 143 -1.348 17.199 -8.206 1.00 0.00 H new ATOM 0 HD3 ARG A 143 -0.681 16.431 -9.633 1.00 0.00 H new ATOM 0 HE ARG A 143 -2.708 14.713 -8.627 1.00 0.00 H new ATOM 0 HH11 ARG A 143 -2.364 17.942 -10.027 1.00 0.00 H new ATOM 0 HH12 ARG A 143 -3.981 17.930 -10.737 1.00 0.00 H new ATOM 0 HH21 ARG A 143 -4.783 14.712 -9.542 1.00 0.00 H new ATOM 0 HH22 ARG A 143 -5.344 16.110 -10.464 1.00 0.00 H new ATOM 1248 N ASP A 144 -0.433 10.944 -8.473 1.00 0.00 N ATOM 1249 CA ASP A 144 -1.588 10.077 -8.669 1.00 0.00 C ATOM 1250 C ASP A 144 -1.635 8.996 -7.592 1.00 0.00 C ATOM 1251 O ASP A 144 -1.429 7.814 -7.868 1.00 0.00 O ATOM 1252 CB ASP A 144 -1.537 9.439 -10.060 1.00 0.00 C ATOM 1253 CG ASP A 144 -2.896 9.410 -10.732 1.00 0.00 C ATOM 1254 OD1 ASP A 144 -3.810 8.752 -10.193 1.00 0.00 O ATOM 1255 OD2 ASP A 144 -3.045 10.044 -11.797 1.00 0.00 O1- ATOM 0 H ASP A 144 0.465 10.461 -8.498 1.00 0.00 H new ATOM 0 HA ASP A 144 -2.493 10.680 -8.591 1.00 0.00 H new ATOM 0 HB2 ASP A 144 -0.837 9.993 -10.686 1.00 0.00 H new ATOM 0 HB3 ASP A 144 -1.154 8.422 -9.977 1.00 0.00 H new ATOM 1260 N TRP A 145 -1.898 9.417 -6.359 1.00 0.00 N ATOM 1261 CA TRP A 145 -1.962 8.502 -5.229 1.00 0.00 C ATOM 1262 C TRP A 145 -3.003 7.412 -5.450 1.00 0.00 C ATOM 1263 O TRP A 145 -2.836 6.283 -4.994 1.00 0.00 O ATOM 1264 CB TRP A 145 -2.251 9.285 -3.948 1.00 0.00 C ATOM 1265 CG TRP A 145 -1.013 9.873 -3.339 1.00 0.00 C ATOM 1266 CD1 TRP A 145 0.280 9.579 -3.670 1.00 0.00 C ATOM 1267 CD2 TRP A 145 -0.946 10.854 -2.298 1.00 0.00 C ATOM 1268 NE1 TRP A 145 1.144 10.315 -2.903 1.00 0.00 N ATOM 1269 CE2 TRP A 145 0.417 11.107 -2.050 1.00 0.00 C ATOM 1270 CE3 TRP A 145 -1.907 11.544 -1.551 1.00 0.00 C ATOM 1271 CZ2 TRP A 145 0.842 12.020 -1.089 1.00 0.00 C ATOM 1272 CZ3 TRP A 145 -1.483 12.450 -0.597 1.00 0.00 C ATOM 1273 CH2 TRP A 145 -0.120 12.681 -0.373 1.00 0.00 C ATOM 0 H TRP A 145 -2.071 10.393 -6.118 1.00 0.00 H new ATOM 0 HA TRP A 145 -0.996 8.006 -5.131 1.00 0.00 H new ATOM 0 HB2 TRP A 145 -2.958 10.085 -4.167 1.00 0.00 H new ATOM 0 HB3 TRP A 145 -2.730 8.626 -3.224 1.00 0.00 H new ATOM 0 HD1 TRP A 145 0.578 8.869 -4.427 1.00 0.00 H new ATOM 0 HE1 TRP A 145 2.162 10.280 -2.957 1.00 0.00 H new ATOM 0 HE3 TRP A 145 -2.960 11.372 -1.717 1.00 0.00 H new ATOM 0 HZ2 TRP A 145 1.892 12.200 -0.914 1.00 0.00 H new ATOM 0 HZ3 TRP A 145 -2.215 12.989 -0.014 1.00 0.00 H new ATOM 0 HH2 TRP A 145 0.179 13.395 0.380 1.00 0.00 H new ATOM 1284 N ARG A 146 -4.068 7.737 -6.169 1.00 0.00 N ATOM 1285 CA ARG A 146 -5.101 6.751 -6.448 1.00 0.00 C ATOM 1286 C ARG A 146 -4.553 5.696 -7.404 1.00 0.00 C ATOM 1287 O ARG A 146 -4.682 4.493 -7.161 1.00 0.00 O ATOM 1288 CB ARG A 146 -6.349 7.414 -7.043 1.00 0.00 C ATOM 1289 CG ARG A 146 -6.050 8.465 -8.102 1.00 0.00 C ATOM 1290 CD ARG A 146 -7.326 9.019 -8.714 1.00 0.00 C ATOM 1291 NE ARG A 146 -7.501 10.440 -8.420 1.00 0.00 N ATOM 1292 CZ ARG A 146 -8.661 11.084 -8.537 1.00 0.00 C ATOM 1293 NH1 ARG A 146 -9.748 10.438 -8.940 1.00 0.00 N1+ ATOM 1294 NH2 ARG A 146 -8.733 12.377 -8.252 1.00 0.00 N ATOM 0 H ARG A 146 -4.238 8.662 -6.564 1.00 0.00 H new ATOM 0 HA ARG A 146 -5.391 6.275 -5.512 1.00 0.00 H new ATOM 0 HB2 ARG A 146 -6.983 6.643 -7.481 1.00 0.00 H new ATOM 0 HB3 ARG A 146 -6.920 7.877 -6.238 1.00 0.00 H new ATOM 0 HG2 ARG A 146 -5.476 9.278 -7.657 1.00 0.00 H new ATOM 0 HG3 ARG A 146 -5.430 8.028 -8.885 1.00 0.00 H new ATOM 0 HD2 ARG A 146 -7.304 8.872 -9.794 1.00 0.00 H new ATOM 0 HD3 ARG A 146 -8.182 8.462 -8.334 1.00 0.00 H new ATOM 0 HE ARG A 146 -6.687 10.969 -8.107 1.00 0.00 H