USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 583 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 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 84 GLN : amide:sc= -0.0546 X(o=-5.3,f=-5.3) USER MOD Set 1.3: A 123 ASN : amide:sc= -5.26! C(o=-5.3!,f=-7.5!) USER MOD Single : A 87 ASN : amide:sc= -0.706 K(o=-0.71,f=-1.4) USER MOD Single : A 91 HIS : no HE2:sc= -0.185 X(o=-0.18,f=-0.045) USER MOD Single : A 93 GLN : amide:sc= -0.947 K(o=-0.95,f=-5.1!) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -2.35 K(o=-2.3,f=-3.6) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 110 CYS SG : rot -109:sc= 0.257 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 114 ASN : amide:sc= -0.55 K(o=-0.55,f=-1.5) USER MOD Single : A 115 THR OG1 : rot -45:sc= 0.516 USER MOD Single : A 117 SER OG : rot 180:sc=-0.000915 USER MOD Single : A 119 THR OG1 : rot -130:sc= 0 USER MOD Single : A 125 THR OG1 : rot 78:sc= 0.00372 USER MOD Single : A 126 TYR OH : rot -24:sc= 1.23 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 129 LYS NZ :NH3+ -117:sc= -0.4 (180deg=-2.36) USER MOD Single : A 131 GLN : amide:sc= -6.64! C(o=-6.6!,f=-8.3!) USER MOD Single : A 134 GLN : amide:sc=-0.00627 K(o=-0.0063,f=-1.3) USER MOD Single : A 138 LYS NZ :NH3+ 138:sc= -0.28 (180deg=-1.68!) USER MOD Single : A 140 ASN : amide:sc= -1.05 K(o=-1,f=-3.2!) USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 146 ASN : amide:sc= -0.212 X(o=-0.21,f=-0.21) USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 TYR OH : rot 180:sc= -0.0232 USER MOD ----------------------------------------------------------------- ATOM 237 N LYS A 82 9.671 -0.732 -3.442 1.00 0.00 N ATOM 238 CA LYS A 82 8.780 -0.826 -2.292 1.00 0.00 C ATOM 239 C LYS A 82 7.458 -0.117 -2.569 1.00 0.00 C ATOM 240 O LYS A 82 7.241 0.409 -3.661 1.00 0.00 O ATOM 241 CB LYS A 82 9.446 -0.222 -1.054 1.00 0.00 C ATOM 242 CG LYS A 82 10.243 -1.226 -0.241 1.00 0.00 C ATOM 243 CD LYS A 82 11.030 -0.547 0.868 1.00 0.00 C ATOM 244 CE LYS A 82 10.122 0.266 1.778 1.00 0.00 C ATOM 245 NZ LYS A 82 10.716 0.454 3.130 1.00 0.00 N ATOM 0 HA LYS A 82 8.575 -1.881 -2.108 1.00 0.00 H new ATOM 0 HB2 LYS A 82 10.107 0.587 -1.366 1.00 0.00 H new ATOM 0 HB3 LYS A 82 8.679 0.220 -0.418 1.00 0.00 H new ATOM 0 HG2 LYS A 82 9.567 -1.964 0.191 1.00 0.00 H new ATOM 0 HG3 LYS A 82 10.927 -1.765 -0.896 1.00 0.00 H new ATOM 0 HD2 LYS A 82 11.556 -1.299 1.455 1.00 0.00 H new ATOM 0 HD3 LYS A 82 11.787 0.104 0.432 1.00 0.00 H new ATOM 0 HE2 LYS A 82 9.933 1.240 1.326 1.00 0.00 H new ATOM 0 HE3 LYS A 82 9.158 -0.235 1.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.067 1.013 3.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 10.873 -0.474 3.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 11.623 0.955 3.044 1.00 0.00 H new ATOM 259 N LEU A 83 6.579 -0.104 -1.573 1.00 0.00 N ATOM 260 CA LEU A 83 5.279 0.542 -1.709 1.00 0.00 C ATOM 261 C LEU A 83 4.979 1.422 -0.499 1.00 0.00 C ATOM 262 O LEU A 83 5.188 1.014 0.643 1.00 0.00 O ATOM 263 CB LEU A 83 4.179 -0.509 -1.874 1.00 0.00 C ATOM 264 CG LEU A 83 4.146 -1.240 -3.216 1.00 0.00 C ATOM 265 CD1 LEU A 83 3.350 -2.530 -3.102 1.00 0.00 C ATOM 266 CD2 LEU A 83 3.561 -0.344 -4.298 1.00 0.00 C ATOM 0 H LEU A 83 6.743 -0.534 -0.663 1.00 0.00 H new ATOM 0 HA LEU A 83 5.306 1.173 -2.597 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.290 -1.250 -1.082 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.215 -0.024 -1.723 1.00 0.00 H new ATOM 0 HG LEU A 83 5.169 -1.492 -3.495 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.338 -3.036 -4.067 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.813 -3.178 -2.358 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.328 -2.301 -2.799 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.546 -0.881 -5.246 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.545 -0.060 -4.025 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.173 0.552 -4.399 1.00 0.00 H new ATOM 278 N GLN A 84 4.487 2.629 -0.759 1.00 0.00 N ATOM 279 CA GLN A 84 4.157 3.565 0.309 1.00 0.00 C ATOM 280 C GLN A 84 2.647 3.676 0.489 1.00 0.00 C ATOM 281 O GLN A 84 1.907 3.838 -0.482 1.00 0.00 O ATOM 282 CB GLN A 84 4.750 4.943 0.009 1.00 0.00 C ATOM 283 CG GLN A 84 4.129 6.063 0.828 1.00 0.00 C ATOM 284 CD GLN A 84 5.080 7.225 1.043 1.00 0.00 C ATOM 285 OE1 GLN A 84 4.842 8.334 0.563 1.00 0.00 O ATOM 286 NE2 GLN A 84 6.165 6.976 1.767 1.00 0.00 N ATOM 0 H GLN A 84 4.308 2.981 -1.699 1.00 0.00 H new ATOM 0 HA GLN A 84 4.587 3.186 1.236 1.00 0.00 H new ATOM 0 HB2 GLN A 84 5.823 4.917 0.199 1.00 0.00 H new ATOM 0 HB3 GLN A 84 4.619 5.163 -1.051 1.00 0.00 H new ATOM 0 HG2 GLN A 84 3.231 6.422 0.324 1.00 0.00 H new ATOM 0 HG3 GLN A 84 3.816 5.670 1.796 1.00 0.00 H new ATOM 0 HE21 GLN A 84 6.322 6.042 2.145 1.00 0.00 H new ATOM 0 HE22 GLN A 84 6.841 7.719 1.945 1.00 0.00 H new ATOM 295 N ILE A 85 2.196 3.587 1.735 1.00 0.00 N ATOM 296 CA ILE A 85 0.774 3.679 2.041 