new ATOM 0 HH11 ARG A 146 -9.698 9.444 -9.162 1.00 0.00 H new ATOM 0 HH12 ARG A 146 -10.634 10.936 -9.028 1.00 0.00 H new ATOM 0 HH21 ARG A 146 -7.900 12.878 -7.943 1.00 0.00 H new ATOM 0 HH22 ARG A 146 -9.621 12.870 -8.342 1.00 0.00 H new ATOM 1308 N THR A 147 -3.913 6.162 -8.474 1.00 0.00 N ATOM 1309 CA THR A 147 -3.317 5.278 -9.463 1.00 0.00 C ATOM 1310 C THR A 147 -2.169 4.500 -8.843 1.00 0.00 C ATOM 1311 O THR A 147 -1.789 3.436 -9.333 1.00 0.00 O ATOM 1312 CB THR A 147 -2.874 6.077 -10.690 1.00 0.00 C ATOM 1313 OG1 THR A 147 -3.993 6.394 -11.501 1.00 0.00 O ATOM 1314 CG2 THR A 147 -1.881 5.343 -11.559 1.00 0.00 C ATOM 0 H THR A 147 -3.795 7.155 -8.676 1.00 0.00 H new ATOM 0 HA THR A 147 -4.061 4.555 -9.798 1.00 0.00 H new ATOM 0 HB THR A 147 -2.393 6.972 -10.296 1.00 0.00 H new ATOM 0 HG1 THR A 147 -4.289 7.308 -11.308 1.00 0.00 H new ATOM 0 HG21 THR A 147 -1.611 5.968 -12.410 1.00 0.00 H new ATOM 0 HG22 THR A 147 -0.987 5.115 -10.978 1.00 0.00 H new ATOM 0 HG23 THR A 147 -2.327 4.415 -11.917 1.00 0.00 H new ATOM 1322 N THR A 148 -1.645 5.017 -7.740 1.00 0.00 N ATOM 1323 CA THR A 148 -0.575 4.347 -7.033 1.00 0.00 C ATOM 1324 C THR A 148 -1.093 3.024 -6.466 1.00 0.00 C ATOM 1325 O THR A 148 -0.342 2.056 -6.311 1.00 0.00 O ATOM 1326 CB THR A 148 -0.039 5.248 -5.913 1.00 0.00 C ATOM 1327 OG1 THR A 148 0.634 6.370 -6.455 1.00 0.00 O ATOM 1328 CG2 THR A 148 0.920 4.555 -4.971 1.00 0.00 C ATOM 0 H THR A 148 -1.946 5.897 -7.320 1.00 0.00 H new ATOM 0 HA THR A 148 0.244 4.138 -7.721 1.00 0.00 H new ATOM 0 HB THR A 148 -0.921 5.542 -5.344 1.00 0.00 H new ATOM 0 HG1 THR A 148 0.002 6.912 -6.972 1.00 0.00 H new ATOM 0 HG21 THR A 148 1.253 5.259 -4.208 1.00 0.00 H new ATOM 0 HG22 THR A 148 0.417 3.714 -4.494 1.00 0.00 H new ATOM 0 HG23 THR A 148 1.782 4.192 -5.531 1.00 0.00 H new ATOM 1336 N ALA A 149 -2.393 2.992 -6.171 1.00 0.00 N ATOM 1337 CA ALA A 149 -3.029 1.801 -5.631 1.00 0.00 C ATOM 1338 C ALA A 149 -3.202 0.740 -6.714 1.00 0.00 C ATOM 1339 O ALA A 149 -2.807 -0.411 -6.525 1.00 0.00 O ATOM 1340 CB ALA A 149 -4.365 2.155 -4.996 1.00 0.00 C ATOM 0 H ALA A 149 -3.024 3.783 -6.299 1.00 0.00 H new ATOM 0 HA ALA A 149 -2.383 1.386 -4.858 1.00 0.00 H new ATOM 0 HB1 ALA A 149 -4.828 1.253 -4.597 1.00 0.00 H new ATOM 0 HB2 ALA A 149 -4.206 2.869 -4.188 1.00 0.00 H new ATOM 0 HB3 ALA A 149 -5.019 2.597 -5.748 1.00 0.00 H new ATOM 1346 N HIS A 150 -3.774 1.130 -7.859 1.00 0.00 N ATOM 1347 CA HIS A 150 -3.962 0.187 -8.970 1.00 0.00 C ATOM 1348 C HIS A 150 -2.677 -0.582 -9.209 1.00 0.00 C ATOM 1349 O HIS A 150 -2.677 -1.796 -9.409 1.00 0.00 O ATOM 1350 CB HIS A 150 -4.336 0.923 -10.258 1.00 0.00 C ATOM 1351 CG HIS A 150 -5.490 0.306 -10.988 1.00 0.00 C ATOM 1352 ND1 HIS A 150 -6.539 -0.319 -10.347 1.00 0.00 N ATOM 1353 CD2 HIS A 150 -5.756 0.221 -12.313 1.00 0.00 C ATOM 1354 CE1 HIS A 150 -7.400 -0.762 -11.246 1.00 0.00 C ATOM 1355 NE2 HIS A 150 -6.949 -0.448 -12.445 1.00 0.00 N ATOM 0 H HIS A 150 -4.110 2.076 -8.041 1.00 0.00 H new ATOM 0 HA HIS A 150 -4.770 -0.494 -8.701 1.00 0.00 H new ATOM 0 HB2 HIS A 150 -4.580 1.958 -10.017 1.00 0.00 H new ATOM 0 HB3 HIS A 150 -3.469 0.945 -10.919 1.00 0.00 H new ATOM 0 HD2 HIS A 150 -5.145 0.607 -13.116 1.00 0.00 H new ATOM 0 HE1 HIS A 150 -8.317 -1.291 -11.035 1.00 0.00 H new ATOM 0 HE2 HIS A 150 -7.411 -0.666 -13.328 1.00 0.00 H new ATOM 1364 N ALA A 151 -1.584 0.159 -9.181 1.00 0.00 N ATOM 1365 CA ALA A 151 -0.257 -0.409 -9.387 1.00 0.00 C ATOM 1366 C ALA A 151 -0.028 -1.603 -8.469 1.00 0.00 C ATOM 1367 O ALA A 151 0.315 -2.694 -8.923 