1.00 0.00 C ATOM 297 C ILE A 85 0.480 4.877 2.938 1.00 0.00 C ATOM 298 O ILE A 85 1.142 5.080 3.956 1.00 0.00 O ATOM 299 CB ILE A 85 0.263 2.399 2.730 1.00 0.00 C ATOM 300 CG1 ILE A 85 0.630 1.166 1.901 1.00 0.00 C ATOM 301 CG2 ILE A 85 -1.242 2.475 2.939 1.00 0.00 C ATOM 302 CD1 ILE A 85 0.043 -0.120 2.439 1.00 0.00 C ATOM 0 H ILE A 85 2.795 3.451 2.549 1.00 0.00 H new ATOM 0 HA ILE A 85 0.255 3.804 1.091 1.00 0.00 H new ATOM 0 HB ILE A 85 0.742 2.313 3.705 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.287 1.312 0.877 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.715 1.073 1.864 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.588 1.564 3.427 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -1.479 3.335 3.566 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -1.738 2.581 1.974 1.00 0.00 H new ATOM 0 HD11 ILE A 85 0.344 -0.952 1.802 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.406 -0.289 3.453 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.044 -0.047 2.450 1.00 0.00 H new ATOM 314 N ARG A 86 -0.518 5.666 2.553 1.00 0.00 N ATOM 315 CA ARG A 86 -0.900 6.844 3.323 1.00 0.00 C ATOM 316 C ARG A 86 -2.412 6.896 3.522 1.00 0.00 C ATOM 317 O ARG A 86 -3.133 5.987 3.114 1.00 0.00 O ATOM 318 CB ARG A 86 -0.424 8.116 2.619 1.00 0.00 C ATOM 319 CG ARG A 86 1.045 8.082 2.228 1.00 0.00 C ATOM 320 CD ARG A 86 1.323 8.975 1.029 1.00 0.00 C ATOM 321 NE ARG A 86 1.106 8.277 -0.236 1.00 0.00 N ATOM 322 CZ ARG A 86 1.224 8.857 -1.425 1.00 0.00 C ATOM 323 NH1 ARG A 86 1.555 10.138 -1.512 1.00 0.00 N ATOM 324 NH2 ARG A 86 1.010 8.155 -2.531 1.00 0.00 N ATOM 0 H ARG A 86 -1.076 5.511 1.713 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.424 6.778 4.301 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.026 8.273 1.724 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.597 8.970 3.274 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.655 8.404 3.072 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.337 7.058 1.996 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.678 9.853 1.074 1.00 0.00 H new ATOM 0 HD3 ARG A 86 2.352 9.332 1.074 1.00 0.00 H new ATOM 0 HE ARG A 86 0.850 7.290 -0.204 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.720 10.681 -0.664 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.645 10.581 -2.427 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.755 7.169 -2.468 1.00 0.00 H new ATOM 0 HH22 ARG A 86 1.101 8.601 -3.444 1.00 0.00 H new ATOM 338 N ASN A 87 -2.884 7.966 4.153 1.00 0.00 N ATOM 339 CA ASN A 87 -4.310 8.136 4.408 1.00 0.00 C ATOM 340 C ASN A 87 -4.829 7.049 5.343 1.00 0.00 C ATOM 341 O ASN A 87 -6.002 6.679 5.290 1.00 0.00 O ATOM 342 CB ASN A 87 -5.091 8.109 3.092 1.00 0.00 C ATOM 343 CG ASN A 87 -5.249 9.490 2.485 1.00 0.00 C ATOM 344 OD1 ASN A 87 -4.273 10.219 2.309 1.00 0.00 O ATOM 345 ND2 ASN A 87 -6.484 9.856 2.162 1.00 0.00 N ATOM 0 H ASN A 87 -2.300 8.728 4.497 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.455 9.103 4.889 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -4.579 7.459 2.382 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -6.076 7.677 3.266 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -6.653 10.774 1.750 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -7.264 9.219 2.326 1.00 0.00 H new ATOM 352 N ILE A 88 -3.948 6.541 6.198 1.00 0.00 N ATOM 353 CA ILE A 88 -4.317 5.497 7.146 1.00 0.00 C ATOM 354 C ILE A 88 -4.880 6.096 8.431 1.00 0.00 C ATOM 355 O ILE A 88 -4.301 7.004 9.028 1.00 0.00 O ATOM 356 CB ILE A 88 -3.114 4.601 7.494 1.00 0.00 C ATOM 357 CG1 ILE A 88 -2.594 3.897 6.239 1.00 0.00 C ATOM 358 CG2 ILE A 88 -3.502 3.583 8.556 1.00 0.00 C ATOM 359 CD1 ILE A 88 -1.155 3.447 6.351 1.00 0.00 C ATOM 0 H ILE A 88 -2.973 6.836 6.254 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.084 4.890 6.664 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.316 5.228 7.893 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.222 3.031 6.032 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.690 4.571 5.388 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.641 2.957 8.792 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.830 4.103 9.456 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.313 2.959 8.182 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.854 2.956 5.425 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.516 4.312 6.527 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.056 2.748 7.181 1.00 0.00 H new ATOM 371 N PRO A 89 -6.036 5.575 8.869 1.00 0.00 N ATOM 372 CA PRO A 89 -6.701 6.041 10.089 1.00 0.00 C ATOM 373 C PRO A 89 -5.936 5.656 11.351 1.00 0.00 C ATOM 374 O PRO A 89 -5.662 4.483 11.605 1.00 0.00 O ATOM 375 CB PRO A 89 -8.056 5.330 10.048 1.00 0.00 C ATOM 376 CG PRO A 89 -7.819 4.109 9.228 1.00 0.00 C ATOM 377 CD PRO A 89 -6.782 4.491 8.208 1.00 0.00 C ATOM 0 HA PRO A 89 -6.775 7.128 10.122 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -8.399 5.073 11.050 