1.00 0.00 O ATOM 1368 CB ALA A 151 0.809 0.650 -9.151 1.00 0.00 C ATOM 0 H ALA A 151 -1.587 1.166 -9.016 1.00 0.00 H new ATOM 0 HA ALA A 151 -0.189 -0.755 -10.418 1.00 0.00 H new ATOM 0 HB1 ALA A 151 1.796 0.214 -9.308 1.00 0.00 H new ATOM 0 HB2 ALA A 151 0.662 1.476 -9.847 1.00 0.00 H new ATOM 0 HB3 ALA A 151 0.734 1.020 -8.129 1.00 0.00 H new ATOM 1374 N LEU A 152 -0.222 -1.387 -7.173 1.00 0.00 N ATOM 1375 CA LEU A 152 -0.041 -2.440 -6.187 1.00 0.00 C ATOM 1376 C LEU A 152 -0.968 -3.609 -6.454 1.00 0.00 C ATOM 1377 O LEU A 152 -0.596 -4.764 -6.275 1.00 0.00 O ATOM 1378 CB LEU A 152 -0.274 -1.872 -4.798 1.00 0.00 C ATOM 1379 CG LEU A 152 0.991 -1.417 -4.083 1.00 0.00 C ATOM 1380 CD1 LEU A 152 2.022 -0.887 -5.077 1.00 0.00 C ATOM 1381 CD2 LEU A 152 0.659 -0.361 -3.043 1.00 0.00 C ATOM 0 H LEU A 152 -0.505 -0.489 -6.782 1.00 0.00 H new ATOM 0 HA LEU A 152 0.980 -2.815 -6.256 1.00 0.00 H new ATOM 0 HB2 LEU A 152 -0.957 -1.026 -4.875 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -0.769 -2.628 -4.188 1.00 0.00 H new ATOM 0 HG LEU A 152 1.425 -2.280 -3.577 1.00 0.00 H new ATOM 0 HD11 LEU A 152 2.915 -0.569 -4.540 1.00 0.00 H new ATOM 0 HD12 LEU A 152 2.285 -1.674 -5.783 1.00 0.00 H new ATOM 0 HD13 LEU A 152 1.603 -0.039 -5.618 1.00 0.00 H new ATOM 0 HD21 LEU A 152 1.573 -0.045 -2.540 1.00 0.00 H new ATOM 0 HD22 LEU A 152 0.198 0.498 -3.531 1.00 0.00 H new ATOM 0 HD23 LEU A 152 -0.033 -0.777 -2.311 1.00 0.00 H new ATOM 1393 N LYS A 153 -2.171 -3.304 -6.902 1.00 0.00 N ATOM 1394 CA LYS A 153 -3.143 -4.344 -7.225 1.00 0.00 C ATOM 1395 C LYS A 153 -2.502 -5.386 -8.144 1.00 0.00 C ATOM 1396 O LYS A 153 -2.900 -6.550 -8.161 1.00 0.00 O ATOM 1397 CB LYS A 153 -4.382 -3.743 -7.894 1.00 0.00 C ATOM 1398 CG LYS A 153 -5.039 -2.639 -7.081 1.00 0.00 C ATOM 1399 CD LYS A 153 -6.458 -2.371 -7.553 1.00 0.00 C ATOM 1400 CE LYS A 153 -7.396 -3.507 -7.176 1.00 0.00 C ATOM 1401 NZ LYS A 153 -8.348 -3.827 -8.275 1.00 0.00 N1+ ATOM 0 H LYS A 153 -2.502 -2.351 -7.052 1.00 0.00 H new ATOM 0 HA LYS A 153 -3.456 -4.825 -6.298 1.00 0.00 H new ATOM 0 HB2 LYS A 153 -4.101 -3.346 -8.869 1.00 0.00 H new ATOM 0 HB3 LYS A 153 -5.110 -4.535 -8.070 1.00 0.00 H new ATOM 0 HG2 LYS A 153 -5.051 -2.919 -6.028 1.00 0.00 H new ATOM 0 HG3 LYS A 153 -4.449 -1.726 -7.161 1.00 0.00 H new ATOM 0 HD2 LYS A 153 -6.818 -1.440 -7.115 1.00 0.00 H new ATOM 0 HD3 LYS A 153 -6.463 -2.237 -8.635 1.00 0.00 H new ATOM 0 HE2 LYS A 153 -6.812 -4.394 -6.931 1.00 0.00 H new ATOM 0 HE3 LYS A 153 -7.954 -3.235 -6.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 153 -8.970 -4.606 -7.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 153 -8.923 -2.988 -8.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 153 -7.817 -4.111 -9.123 1.00 0.00 H new ATOM 1415 N TYR A 154 -1.487 -4.949 -8.894 1.00 0.00 N ATOM 1416 CA TYR A 154 -0.760 -5.824 -9.807 1.00 0.00 C ATOM 1417 C TYR A 154 0.601 -6.199 -9.216 1.00 0.00 C ATOM 1418 O TYR A 154 1.520 -6.586 -9.939 1.00 0.00 O ATOM 1419 CB TYR A 154 -0.566 -5.137 -11.160 1.00 0.00 C ATOM 1420 CG TYR A 154 -1.846 -4.590 -11.751 1.00 0.00 C ATOM 1421 CD1 TYR A 154 -2.760 -5.427 -12.377 1.00 0.00 C ATOM 1422 CD2 TYR A 154 -2.140 -3.233 -11.683 1.00 0.00 C ATOM 1423 CE1 TYR A 154 -3.929 -4.930 -12.919 1.00 0.00 C ATOM 1424 CE2 TYR A 154 -3.307 -2.728 -12.222 1.00 0.00 C ATOM 1425 CZ TYR A 154 -4.199 -3.580 -12.838 1.00 0.00 C ATOM 1426 OH TYR A 154 -5.363 -3.081 -13.376 1.00 0.00 O ATOM 0 H TYR A 154 -1.151 -3.986 -8.884 1.00 0.00 H new ATOM 0 HA TYR A 154 -1.345 -6.732 -9.951 1.00 0.00 H new