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -8.822 5.964 9.602 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -7.471 3.284 9.849 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -8.739 3.779 8.745 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -6.134 3.651 7.960 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -7.239 4.827 7.277 1.00 0.00 H new ATOM 385 N PRO A 90 -5.582 6.664 12.160 1.00 0.00 N ATOM 386 CA PRO A 90 -4.844 6.455 13.410 1.00 0.00 C ATOM 387 C PRO A 90 -5.691 5.767 14.475 1.00 0.00 C ATOM 388 O PRO A 90 -5.230 5.534 15.593 1.00 0.00 O ATOM 389 CB PRO A 90 -4.481 7.876 13.850 1.00 0.00 C ATOM 390 CG PRO A 90 -5.520 8.742 13.225 1.00 0.00 C ATOM 391 CD PRO A 90 -5.876 8.087 11.919 1.00 0.00 C ATOM 0 HA PRO A 90 -3.981 5.804 13.270 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -4.489 7.969 14.936 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -3.481 8.151 13.514 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -6.395 8.828 13.869 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.141 9.751 13.065 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -6.924 8.243 11.664 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -5.284 8.486 11.095 1.00 0.00 H new ATOM 399 N HIS A 91 -6.931 5.444 14.121 1.00 0.00 N ATOM 400 CA HIS A 91 -7.842 4.781 15.047 1.00 0.00 C ATOM 401 C HIS A 91 -7.702 3.264 14.955 1.00 0.00 C ATOM 402 O HIS A 91 -7.602 2.576 15.971 1.00 0.00 O ATOM 403 CB HIS A 91 -9.286 5.191 14.757 1.00 0.00 C ATOM 404 CG HIS A 91 -9.440 6.641 14.416 1.00 0.00 C ATOM 405 ND1 HIS A 91 -10.337 7.102 13.476 1.00 0.00 N ATOM 406 CD2 HIS A 91 -8.804 7.736 14.896 1.00 0.00 C ATOM 407 CE1 HIS A 91 -10.247 8.417 13.392 1.00 0.00 C ATOM 408 NE2 HIS A 91 -9.324 8.827 14.244 1.00 0.00 N ATOM 0 H HIS A 91 -7.328 5.631 13.200 1.00 0.00 H new ATOM 0 HA HIS A 91 -7.581 5.091 16.059 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -9.667 4.590 13.932 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -9.901 4.964 15.627 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -10.971 6.518 12.930 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -8.032 7.749 15.651 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -10.829 9.050 12.738 1.00 0.00 H new ATOM 416 N LEU A 92 -7.698 2.749 13.730 1.00 0.00 N ATOM 417 CA LEU A 92 -7.572 1.314 13.504 1.00 0.00 C ATOM 418 C LEU A 92 -6.369 0.748 14.253 1.00 0.00 C ATOM 419 O LEU A 92 -5.409 1.465 14.534 1.00 0.00 O ATOM 420 CB LEU A 92 -7.439 1.023 12.009 1.00 0.00 C ATOM 421 CG LEU A 92 -6.639 -0.226 11.636 1.00 0.00 C ATOM 422 CD1 LEU A 92 -7.089 -0.766 10.288 1.00 0.00 C ATOM 423 CD2 LEU A 92 -5.148 0.081 11.620 1.00 0.00 C ATOM 0 H LEU A 92 -7.781 3.304 12.878 1.00 0.00 H new ATOM 0 HA LEU A 92 -8.473 0.831 13.883 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -8.440 0.928 11.587 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -6.972 1.885 11.532 1.00 0.00 H new ATOM 0 HG LEU A 92 -6.824 -0.991 12.390 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -6.508 -1.654 10.040 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -8.147 -1.025 10.335 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -6.935 -0.006 9.522 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -4.594 -0.819 11.353 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.945 0.863 10.888 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.836 0.419 12.608 1.00 0.00 H new ATOM 435 N GLN A 93 -6.429 -0.541 14.570 1.00 0.00 N ATOM 436 CA GLN A 93 -5.343 -1.202 15.285 1.00 0.00 C ATOM 437 C GLN A 93 -4.286 -1.716 14.313 1.00 0.00 C ATOM 438 O GLN A 93 -4.603 -2.400 13.340 1.00 0.00 O ATOM 439 CB GLN A 93 -5.887 -2.360 16.124 1.00 0.00 C ATOM 440 CG GLN A 93 -6.587 -1.912 17.397 1.00 0.00 C ATOM 441 CD GLN A 93 -5.616 -1.432 18.458 1.00 0.00 C ATOM 442 OE1 GLN A 93 -4.609 -0.793 18.151 1.00 0.00 O ATOM 443 NE2 GLN A 93 -5.915 -1.737 19.715 1.00 0.00 N ATOM 0 H GLN A 93 -7.217 -1.148 14.344 1.00 0.00 H new ATOM 0 HA GLN A 93 -4.878 -0.471 15.946 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -6.585 -2.939 15.520 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -5.065 -3.026 16.386 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -7.286 -1.110 17.160 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -7.174 -2.740 17.795 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -6.760 -2.268 19.924 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -5.300 -1.440 20.472 1.00 0.00 H new ATOM 452 N TRP A 94 -3.029 -1.382 14.584 1.00 0.00 N ATOM 453 CA TRP A 94 -1.925 -1.809 13.733 1.00 0.00 C ATOM 454 C TRP A 94 -2.039 -3.292 13.397 1.00 0.00 C ATOM 455 O TRP A 94 -1.901 -3.687 12.240 1.00 0.00 O ATOM 456 CB TRP A 94 -0.587 -1.531 14.421 1.00 0.00 C ATOM 457 CG TRP A 94 0.600 -1.852 13.563 1.00 0.00 C ATOM 458 CD1 TRP A 94 1.186 -3.074 13.398 1.00 0.00 C ATOM 459 CD2 TRP A 94 1.346 -0.935 12.755 1.00 0.00 C ATOM 460 NE1 TRP A 94 2.251 -2.973 12.536 1.00 0.00 N ATOM 461 CE2 TRP A 94 2.369 -1.671 12.127 1.00 0.00 C ATOM 462 CE3 TRP A 94 1.247 0.435 12.499 1.00 0.00 C ATOM 463 CZ2 TRP A 94 3.287 -1.081 11.262 1.00 0.00 C ATOM 464 CZ3 TRP A 94 2.158 1.020 11.640 1.00 0.00 C ATOM 465 CH2 TRP A 94 3.167 0.263 11.029 1.00 0.00 C ATOM 0 H TRP A 94 -2.750 -0.817 15.386 1.00 0.00 H new ATOM 0 HA TRP A 94 -1.974 -1.240 12.804 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -0.545 -0.480 14.708 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -0.531 -2.115 15.340 1.00 0.00 H new ATOM 0 HD1 TRP A 94 0.860 -3.986 13.875 1.00 0.00 H new ATOM 0 HE1 TRP A 94 2.855 -3.742 12.248 1.00 0.00 H new ATOM 0 HE3 TRP A 94 0.472 1.026 12.964 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 4.066 -1.663 10.792 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 2.091 2.078 11.436 1.00 0.00 H new ATOM 0 HH2 TRP A 94 3.863 0.749 10.362 1.00 0.00 H new ATOM 476 N GLU A 95 -2.291 -4.108 14.416 1.00 0.00 N ATOM 477 CA GLU A 95 -2.423 -5.548 14.226 1.00 0.00 C ATOM 478 C GLU A 95 -3.271 -5.859 12.997 1.00 0.00 C ATOM 479 O GLU A 95 -2.926 -6.726 12.194 1.00 0.00 O ATOM 480 CB GLU A 95 -3.046 -6.193 15.466 1.00 0.00 C ATOM 481 CG GLU A 95 -4.459 -5.714 15.757 1.00 0.00 C ATOM 482 CD GLU A 95 -5.513 -6.548 15.056 1.00 0.00 C ATOM 483 OE1 GLU A 95 -5.166 -7.243 14.078 1.00 0.00 O ATOM 484 OE2 GLU A 95 -6.685 -6.506 15.485 1.00 0.00 O ATOM 0 H GLU A 95 -2.408 -3.797 15.380 1.00 0.00 H new ATOM 0 HA GLU A 95 -1.426 -5.961 14.072 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -3.058 -7.275 15.335 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -2.415 -5.983 16.330 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -4.634 -5.743 16.832 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -4.558 -4.674 15.446 1.00 0.00 H new ATOM 491 N VAL A 96 -4.384 -5.146 12.857 1.00 0.00 N ATOM 492 CA VAL A 96 -5.282 -5.344 11.725 1.00 0.00 C ATOM 493 C VAL A 96 -4.603 -4.972 10.412 1.00 0.00 C ATOM 494 O VAL A 96 -4.806 -5.626 9.388 1.00 0.00 O ATOM 495 CB VAL A 96 -6.570 -4.513 11.878 1.00 0.00 C ATOM 496 CG1 VAL A 96 -7.471 -4.696 10.666 1.00 0.00 C ATOM 497 CG2 VAL A 96 -7.300 -4.893 13.158 1.00 0.00 C ATOM 0 H VAL A 96 -4.686 -4.426 13.513 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.541 -6.403 11.709 1.00 0.00 H new ATOM 0 HB VAL A 96 -6.297 -3.460 11.942 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -8.376 -4.101 10.792 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -6.945 -4.370 9.769 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -7.739 -5.748 10.567 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -8.207 -4.296 13.250 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.563 -5.950 13.127 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -6.653 -4.705 14.015 1.00 0.00 H new ATOM 507 N LEU A 97 -3.796 -3.918 10.449 1.00 0.00 N ATOM 508 CA LEU A 97 -3.084 -3.458 9.261 1.00 0.00 C ATOM 509 C LEU A 97 -2.184 -4.556 8.705 1.00 0.00 C ATOM 510 O LEU A 97 -2.382 -5.029 7.586 1.00 0.00 O ATOM 511 CB LEU A 97 -2.252 -2.218 9.590 1.00 0.00 C ATOM 512 CG LEU A 97 -1.728 -1.424 8.392 1.00 0.00 C ATOM 513 CD1 LEU A 97 -2.883 -0.872 7.571 1.00 0.00 C ATOM 514 CD2 LEU A 97 -0.815 -0.299 8.856 1.00 0.00 C ATOM 0 H LEU A 97 -3.618 -3.366 11.288 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.823 -3.202 8.502 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -2.857 -1.552 10.205 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.400 -2.527 10.196 1.00 0.00 H new ATOM 0 HG LEU A 97 -1.149 -2.097 7.760 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.491 -0.310 6.723 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.497 -1.696 7.208 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.490 -0.214 8.193 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -0.452 0.255 7.991 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.370 0.373 9.511 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.031 -0.718 9.400 1.00 0.00 H new ATOM 526 N ASP A 98 -1.195 -4.960 9.496 1.00 0.00 N ATOM 527 CA ASP A 98 -0.266 -6.006 9.085 1.00 0.00 C ATOM 528 C ASP A 98 -0.974 -7.061 8.241 1.00 0.00 C ATOM 529 O ASP A 98 -0.608 -7.296 7.089 1.00 0.00 O ATOM 530 CB ASP A 98 0.373 -6.660 10.311 1.00 0.00 C ATOM 531 CG ASP A 98 1.634 -7.429 9.966 1.00 0.00 C ATOM 532 OD1 ASP A 98 1.528 -8.634 9.655 1.00 0.00 O ATOM 533 OD2 ASP A 98 2.726 -6.825 10.005 1.00 0.00 O ATOM 0 H ASP A 98 -1.017 -4.579 10.425 1.00 0.00 H new ATOM 0 HA ASP A 98 0.515 -5.547 8.479 1.00 0.00 H new ATOM 0 HB2 ASP A 98 0.609 -5.892 11.047 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -0.346 -7.336 10.775 1.00 0.00 H new ATOM 538 N SER A 99 -1.988 -7.694 8.822 1.00 0.00 N ATOM 539 CA SER A 99 -2.744 -8.727 8.124 1.00 0.00 C ATOM 540 C SER A 99 -3.305 -8.196 6.809 1.00 0.00 C ATOM 541 O SER A 99 -3.106 -8.792 5.749 1.00 0.00 O ATOM 542 CB SER A 99 -3.883 -9.240 9.008 1.00 0.00 C ATOM 543 OG SER A 99 -3.380 -9.885 