ATOM 0 HB2 TYR A 154 0.148 -4.322 -11.045 1.00 0.00 H new ATOM 0 HB3 TYR A 154 -0.128 -5.849 -11.860 1.00 0.00 H new ATOM 0 HD1 TYR A 154 -2.553 -6.485 -12.441 1.00 0.00 H new ATOM 0 HD2 TYR A 154 -1.444 -2.562 -11.201 1.00 0.00 H new ATOM 0 HE1 TYR A 154 -4.628 -5.595 -13.404 1.00 0.00 H new ATOM 0 HE2 TYR A 154 -3.520 -1.671 -12.161 1.00 0.00 H new ATOM 0 HH TYR A 154 -5.700 -2.355 -12.810 1.00 0.00 H new ATOM 1436 N SER A 155 0.714 -6.080 -7.896 1.00 0.00 N ATOM 1437 CA SER A 155 1.940 -6.402 -7.186 1.00 0.00 C ATOM 1438 C SER A 155 1.749 -7.676 -6.389 1.00 0.00 C ATOM 1439 O SER A 155 1.144 -7.669 -5.318 1.00 0.00 O ATOM 1440 CB SER A 155 2.329 -5.259 -6.249 1.00 0.00 C ATOM 1441 OG SER A 155 2.749 -4.122 -6.978 1.00 0.00 O ATOM 0 H SER A 155 -0.043 -5.758 -7.293 1.00 0.00 H new ATOM 0 HA SER A 155 2.739 -6.546 -7.913 1.00 0.00 H new ATOM 0 HB2 SER A 155 1.479 -4.997 -5.618 1.00 0.00 H new ATOM 0 HB3 SER A 155 3.130 -5.585 -5.585 1.00 0.00 H new ATOM 0 HG SER A 155 3.185 -4.408 -7.808 1.00 0.00 H new ATOM 1447 N VAL A 156 2.248 -8.771 -6.929 1.00 0.00 N ATOM 1448 CA VAL A 156 2.113 -10.058 -6.283 1.00 0.00 C ATOM 1449 C VAL A 156 3.364 -10.430 -5.489 1.00 0.00 C ATOM 1450 O VAL A 156 3.457 -11.527 -4.941 1.00 0.00 O ATOM 1451 CB VAL A 156 1.791 -11.140 -7.323 1.00 0.00 C ATOM 1452 CG1 VAL A 156 2.991 -11.404 -8.221 1.00 0.00 C ATOM 1453 CG2 VAL A 156 1.320 -12.417 -6.645 1.00 0.00 C ATOM 0 H VAL A 156 2.751 -8.793 -7.816 1.00 0.00 H new ATOM 0 HA VAL A 156 1.288 -9.989 -5.573 1.00 0.00 H new ATOM 0 HB VAL A 156 0.979 -10.776 -7.952 1.00 0.00 H new ATOM 0 HG11 VAL A 156 2.738 -12.174 -8.949 1.00 0.00 H new ATOM 0 HG12 VAL A 156 3.264 -10.487 -8.743 1.00 0.00 H new ATOM 0 HG13 VAL A 156 3.832 -11.740 -7.615 1.00 0.00 H new ATOM 0 HG21 VAL A 156 1.098 -13.170 -7.401 1.00 0.00 H new ATOM 0 HG22 VAL A 156 2.103 -12.788 -5.983 1.00 0.00 H new ATOM 0 HG23 VAL A 156 0.421 -12.210 -6.064 1.00 0.00 H new ATOM 1463 N VAL A 157 4.315 -9.500 -5.411 1.00 0.00 N ATOM 1464 CA VAL A 157 5.540 -9.732 -4.660 1.00 0.00 C ATOM 1465 C VAL A 157 5.226 -9.794 -3.171 1.00 0.00 C ATOM 1466 O VAL A 157 5.723 -10.659 -2.451 1.00 0.00 O ATOM 1467 CB VAL A 157 6.582 -8.626 -4.918 1.00 0.00 C ATOM 1468 CG1 VAL A 157 7.873 -8.917 -4.168 1.00 0.00 C ATOM 1469 CG2 VAL A 157 6.843 -8.481 -6.409 1.00 0.00 C ATOM 0 H VAL A 157 4.258 -8.585 -5.857 1.00 0.00 H new ATOM 0 HA VAL A 157 5.962 -10.680 -4.994 1.00 0.00 H new ATOM 0 HB VAL A 157 6.183 -7.682 -4.547 1.00 0.00 H new ATOM 0 HG11 VAL A 157 8.594 -8.124 -4.364 1.00 0.00 H new ATOM 0 HG12 VAL A 157 7.669 -8.966 -3.098 1.00 0.00 H new ATOM 0 HG13 VAL A 157 8.282 -9.870 -4.503 1.00 0.00 H new ATOM 0 HG21 VAL A 157 7.581 -7.696 -6.575 1.00 0.00 H new ATOM 0 HG22 VAL A 157 7.220 -9.423 -6.806 1.00 0.00 H new ATOM 0 HG23 VAL A 157 5.915 -8.219 -6.917 1.00 0.00 H new ATOM 1479 N LEU A 158 4.371 -8.877 -2.727 1.00 0.00 N ATOM 1480 CA LEU A 158 3.951 -8.824 -1.335 1.00 0.00 C ATOM 1481 C LEU A 158 2.514 -9.323 -1.241 1.00 0.00 C ATOM 1482 O LEU A 158 1.858 -9.521 -2.264 1.00 0.00 O ATOM 1483 CB LEU A 158 4.029 -7.390 -0.785 1.00 0.00 C ATOM 1484 CG LEU A 158 5.410 -6.713 -0.805 1.00 0.00 C ATOM 1485 CD1 LEU A 158 6.267 -7.170 0.367 1.00 0.00 C ATOM 1486 CD2 LEU A 158 6.128 -6.959 -2.121 1.00 0.00 C ATOM 0 H LEU A 158 3.955 -8.157 -3.318 1.00 0.00 H new ATOM 0 HA LEU A 158 4.617 -9.451 -0.742 1.00 0.00 H new ATOM 0 HB2 LEU A 158 3.338 -6.769 -1.356 1.00 0.00 H new ATOM 0 HB3 LEU A 158 3.671 -7.401 0.245 1.00 0.00 H new ATOM 0 HG LEU A 158 5.246 -5.640 -0.706 