10.165 1.00 0.00 O ATOM 0 H SER A 99 -2.305 -7.510 9.774 1.00 0.00 H new ATOM 0 HA SER A 99 -2.066 -9.551 7.902 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.523 -8.408 9.301 1.00 0.00 H new ATOM 0 HB3 SER A 99 -4.503 -9.935 8.441 1.00 0.00 H new ATOM 0 HG SER A 99 -4.127 -10.202 10.714 1.00 0.00 H new ATOM 549 N LEU A 100 -4.008 -7.071 6.885 1.00 0.00 N ATOM 550 CA LEU A 100 -4.599 -6.457 5.701 1.00 0.00 C ATOM 551 C LEU A 100 -3.603 -6.430 4.546 1.00 0.00 C ATOM 552 O LEU A 100 -3.989 -6.483 3.378 1.00 0.00 O ATOM 553 CB LEU A 100 -5.067 -5.036 6.019 1.00 0.00 C ATOM 554 CG LEU A 100 -6.404 -4.918 6.753 1.00 0.00 C ATOM 555 CD1 LEU A 100 -6.571 -3.523 7.336 1.00 0.00 C ATOM 556 CD2 LEU A 100 -7.557 -5.249 5.817 1.00 0.00 C ATOM 0 H LEU A 100 -4.183 -6.566 7.754 1.00 0.00 H new ATOM 0 HA LEU A 100 -5.458 -7.058 5.401 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -4.300 -4.549 6.621 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.138 -4.481 5.084 1.00 0.00 H new ATOM 0 HG LEU A 100 -6.411 -5.636 7.573 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -7.528 -3.457 7.854 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -5.763 -3.323 8.039 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -6.543 -2.787 6.532 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -8.500 -5.160 6.356 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -7.553 -4.556 4.976 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -7.445 -6.268 5.448 1.00 0.00 H new ATOM 568 N LEU A 101 -2.320 -6.350 4.881 1.00 0.00 N ATOM 569 CA LEU A 101 -1.267 -6.319 3.872 1.00 0.00 C ATOM 570 C LEU A 101 -0.807 -7.730 3.520 1.00 0.00 C ATOM 571 O LEU A 101 -0.551 -8.039 2.356 1.00 0.00 O ATOM 572 CB LEU A 101 -0.080 -5.493 4.370 1.00 0.00 C ATOM 573 CG LEU A 101 -0.424 -4.182 5.077 1.00 0.00 C ATOM 574 CD1 LEU A 101 0.830 -3.538 5.648 1.00 0.00 C ATOM 575 CD2 LEU A 101 -1.126 -3.229 4.120 1.00 0.00 C ATOM 0 H LEU A 101 -1.984 -6.305 5.843 1.00 0.00 H new ATOM 0 HA LEU A 101 -1.673 -5.855 2.973 1.00 0.00 H new ATOM 0 HB2 LEU A 101 0.504 -6.109 5.054 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.562 -5.266 3.519 1.00 0.00 H new ATOM 0 HG LEU A 101 -1.102 -4.403 5.902 1.00 0.00 H new ATOM 0 HD11 LEU A 101 0.565 -2.606 6.147 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.292 -4.216 6.366 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.532 -3.330 4.841 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -1.364 -2.301 4.640 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.472 -3.014 3.275 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -2.046 -3.688 3.759 1.00 0.00 H new ATOM 587 N VAL A 102 -0.707 -8.584 4.534 1.00 0.00 N ATOM 588 CA VAL A 102 -0.282 -9.964 4.332 1.00 0.00 C ATOM 589 C VAL A 102 -1.352 -10.767 3.600 1.00 0.00 C ATOM 590 O VAL A 102 -1.069 -11.821 3.030 1.00 0.00 O ATOM 591 CB VAL A 102 0.037 -10.655 5.671 1.00 0.00 C ATOM 592 CG1 VAL A 102 -1.210 -11.311 6.244 1.00 0.00 C ATOM 593 CG2 VAL A 102 1.151 -11.675 5.492 1.00 0.00 C ATOM 0 H VAL A 102 -0.915 -8.344 5.503 1.00 0.00 H new ATOM 0 HA VAL A 102 0.622 -9.931 3.725 1.00 0.00 H new ATOM 0 HB VAL A 102 0.378 -9.899 6.378 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.965 -11.794 7.190 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -1.976 -10.553 6.411 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -1.584 -12.056 5.542 1.00 0.00 H new ATOM 0 HG21 VAL A 102 1.363 -12.153 6.448 1.00 0.00 H new ATOM 0 HG22 VAL A 102 0.841 -12.430 4.769 1.00 0.00 H new ATOM 0 HG23 VAL A 102 2.049 -11.174 5.130 1.00 0.00 H new ATOM 603 N GLN A 103 -2.581 -10.262 3.621 1.00 0.00 N ATOM 604 CA GLN A 103 -3.694 -10.933 2.959 1.00 0.00 C ATOM 605 C GLN A 103 -3.504 -10.939 1.446 1.00 0.00 C ATOM 606 O GLN A 103 -3.720 -11.956 0.787 1.00 0.00 O ATOM 607 CB GLN A 103 -5.015 -10.250 3.317 1.00 0.00 C ATOM 608 CG GLN A 103 -5.438 -10.462 4.762 1.00 0.00 C ATOM 609 CD GLN A 103 -6.348 -9.362 5.271 1.00 0.00 C ATOM 610 OE1 GLN A 103 -6.995 -8.664 4.489 1.00 0.00 O ATOM 611 NE2 GLN A 103 -6.404 -9.201 6.588 1.00 0.00 N ATOM 0 H GLN A 103 -2.831 -9.391 4.089 1.00 0.00 H new ATOM 0 HA GLN A 103 -3.722 -11.966 3.307 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -4.925 -9.181 3.127 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -5.799 -10.626 2.659 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -5.949 -11.421 4.850 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -4.550 -10.515 5.392 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -5.851 -9.802 7.199 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -7.000 -8.477 6.988 1.00 0.00 H new ATOM 620 N TYR A 104 -3.099 -9.797 0.902 1.00 0.00 N ATOM 621 CA TYR A 104 -2.883 -9.669 -0.535 1.00 0.00 C ATOM 622 C TYR A 104 -1.785 -10.618 -1.007 1.00 0.00 C ATOM 623 O TYR A 104 -1.967 -11.369 -1.964 1.00 0.00 O ATOM 624 CB TYR A 104 -2.514 -8.228 -0.890 1.00 0.00 C ATOM 625 CG TYR A 104 -3.627 -7.238 -0.636 1.00 0.00 C ATOM 626 CD1 TYR A 104 -3.754 -6.607 0.596 1.00 0.00 C ATOM 627 CD2 TYR A 104 -4.553 -6.933 -1.626 1.00 0.00 C ATOM 628 CE1 TYR A 104 -4.770 -5.702 0.834 1.00 0.00 C ATOM 629 CE2 TYR A 104 -5.571 -6.028 -1.397 1.00 0.00 C ATOM 630 CZ TYR A 104 -5.676 -5.415 -0.166 1.00 0.00 C ATOM 631 OH TYR A 104 -6.690 -4.514 0.066 1.00 0.00 O ATOM 0 H TYR A 104 -2.914 -8.947 1.434 1.00 0.00 H new ATOM 0 HA TYR A 104 -3.811 -9.935 -1.042 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -1.638 -7.933 -0.312 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -2.232 -8.183 -1.942 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -3.046 -6.828 1.381 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -4.475 -7.412 -2.591 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -4.855 -5.222 1.798 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -6.281 -5.801 -2.178 1.00 0.00 H new ATOM 0 HH TYR A 104 -7.239 -4.425 -0.741 1.00 0.00 H new ATOM 641 N GLY A 105 -0.644 -10.579 -0.326 1.00 0.00 N ATOM 642 CA GLY A 105 0.467 -11.439 -0.688 1.00 0.00 C ATOM 643 C GLY A 105 1.442 -11.641 0.455 1.00 0.00 C ATOM 644 O GLY A 105 1.078 -11.499 1.622 1.00 0.00 O ATOM 0 H GLY A 105 -0.469 -9.966 0.471 1.00 0.00 H new ATOM 0 HA2 GLY A 105 0.083 -12.407 -1.009 1.00 0.00 H new ATOM 0 HA3 GLY A 105 0.994 -11.007 -1.539 1.00 0.00 H new ATOM 648 N VAL A 106 2.684 -11.975 0.119 1.00 0.00 N ATOM 649 CA VAL A 106 3.714 -12.198 1.127 1.00 0.00 C ATOM 650 C VAL A 106 4.456 -10.905 1.449 1.00 0.00 C ATOM 651 O VAL A 106 5.433 -10.555 0.786 1.00 0.00 O ATOM 652 CB VAL A 106 4.730 -13.259 0.665 1.00 0.00 C ATOM 653 CG1 VAL A 106 5.802 -13.469 1.725 1.00 0.00 C ATOM 654 CG2 VAL A 106 4.025 -14.567 0.342 1.00 0.00 C ATOM 0 H VAL A 106 3.001 -12.097 -0.843 1.00 0.00 H new ATOM 0 HA VAL A 106 3.208 -12.556 2.024 1.00 0.00 H new ATOM 0 HB VAL A 106 5.215 -12.901 -0.243 1.00 0.00 H new ATOM 0 HG11 VAL A 106 6.511 -14.222 1.381 1.00 0.00 H new ATOM 0 HG12 VAL A 106 6.327 -12.530 1.902 1.00 0.00 H new ATOM 0 HG13 VAL A 106 5.337 -13.805 2.652 1.00 0.00 H new ATOM 0 HG21 VAL A 106 4.758 -15.305 0.017 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.511 -14.933 1.231 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.299 -14.402 -0.454 1.00 0.00 H new ATOM 664 N VAL A 107 3.986 -10.198 2.472 1.00 0.00 N ATOM 665 CA VAL A 107 4.605 -8.945 2.884 1.00 0.00 C ATOM 666 C VAL A 107 5.931 -9.194 3.593 1.00 0.00 C ATOM 667 O VAL A 107 5.965 -9.444 4.797 1.00 0.00 O ATOM 668 CB VAL A 107 3.680 -8.141 3.817 1.00 0.00 C ATOM 669 CG1 VAL A 107 3.391 -8.926 5.087 1.00 0.00 C ATOM 670 CG2 VAL A 107 4.297 -6.790 4.144 1.00 0.00 C ATOM 0 H VAL A 107 3.178 -10.473 3.031 1.00 0.00 H new ATOM 0 HA VAL A 107 4.784 -8.368 1.977 1.00 0.00 H new ATOM 0 HB VAL A 107 2.735 -7.968 3.302 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.736 -8.343 5.734 1.00 0.00 H new ATOM 0 HG12 VAL A 107 2.904 -9.867 4.830 1.00 0.00 H new ATOM 0 HG13 VAL A 107 4.326 -9.132 5.608 1.00 0.00 H new ATOM 0 HG21 VAL A 107 3.630 -6.236 4.804 1.00 0.00 H new ATOM 0 HG22 VAL A 107 5.257 -6.939 4.639 1.00 0.00 H new ATOM 0 HG23 VAL A 107 4.447 -6.226 3.223 1.00 0.00 H new ATOM 680 N GLU A 108 7.023 -9.124 2.837 1.00 0.00 N ATOM 681 CA GLU A 108 8.352 -9.342 3.394 1.00 0.00 C ATOM 682 C GLU A 108 8.501 -8.640 4.740 1.00 0.00 C ATOM 683 O GLU A 108 8.866 -9.259 5.739 1.00 0.00 O ATOM 684 CB GLU A 108 9.425 -8.842 2.424 1.00 0.00 C ATOM 685 CG GLU A 108 10.752 -9.569 2.556 1.00 0.00 C ATOM 686 CD GLU A 108 11.193 -9.721 3.999 1.00 0.00 C ATOM 687 OE1 GLU A 108 10.733 -10.675 4.661 1.00 0.00 O ATOM 688 OE2 GLU A 108 11.997 -8.888 4.466 1.00 0.00 O ATOM 0 H GLU A 108 7.013 -8.918 1.838 1.00 0.00 H new ATOM 0 HA GLU A 108 8.481 -10.413 3.547 1.00 0.00 H new ATOM 0 HB2 GLU A 108 9.060 -8.953 1.403 1.00 0.00 H new ATOM 0 HB3 GLU A 108 9.586 -7.777 2.591 1.00 0.00 H new ATOM 0 HG2 GLU A 108 10.669 -10.555 2.100 1.00 0.00 H new ATOM 0 HG3 GLU A 108 11.517 -9.025 2.002 1.00 0.00 H new ATOM 695 N SER A 109 8.215 -7.342 4.758 1.00 0.00 N ATOM 696 CA SER A 109 8.320 -6.552 5.980 1.00 0.00 C ATOM 697 C SER A 109 7.506 -5.267 5.868 1.00 0.00 C ATOM 698 O SER A 109 7.377 -4.693 4.786 1.00 0.00 O ATOM 699 CB SER A 109 9.784 -6.219 6.272 1.00 0.00 C ATOM 700 OG SER A 109 9.955 -5.808 7.618 1.00 0.00 O ATOM 0 H SER A 109 7.909 -6.815 3.940 1.00 0.00 H new ATOM 0 HA SER A 109 7.919 -7.144 6.802 1.00 0.00 H new ATOM 0 HB2 SER A 109 10.405 -7.092 6.073 1.00 0.00 H new ATOM 0 HB3 SER A 109 10.121 -5.429 5.601 1.00 0.00 H new ATOM 0 HG SER A 109 10.899 -5.603 7.780 1.00 0.00 H new ATOM 706 N CYS A 110 6.960 -4.820 6.993 1.00 0.00 N ATOM 707 CA CYS A 110 6.157 -3.603 7.023 1.00 0.00 C ATOM 708 C CYS A 110 6.849 -2.515 7.839 1.00 0.00 C ATOM 709 O CYS A 110 6.763 -2.498 9.066 1.00 0.00 O ATOM 710 CB CYS A 110 4.774 -3.893 7.607 1.00 0.00 C ATOM 711 SG CYS A 110 3.739 -2.425 7.817 1.00 0.00 S ATOM 0 H CYS A 110 7.059 -5.282 7.897 1.00 0.00 