1.00 0.00 H new ATOM 0 HD11 LEU A 158 7.236 -6.674 0.324 1.00 0.00 H new ATOM 0 HD12 LEU A 158 5.770 -6.915 1.303 1.00 0.00 H new ATOM 0 HD13 LEU A 158 6.410 -8.249 0.314 1.00 0.00 H new ATOM 0 HD21 LEU A 158 7.101 -6.467 -2.102 1.00 0.00 H new ATOM 0 HD22 LEU A 158 6.266 -8.031 -2.265 1.00 0.00 H new ATOM 0 HD23 LEU A 158 5.533 -6.556 -2.941 1.00 0.00 H new ATOM 1498 N GLU A 159 2.014 -9.511 -0.029 1.00 0.00 N ATOM 1499 CA GLU A 159 0.642 -9.966 0.144 1.00 0.00 C ATOM 1500 C GLU A 159 -0.264 -8.769 0.420 1.00 0.00 C ATOM 1501 O GLU A 159 -0.183 -8.149 1.471 1.00 0.00 O ATOM 1502 CB GLU A 159 0.556 -11.000 1.277 1.00 0.00 C ATOM 1503 CG GLU A 159 -0.824 -11.123 1.905 1.00 0.00 C ATOM 1504 CD GLU A 159 -1.884 -11.544 0.907 1.00 0.00 C ATOM 1505 OE1 GLU A 159 -1.909 -10.979 -0.206 1.00 0.00 O ATOM 1506 OE2 GLU A 159 -2.689 -12.440 1.239 1.00 0.00 O1- ATOM 0 H GLU A 159 2.529 -9.358 0.838 1.00 0.00 H new ATOM 0 HA GLU A 159 0.306 -10.452 -0.772 1.00 0.00 H new ATOM 0 HB2 GLU A 159 0.854 -11.974 0.889 1.00 0.00 H new ATOM 0 HB3 GLU A 159 1.274 -10.733 2.053 1.00 0.00 H new ATOM 0 HG2 GLU A 159 -0.786 -11.849 2.717 1.00 0.00 H new ATOM 0 HG3 GLU A 159 -1.105 -10.167 2.346 1.00 0.00 H new ATOM 1513 N LEU A 160 -1.115 -8.452 -0.544 1.00 0.00 N ATOM 1514 CA LEU A 160 -2.036 -7.325 -0.436 1.00 0.00 C ATOM 1515 C LEU A 160 -3.394 -7.789 0.080 1.00 0.00 C ATOM 1516 O LEU A 160 -3.769 -8.941 -0.142 1.00 0.00 O ATOM 1517 CB LEU A 160 -2.233 -6.712 -1.828 1.00 0.00 C ATOM 1518 CG LEU A 160 -1.227 -5.653 -2.275 1.00 0.00 C ATOM 1519 CD1 LEU A 160 -1.871 -4.272 -2.307 1.00 0.00 C ATOM 1520 CD2 LEU A 160 0.013 -5.677 -1.394 1.00 0.00 C ATOM 0 H LEU A 160 -1.189 -8.966 -1.422 1.00 0.00 H new ATOM 0 HA LEU A 160 -1.618 -6.595 0.257 1.00 0.00 H new ATOM 0 HB2 LEU A 160 -2.218 -7.521 -2.558 1.00 0.00 H new ATOM 0 HB3 LEU A 160 -3.228 -6.269 -1.864 1.00 0.00 H new ATOM 0 HG LEU A 160 -0.909 -5.888 -3.291 1.00 0.00 H new ATOM 0 HD11 LEU A 160 -1.135 -3.535 -2.628 1.00 0.00 H new ATOM 0 HD12 LEU A 160 -2.708 -4.277 -3.005 1.00 0.00 H new ATOM 0 HD13 LEU A 160 -2.231 -4.015 -1.311 1.00 0.00 H new ATOM 0 HD21 LEU A 160 0.714 -4.914 -1.732 1.00 0.00 H new ATOM 0 HD22 LEU A 160 -0.271 -5.477 -0.361 1.00 0.00 H new ATOM 0 HD23 LEU A 160 0.485 -6.657 -1.457 1.00 0.00 H new ATOM 1532 N ASN A 161 -4.176 -6.898 0.710 1.00 0.00 N ATOM 1533 CA ASN A 161 -5.511 -7.317 1.139 1.00 0.00 C ATOM 1534 C ASN A 161 -6.282 -7.552 -0.124 1.00 0.00 C ATOM 1535 O ASN A 161 -5.928 -6.930 -1.123 1.00 0.00 O ATOM 1536 CB ASN A 161 -6.228 -6.266 1.988 1.00 0.00 C ATOM 1537 CG ASN A 161 -7.696 -6.588 2.197 1.00 0.00 C ATOM 1538 OD1 ASN A 161 -8.058 -7.727 2.494 1.00 0.00 O ATOM 1539 ND2 ASN A 161 -8.550 -5.583 2.043 1.00 0.00 N ATOM 0 H ASN A 161 -3.922 -5.933 0.923 1.00 0.00 H new ATOM 0 HA ASN A 161 -5.434 -8.203 1.769 1.00 0.00 H new ATOM 0 HB2 ASN A 161 -5.735 -6.189 2.957 1.00 0.00 H new ATOM 0 HB3 ASN A 161 -6.138 -5.292 1.506 1.00 0.00 H new ATOM 0 HD21 ASN A 161 -9.550 -5.739 2.171 1.00 0.00 H new ATOM 0 HD22 ASN A 161 -8.206 -4.655 1.797 1.00 0.00 H new ATOM 1546 N GLU A 162 -7.301 -8.428 -0.033 1.00 0.00 N ATOM 1547 CA GLU A 162 -8.161 -8.884 -1.147 1.00 0.00 C ATOM 1548 C GLU A 162 -8.484 -7.849 -2.214 1.00 0.00 C ATOM 1549 O GLU A 162 -8.270 -8.113 -3.398 1.00 0.00 O ATOM 1550 CB GLU A 162 -9.467 -9.439 -0.580 1.00 0.00 C ATOM 1551 CG GLU A 162 -10.318 -8.395 0.125 1.00 0.00 C ATOM 1552 CD GLU A 162 -11.415 -9.013 0.971 1.00 0.00 C ATOM 1553 OE1 GLU A 162 -12.280 -9.711 0.402 1.00 0.00 O ATOM 1554 OE2 GLU A 