H new ATOM 0 HA CYS A 110 6.043 -3.247 5.999 1.00 0.00 H new ATOM 0 HB2 CYS A 110 4.257 -4.599 6.956 1.00 0.00 H new ATOM 0 HB3 CYS A 110 4.895 -4.381 8.574 1.00 0.00 H new ATOM 0 HG CYS A 110 3.625 -2.152 9.083 1.00 0.00 H new ATOM 717 N GLU A 111 7.537 -1.611 7.148 1.00 0.00 N ATOM 718 CA GLU A 111 8.245 -0.522 7.809 1.00 0.00 C ATOM 719 C GLU A 111 7.329 0.681 8.010 1.00 0.00 C ATOM 720 O GLU A 111 6.354 0.859 7.281 1.00 0.00 O ATOM 721 CB GLU A 111 9.472 -0.112 6.992 1.00 0.00 C ATOM 722 CG GLU A 111 10.487 0.697 7.783 1.00 0.00 C ATOM 723 CD GLU A 111 11.312 -0.161 8.722 1.00 0.00 C ATOM 724 OE1 GLU A 111 12.052 -1.038 8.229 1.00 0.00 O ATOM 725 OE2 GLU A 111 11.217 0.043 9.950 1.00 0.00 O ATOM 0 H GLU A 111 7.619 -1.612 6.131 1.00 0.00 H new ATOM 0 HA GLU A 111 8.570 -0.876 8.787 1.00 0.00 H new ATOM 0 HB2 GLU A 111 9.956 -1.008 6.605 1.00 0.00 H new ATOM 0 HB3 GLU A 111 9.146 0.471 6.131 1.00 0.00 H new ATOM 0 HG2 GLU A 111 11.152 1.215 7.092 1.00 0.00 H new ATOM 0 HG3 GLU A 111 9.967 1.462 8.359 1.00 0.00 H new ATOM 732 N GLN A 112 7.649 1.502 9.005 1.00 0.00 N ATOM 733 CA GLN A 112 6.854 2.688 9.303 1.00 0.00 C ATOM 734 C GLN A 112 7.450 3.924 8.637 1.00 0.00 C ATOM 735 O GLN A 112 8.640 3.962 8.326 1.00 0.00 O ATOM 736 CB GLN A 112 6.764 2.901 10.815 1.00 0.00 C ATOM 737 CG GLN A 112 5.631 3.824 11.233 1.00 0.00 C ATOM 738 CD GLN A 112 5.237 3.644 12.685 1.00 0.00 C ATOM 739 OE1 GLN A 112 6.087 3.416 13.547 1.00 0.00 O ATOM 740 NE2 GLN A 112 3.943 3.746 12.965 1.00 0.00 N ATOM 0 H GLN A 112 8.453 1.368 9.618 1.00 0.00 H new ATOM 0 HA GLN A 112 5.851 2.532 8.906 1.00 0.00 H new ATOM 0 HB2 GLN A 112 6.633 1.935 11.302 1.00 0.00 H new ATOM 0 HB3 GLN A 112 7.708 3.313 11.172 1.00 0.00 H new ATOM 0 HG2 GLN A 112 5.931 4.859 11.068 1.00 0.00 H new ATOM 0 HG3 GLN A 112 4.764 3.638 10.599 1.00 0.00 H new ATOM 0 HE21 GLN A 112 3.273 3.936 12.219 1.00 0.00 H new ATOM 0 HE22 GLN A 112 3.619 3.635 13.926 1.00 0.00 H new ATOM 749 N VAL A 113 6.613 4.935 8.422 1.00 0.00 N ATOM 750 CA VAL A 113 7.057 6.173 7.794 1.00 0.00 C ATOM 751 C VAL A 113 6.150 7.338 8.174 1.00 0.00 C ATOM 752 O VAL A 113 5.003 7.140 8.572 1.00 0.00 O ATOM 753 CB VAL A 113 7.093 6.044 6.259 1.00 0.00 C ATOM 754 CG1 VAL A 113 7.878 7.192 5.644 1.00 0.00 C ATOM 755 CG2 VAL A 113 7.685 4.703 5.852 1.00 0.00 C ATOM 0 H VAL A 113 5.625 4.920 8.674 1.00 0.00 H new ATOM 0 HA VAL A 113 8.066 6.368 8.158 1.00 0.00 H new ATOM 0 HB VAL A 113 6.071 6.094 5.883 1.00 0.00 H new ATOM 0 HG11 VAL A 113 7.892 7.083 4.560 1.00 0.00 H new ATOM 0 HG12 VAL A 113 7.406 8.138 5.908 1.00 0.00 H new ATOM 0 HG13 VAL A 113 8.900 7.178 6.023 1.00 0.00 H new ATOM 0 HG21 VAL A 113 7.703 4.628 4.765 1.00 0.00 H new ATOM 0 HG22 VAL A 113 8.701 4.622 6.238 1.00 0.00 H new ATOM 0 HG23 VAL A 113 7.076 3.897 6.261 1.00 0.00 H new ATOM 765 N ASN A 114 6.672 8.554 8.047 1.00 0.00 N ATOM 766 CA ASN A 114 5.909 9.752 8.378 1.00 0.00 C ATOM 767 C ASN A 114 6.030 10.796 7.272 1.00 0.00 C ATOM 768 O ASN A 114 7.083 11.409 7.093 1.00 0.00 O ATOM 769 CB ASN A 114 6.392 10.340 9.705 1.00 0.00 C ATOM 770 CG ASN A 114 6.929 9.279 10.646 1.00 0.00 C ATOM 771 OD1 ASN A 114 6.274 8.267 10.897 1.00 0.00 O ATOM 772 ND2 ASN A 114 8.127 9.506 11.172 1.00 0.00 N ATOM 0 H ASN A 114 7.620 8.736 7.717 1.00 0.00 H new ATOM 0 HA ASN A 114 4.861 9.470 8.474 1.00 0.00 H new ATOM 0 HB2 ASN A 114 7.171 11.077 9.511 1.00 0.00 H new ATOM 0 HB3 ASN A 114 5.568 10.866 10.187 1.00 0.00 H new ATOM 0 HD21 ASN A 114 8.540 8.828 11.812 1.00 0.00 H new ATOM 0 HD22 ASN A 114 8.634 10.359 10.936 1.00 0.00 H new ATOM 779 N THR A 115 4.943 10.995 6.532 1.00 0.00 N ATOM 780 CA THR A 115 4.927 11.964 5.444 1.00 0.00 C ATOM 781 C THR A 115 4.457 13.330 5.931 1.00 0.00 C ATOM 782 O THR A 115 3.982 14.150 5.145 1.00 0.00 O ATOM 783 CB THR A 115 4.014 11.500 4.293 1.00 0.00 C ATOM 784 OG1 THR A 115 4.248 12.301 3.129 1.00 0.00 O ATOM 785 CG2 THR A 115 2.549 11.593 4.692 1.00 0.00 C ATOM 0 H THR A 115 4.063 10.498 6.667 1.00 0.00 H new ATOM 0 HA THR A 115 5.950 12.045 5.077 1.00 0.00 H new ATOM 0 HB THR A 115 4.248 10.459 4.071 1.00 0.00 H new ATOM 0 HG1 THR A 115 4.292 13.246 3.386 1.00 0.00 H new ATOM 0 HG21 THR A 115 1.924 11.260 3.863 1.00 0.00 H new ATOM 0 HG22 THR A 115 2.367 10.960 5.560 1.00 0.00 H new ATOM 0 HG23 THR A 115 2.304 12.626 4.939 1.00 0.00 H new ATOM 793 N ASP A 116 4.593 13.568 7.231 1.00 0.00 N ATOM 794 CA ASP A 116 4.184 14.837 7.822 1.00 0.00 C ATOM 795 C ASP A 116 2.688 15.067 7.633 1.00 0.00 C ATOM 796 O ASP A 116 2.255 16.181 7.337 1.00 0.00 O ATOM 797 CB ASP A 116 4.974 15.991 7.203 1.00 0.00 C ATOM 798 CG ASP A 116 6.444 15.951 7.572 1.00 0.00 C ATOM 799 OD1 ASP A 116 7.029 14.849 7.555 1.00 0.00 O ATOM 800 OD2 ASP A 116 7.008 17.022 7.879 1.00 0.00 O ATOM 0 H ASP A 116 4.983 12.899 7.895 1.00 0.00 H new ATOM 0 HA ASP A 116 4.394 14.797 8.891 1.00 0.00 H new ATOM 0 HB2 ASP A 116 4.874 15.955 6.118 1.00 0.00 H new ATOM 0 HB3 ASP