162 -11.408 -8.797 2.201 1.00 0.00 O1- ATOM 0 H GLU A 162 -7.560 -8.857 0.856 1.00 0.00 H new ATOM 0 HA GLU A 162 -7.571 -9.644 -1.660 1.00 0.00 H new ATOM 0 HB2 GLU A 162 -10.047 -9.880 -1.391 1.00 0.00 H new ATOM 0 HB3 GLU A 162 -9.237 -10.241 0.121 1.00 0.00 H new ATOM 0 HG2 GLU A 162 -9.680 -7.778 0.758 1.00 0.00 H new ATOM 0 HG3 GLU A 162 -10.765 -7.734 -0.617 1.00 0.00 H new ATOM 1561 N ASP A 163 -8.961 -6.685 -1.837 1.00 0.00 N ATOM 1562 CA ASP A 163 -9.251 -5.663 -2.832 1.00 0.00 C ATOM 1563 C ASP A 163 -7.966 -4.917 -3.105 1.00 0.00 C ATOM 1564 O ASP A 163 -7.961 -3.737 -3.457 1.00 0.00 O ATOM 1565 CB ASP A 163 -10.334 -4.709 -2.330 1.00 0.00 C ATOM 1566 CG ASP A 163 -10.723 -3.672 -3.368 1.00 0.00 C ATOM 1567 OD1 ASP A 163 -10.208 -3.745 -4.504 1.00 0.00 O ATOM 1568 OD2 ASP A 163 -11.545 -2.789 -3.046 1.00 0.00 O1- ATOM 0 H ASP A 163 -9.155 -6.420 -0.871 1.00 0.00 H new ATOM 0 HA ASP A 163 -9.626 -6.121 -3.747 1.00 0.00 H new ATOM 0 HB2 ASP A 163 -11.216 -5.283 -2.047 1.00 0.00 H new ATOM 0 HB3 ASP A 163 -9.980 -4.204 -1.431 1.00 0.00 H new ATOM 1573 N HIS A 164 -6.866 -5.629 -2.866 1.00 0.00 N ATOM 1574 CA HIS A 164 -5.538 -5.093 -2.991 1.00 0.00 C ATOM 1575 C HIS A 164 -5.480 -3.734 -2.346 1.00 0.00 C ATOM 1576 O HIS A 164 -4.688 -2.867 -2.716 1.00 0.00 O ATOM 1577 CB HIS A 164 -5.068 -5.101 -4.435 1.00 0.00 C ATOM 1578 CG HIS A 164 -5.008 -6.498 -4.966 1.00 0.00 C ATOM 1579 ND1 HIS A 164 -4.851 -6.807 -6.300 1.00 0.00 N ATOM 1580 CD2 HIS A 164 -5.091 -7.684 -4.311 1.00 0.00 C ATOM 1581 CE1 HIS A 164 -4.840 -8.121 -6.445 1.00 0.00 C ATOM 1582 NE2 HIS A 164 -4.983 -8.676 -5.254 1.00 0.00 N ATOM 0 H HIS A 164 -6.887 -6.607 -2.577 1.00 0.00 H new ATOM 0 HA HIS A 164 -4.835 -5.734 -2.459 1.00 0.00 H new ATOM 0 HB2 HIS A 164 -5.745 -4.504 -5.046 1.00 0.00 H new ATOM 0 HB3 HIS A 164 -4.084 -4.638 -4.504 1.00 0.00 H new ATOM 0 HD2 HIS A 164 -5.218 -7.822 -3.247 1.00 0.00 H new ATOM 0 HE1 HIS A 164 -4.732 -8.652 -7.379 1.00 0.00 H new ATOM 0 HE2 HIS A 164 -5.009 -9.678 -5.066 1.00 0.00 H new ATOM 1591 N ARG A 165 -6.328 -3.589 -1.333 1.00 0.00 N ATOM 1592 CA ARG A 165 -6.400 -2.385 -0.566 1.00 0.00 C ATOM 1593 C ARG A 165 -5.364 -2.428 0.517 1.00 0.00 C ATOM 1594 O ARG A 165 -5.047 -1.391 1.101 1.00 0.00 O ATOM 1595 CB ARG A 165 -7.779 -2.210 0.060 1.00 0.00 C ATOM 1596 CG ARG A 165 -8.879 -1.918 -0.940 1.00 0.00 C ATOM 1597 CD ARG A 165 -10.245 -2.065 -0.296 1.00 0.00 C ATOM 1598 NE ARG A 165 -10.894 -0.774 -0.082 1.00 0.00 N ATOM 1599 CZ ARG A 165 -11.298 0.025 -1.067 1.00 0.00 C ATOM 1600 NH1 ARG A 165 -11.119 -0.329 -2.333 1.00 0.00 N1+ ATOM 1601 NH2 ARG A 165 -11.881 1.182 -0.783 1.00 0.00 N ATOM 0 H ARG A 165 -6.979 -4.314 -1.033 1.00 0.00 H new ATOM 0 HA ARG A 165 -6.218 -1.541 -1.231 1.00 0.00 H new ATOM 0 HB2 ARG A 165 -8.034 -3.116 0.611 1.00 0.00 H new ATOM 0 HB3 ARG A 165 -7.737 -1.397 0.785 1.00 0.00 H new ATOM 0 HG2 ARG A 165 -8.763 -0.907 -1.330 1.00 0.00 H new ATOM 0 HG3 ARG A 165 -8.796 -2.598 -1.788 1.00 0.00 H new ATOM 0 HD2 ARG A 165 -10.878 -2.688 -0.928 1.00 0.00 H new ATOM 0 HD3 ARG A 165 -10.142 -2.581 0.659 1.00 0.00 H new ATOM 0 HE ARG A 165 -11.047 -0.467 0.879 1.00 0.00 H new ATOM 0 HH11 ARG A 165 -10.670 -1.217 -2.556 1.00 0.00 H new ATOM 0 HH12 ARG A 165 -11.431 0.287 -3.084 1.00 0.00 H new ATOM 0 HH21 ARG A 165 -12.019 1.458 0.189 1.00 0.00 H new ATOM 0 HH22 ARG A 165 -12.191 1.795 -1.537 1.00 0.00 H new ATOM 1615 N LYS A 166 -4.813 -3.616 0.810 1.00 0.00 N ATOM 1616 CA LYS A 166 -3.795 -3.634 1.871 1.00 0.00 C ATOM 1617 C LYS A 166 -2.522 -4.327 1.444 1.00 0.00 C ATOM 1618 O LYS A 166 -2.409 -4.807 0.322 1.00 0.00 O ATOM 1619 CB LYS A 166 -4.329 -4.240 3.168 1.00 0.00 C ATOM 1620 CG LYS A 166 -5.162 -3.267 3.990 1.00 0.00 C ATOM 1621 CD LYS A 166 -6.474 -3.885 4.449 1.00 0.00 C ATOM 1622 CE LYS A 166 -6.389 -4.378 5.885 1.00 0.00 C ATOM 1623 NZ LYS A 166 -7.557 -3.934 6.694 1.00 0.00 N1+ ATOM 0 H LYS A 166 -5.031 -4.510 0.369 1.00 0.00 H new ATOM 0 HA LYS A 166 -3.548 -2.590 2.063 1.00 0.00 H new ATOM 0 HB2 LYS A 166 -4.935 -5.114 2.930 1.00 0.00 H new ATOM 0 HB3 LYS A 166 -3.490 -4.588 3.771 1.00 0.00 H new ATOM 0 HG2 LYS A 166 -4.589 -2.945 4.860 1.00 0.00 H new ATOM 0 HG3 LYS A 166 -5.369 -2.376 3.397 1.00 0.00 H new ATOM 0 HD2 LYS A 166 -7.273 -3.149 4.363 1.00 0.00 H new ATOM 0 HD3 LYS A 166 -6.734 -4.716 3.793 1.00 0.00 H new ATOM 0 HE2 LYS A 166 -6.335 -5.467 5.893 1.00 0.00 H new ATOM 0 HE3 LYS A 166 -5.470 -4.010 6.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 166 -7.461 -4.290 7.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 166 -7.595 -2.895 6.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 166 -8.432 -4.306 6.273 1.00 0.00 H new ATOM 1637 N VAL A 167 -1.563 -4.359 2.358 1.00 0.00 N ATOM 1638 CA VAL A 167 -0.284 -4.984 2.099 1.00 0.00 C ATOM 1639 C VAL A 167 0.276 -5.597 3.373 1.00 0.00 C ATOM 1640 O VAL A 167 0.953 -4.946 4.165 1.00 0.00 O ATOM 1641 CB VAL A 167 0.716 -3.994 1.459 1.00 0.00 C ATOM 1642 CG1 VAL A 167 0.652 -2.624 2.128 1.00 0.00 C ATOM 1643 CG2 VAL A 167 2.139 -4.536 1.483 1.00 0.00 C ATOM 0 H VAL A 167 -1.652 -3.955 3.290 1.00 0.00 H new ATOM 0 HA VAL A 167 -0.441 -5.785 1.377 1.00 0.00 H new ATOM 0 HB VAL A 167 0.421 -3.876 0.416 1.00 0.00 H new ATOM 0 HG11 VAL A 167 1.368 -1.953 1.653 1.00 0.00 H new ATOM 0 HG12 VAL A 167 -0.353 -2.215 2.024 1.00 0.00 H new ATOM 0 HG13 VAL A 167 0.895 -2.724 3.186 1.00 0.00 H new ATOM 0 HG21 VAL A 167 2.812 -3.812 1.024 1.00 0.00 H new ATOM 0 HG22 VAL A 167 2.444 -4.712 2.515 1.00 0.00 H new ATOM 0 HG23 VAL A 167 2.181 -5.473 0.927 1.00 0.00 H new ATOM 1653 N ARG A 168 -0.034 -6.869 3.548 1.00 0.00 N ATOM 1654 CA ARG A 168 0.411 -7.629 4.711 1.00 0.00 C ATOM 1655 C ARG A 168 1.496 -8.625 4.310 1.00 0.00 C ATOM 1656 O ARG A 168 1.612 -8.984 3.140 1.00 0.00 O ATOM 1657 CB ARG A 168 -0.772 -8.376 5.331 1.00 0.00 C ATOM 1658 CG ARG A 168 -0.493 -8.927 6.721 1.00 0.00 C ATOM 1659 CD ARG A 168 -1.514 -9.982 7.116 1.00 0.00 C ATOM 1660 NE ARG A 168 -1.384 -11.197 6.315 1.00 0.00 N ATOM 1661 CZ ARG A 168 -1.885 -12.377 6.671 1.00 0.00 C ATOM 1662 NH1 ARG A 168 -2.552 -12.507 7.812 1.00 0.00 N1+ ATOM 1663 NH2 ARG A 168 -1.720 -13.432 5.885 1.00 0.00 N ATOM 0 H ARG A 168 -0.600 -7.407 2.892 1.00 0.00 H new ATOM 0 HA ARG A 168 0.822 -6.935 5.444 1.00 0.00 H new ATOM 0 HB2 ARG A 168 -1.627 -7.702 5.383 1.00 0.00 H new ATOM 0 HB3 ARG A 168 -1.054 -9.199 4.674 1.00 0.00 H new ATOM 0 HG2 ARG A 168 0.507 -9.359 6.749 1.00 0.00 H new ATOM 0 HG3 ARG A 168 -0.509 -8.114 7.446 1.00 0.00 H new ATOM 0 HD2 ARG A 168 -1.391 -10.228 8.171 1.00 0.00 H new ATOM 0 HD3 ARG A 168 -2.519 -9.576 6.998 1.00 0.00 H new ATOM 0 HE ARG A 168 -0.879 -11.137 5.431 1.00 0.00 H new ATOM 0 HH11 ARG A 168 -2.683 -11.699 8.421 1.00 0.00 H new ATOM 0 HH12 ARG A 168 -2.934 -13.414 8.079 1.00 0.00 H new ATOM 0 HH21 ARG A 168 -1.209 -13.339 5.007 1.00 0.00 H new ATOM 0 HH22 ARG A 168 -2.104 -14.337 6.158 1.00 0.00 H new ATOM 1677 N ARG A 169 2.285 -9.074 5.280 1.00 0.00 N ATOM 1678 CA ARG A 169 3.347 -10.038 5.010 1.00 0.00 C ATOM 1679 C ARG A 169 2.962 -11.419 5.530 1.00 0.00 C ATOM 1680 O ARG A 169 2.607 -11.577 6.698 1.00 0.00 O ATOM 1681 CB ARG A 169 4.664 -9.587 5.647 1.00 0.00 C ATOM 1682 CG ARG A 169 5.696 -9.119 4.634 1.00 0.00 C ATOM 1683 CD ARG A 169 7.106 -9.201 5.197 1.00 0.00 C ATOM 1684 NE ARG A 169 7.689 -10.528 5.018 1.00 0.00 N ATOM 1685 CZ ARG A 169 8.212 -10.961 3.872 1.00 0.00 C ATOM 1686 NH1 ARG A 169 8.225 -10.175 2.803 1.00 0.00 N1+ ATOM 1687 NH2 ARG A 169 8.723 -12.182 3.796 1.00 0.00 N ATOM 0 H ARG A 169 2.211 -8.788 6.256 1.00 0.00 H new ATOM 0 HA ARG A 169 3.484 -10.095 3.930 1.00 0.00 H new ATOM 0 HB2 ARG A 169 4.461 -8.778 6.348 1.00 0.00 H new ATOM 0 HB3 ARG A 169 5.081 -10.412 6.224 1.00 0.00 H new ATOM 0 HG2 ARG A 169 5.626 -9.729 3.734 1.00 0.00 H new ATOM 0 HG3 ARG A 169 5.479 -8.092 4.340 1.00 0.00 H new ATOM 0 HD2 ARG A 169 7.736 -8.459 4.707 1.00 0.00 H new ATOM 0 HD3 ARG A 169 7.088 -8.953 6.258 1.00 0.00 H new ATOM 0 HE ARG A 169 7.696 -11.161 5.818 1.00 0.00 H new ATOM 0 HH11 ARG A 169 7.833 -9.235 2.857 1.00 0.00 H new ATOM 0 HH12 ARG A 169 8.627 -10.511 1.928 1.00 0.00 H new ATOM 0 HH21 ARG A 169 8.716 -12.790 4.615 1.00 0.00 H new ATOM 0 HH22 ARG A 169 9.123 -12.514 2.918 1.00 0.00 H new ATOM 1701 N THR A 170 3.033 -12.416 4.655 1.00 0.00 N ATOM 1702 CA THR A 170 2.690 -13.784 5.028 1.00 0.00 C ATOM 1703 C THR A 170 3.645 -14.319 6.092 1.00 0.00 C ATOM 1704 O THR A 170 3.326 -15.275 6.800 1.00 0.00 O ATOM 1705 CB THR A 170 2.722 -14.692 3.796 1.00 0.00 C ATOM 1706 OG1 THR A 170 4.037 -14.785 3.277 1.00 0.00 O ATOM 1707 CG2 THR A 170 1.820 -14.217 2.679 1.00 0.00 C ATOM 0 H THR A 170 3.324 -12.303 3.684 1.00 0.00 H new ATOM 0 HA THR A 170 1.682 -13.777 5.443 1.00 0.00 H new ATOM 0 HB THR A 170 2.364 -15.662 4.142 1.00 0.00 H new ATOM 0 HG1 THR A 170 4.038 -15.371 2.491 1.00 0.00 H new ATOM 0 HG21 THR A 170 1.890 -14.905 1.837 1.00 0.00 H new ATOM 0 HG22 THR A 170 0.790 -14.181 3.033 1.00 0.00 H new ATOM 0 HG23 THR A 170 2.129 -13.221 2.361 1.00 0.00 H new ATOM 1715 N THR A 171 4.819 -13.703 6.199 1.00 0.00 N ATOM 1716 CA THR A 171 5.817 -14.125 7.175 1.00 0.00 C ATOM 1717 C THR A 171 6.797 -12.994 7.479 1.00 0.00 C ATOM 1718 O THR A 171 7.940 -13.013 7.021 1.00 0.00 O ATOM 1719 CB THR A 171 6.578 -15.341 6.651 1.00 0.00 C ATOM 1720 OG1 THR A 171 7.557 -15.763 7.584 1.00 0.00 O ATOM 1721 CG2 THR A 171 7.278 -15.075 5.337 1.00 0.00 C ATOM 0 H THR A 171 5.102 -12.911 5.622 1.00 0.00 H new ATOM 0 HA THR A 171 5.300 -14.390 8.097 1.00 0.00 H new ATOM 0 HB THR A 171 5.826 -16.115 6.499 1.00 0.00 H new ATOM 0 HG1 THR A 171 8.032 -16.544 7.230 1.00 0.00 H new ATOM 0 HG21 THR A 171 7.801 -15.975 5.015 1.00 0.00 H new ATOM 0 HG22 THR A 171 6.543 -14.794 4.583 1.00 0.00 H new ATOM 0 HG23 THR A 171 7.995 -14.264 5.464 1.00 0.00 H new ATOM 1729 N PRO A 172 6.363 -11.989 8.256 1.00 0.00 N ATOM 1730 CA PRO A 172 7.211 -10.850 8.615 1.00 0.00 C ATOM 1731 C PRO A 172 8.523 -11.287 9.252 1.00 0.00 C ATOM 1732 O PRO A 172 8.578 -12.287 9.966 1.00 0.00 O ATOM 1733 CB PRO A 172 6.363 -10.071 9.623 1.00 0.00 C ATOM 1734 CG PRO A 172 4.957 -10.460 9.320 1.00 0.00 C ATOM 1735 CD PRO A 172 5.016 -11.884 8.843 1.00 0.00 C ATOM 0 HA PRO A 172 7.496 -10.266 7.740 1.00 0.00 H new ATOM 0 HB2 PRO A 172 6.632 -10.327 10.648 1.00 0.00 H new ATOM 0 HB3 PRO A 172 6.508 -8.996 9.515 1.00 0.00 H new ATOM 0 HG2 PRO A 172 4.328 -10.371 10.206 1.00 0.00 H new ATOM 0 HG3 PRO A 172 4.528 -9.810 8.557 1.00 0.00 H new ATOM 0 HD2 PRO A 172 4.878 -12.589 9.663 1.00 0.00 H new ATOM 0 HD3 PRO A 172 4.239 -12.095 8.108 1.00 0.00 H new