A 116 4.546 16.938 7.532 1.00 0.00 H new ATOM 805 N SER A 117 1.905 14.008 7.805 1.00 0.00 N ATOM 806 CA SER A 117 0.458 14.094 7.648 1.00 0.00 C ATOM 807 C SER A 117 -0.256 13.427 8.820 1.00 0.00 C ATOM 808 O SER A 117 0.228 12.442 9.376 1.00 0.00 O ATOM 809 CB SER A 117 0.026 13.439 6.334 1.00 0.00 C ATOM 810 OG SER A 117 0.349 14.261 5.225 1.00 0.00 O ATOM 0 H SER A 117 2.248 13.080 8.053 1.00 0.00 H new ATOM 0 HA SER A 117 0.182 15.148 7.628 1.00 0.00 H new ATOM 0 HB2 SER A 117 0.516 12.471 6.228 1.00 0.00 H new ATOM 0 HB3 SER A 117 -1.048 13.253 6.352 1.00 0.00 H new ATOM 0 HG SER A 117 0.065 13.820 4.397 1.00 0.00 H new ATOM 816 N GLU A 118 -1.411 13.972 9.189 1.00 0.00 N ATOM 817 CA GLU A 118 -2.192 13.431 10.295 1.00 0.00 C ATOM 818 C GLU A 118 -2.259 11.908 10.219 1.00 0.00 C ATOM 819 O GLU A 118 -1.723 11.207 11.079 1.00 0.00 O ATOM 820 CB GLU A 118 -3.606 14.016 10.285 1.00 0.00 C ATOM 821 CG GLU A 118 -3.740 15.295 11.094 1.00 0.00 C ATOM 822 CD GLU A 118 -3.934 15.032 12.574 1.00 0.00 C ATOM 823 OE1 GLU A 118 -5.063 14.672 12.970 1.00 0.00 O ATOM 824 OE2 GLU A 118 -2.958 15.187 13.338 1.00 0.00 O ATOM 0 H GLU A 118 -1.826 14.787 8.738 1.00 0.00 H new ATOM 0 HA GLU A 118 -1.698 13.710 11.226 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -3.901 14.215 9.255 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -4.300 13.273 10.677 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -2.848 15.906 10.951 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -4.585 15.872 10.718 1.00 0.00 H new ATOM 831 N THR A 119 -2.923 11.401 9.185 1.00 0.00 N ATOM 832 CA THR A 119 -3.063 9.963 8.997 1.00 0.00 C ATOM 833 C THR A 119 -1.721 9.256 9.142 1.00 0.00 C ATOM 834 O THR A 119 -0.665 9.876 9.014 1.00 0.00 O ATOM 835 CB THR A 119 -3.657 9.633 7.614 1.00 0.00 C ATOM 836 OG1 THR A 119 -2.902 10.284 6.588 1.00 0.00 O ATOM 837 CG2 THR A 119 -5.113 10.067 7.533 1.00 0.00 C ATOM 0 H THR A 119 -3.373 11.966 8.464 1.00 0.00 H new ATOM 0 HA THR A 119 -3.743 9.608 9.771 1.00 0.00 H new ATOM 0 HB THR A 119 -3.608 8.554 7.470 1.00 0.00 H new ATOM 0 HG1 THR A 119 -3.511 10.763 5.987 1.00 0.00 H new ATOM 0 HG21 THR A 119 -5.511 9.824 6.548 1.00 0.00 H new ATOM 0 HG22 THR A 119 -5.691 9.546 8.296 1.00 0.00 H new ATOM 0 HG23 THR A 119 -5.182 11.142 7.697 1.00 0.00 H new ATOM 845 N ALA A 120 -1.768 7.955 9.410 1.00 0.00 N ATOM 846 CA ALA A 120 -0.555 7.164 9.571 1.00 0.00 C ATOM 847 C ALA A 120 0.030 6.775 8.217 1.00 0.00 C ATOM 848 O ALA A 120 -0.699 6.613 7.238 1.00 0.00 O ATOM 849 CB ALA A 120 -0.841 5.921 10.401 1.00 0.00 C ATOM 0 H ALA A 120 -2.634 7.427 9.520 1.00 0.00 H new ATOM 0 HA ALA A 120 0.181 7.775 10.094 1.00 0.00 H new ATOM 0 HB1 ALA A 120 0.074 5.340 10.513 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -1.206 6.216 11.385 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -1.597 5.315 9.901 1.00 0.00 H new ATOM 855 N VAL A 121 1.350 6.627 8.168 1.00 0.00 N ATOM 856 CA VAL A 121 2.032 6.256 6.934 1.00 0.00 C ATOM 857 C VAL A 121 3.021 5.121 7.172 1.00 0.00 C ATOM 858 O VAL A 121 3.730 5.101 8.179 1.00 0.00 O ATOM 859 CB VAL A 121 2.783 7.456 6.326 1.00 0.00 C ATOM 860 CG1 VAL A 121 3.410 7.074 4.993 1.00 0.00 C ATOM 861 CG2 VAL A 121 1.845 8.643 6.162 1.00 0.00 C ATOM 0 H VAL A 121 1.968 6.758 8.969 1.00 0.00 H new ATOM 0 HA VAL A 121 1.264 5.924 6.235 1.00 0.00 H new ATOM 0 HB VAL A 121 3.583 7.745 7.007 1.00 0.00 H new ATOM 0 HG11 VAL A 121 3.936 7.934 4.579 1.00 0.00 H new ATOM 0 HG12 VAL A 121 4.114 6.256 5.143 1.00 0.00 H new ATOM 0 HG13 VAL A 121 2.629 6.758 4.301 1.00 0.00 H new ATOM 0 HG21 VAL A 121 2.392 9.482 5.731 1.00 0.00 H new ATOM 0 HG22 VAL A 121 1.023 8.368 5.501 1.00 0.00 H new ATOM 0 HG23 VAL A 121 1.448 8.930 7.136 1.00 0.00 H new ATOM 871 N VAL A 122 3.064 4.175 6.239 1.00 0.00 N ATOM 872 CA VAL A 122 3.968 3.036 6.346 1.00 0.00 C ATOM 873 C VAL A 122 4.340 2.499 4.969 1.00 0.00 C ATOM 874 O VAL A 122 3.621 2.710 3.994 1.00 0.00 O ATOM 875 CB VAL A 122 3.342 1.899 7.176 1.00 0.00 C ATOM 876 CG1 VAL A 122 2.963 2.397 8.563 1.00 0.00 C ATOM 877 CG2 VAL A 122 2.131 1.321 6.460 1.00 0.00 C ATOM 0 H VAL A 122 2.483 4.175 5.401 1.00 0.00 H new ATOM 0 HA VAL A 122 4.867 3.391 6.850 1.00 0.00 H new ATOM 0 HB VAL A 122 4.081 1.106 7.289 1.00 0.00 H new ATOM 0 HG11 VAL A 122 2.522 1.580 9.135 1.00 0.00 H new ATOM 0 HG12 VAL A 122 3.854 2.760 9.075 1.00 0.00 H new ATOM 0 HG13 VAL A 122 2.241 3.208 8.473 1.00 0.00 H new ATOM 0 HG21 VAL A 122 1.702 0.519 7.061 1.00 0.00 H new ATOM 0 HG22 VAL A 122 1.387 2.104 6.314 1.00 0.00 H new ATOM 0 HG23 VAL A 122 2.436 0.925 5.491 1.00 0.00 H new ATOM 887 N ASN A 123 5.470 1.802 4.898 1.00 0.00 N ATOM 888 CA ASN A 123 5.939 1.233 3.639 1.00 0.00 C ATOM 889 C ASN A 123 5.791 -0.285 3.639 1.00 0.00 C ATOM 890 O ASN A 123 6.255 -0.965 4.554 1.00 0.00 O ATOM 891 CB ASN A 123 7.401 1.614 3.397 1.00 0.00 C ATOM 892 CG ASN A 123 7.562 3.072 3.012 1.00 0.00 C ATOM 893 OD1 ASN A 123 6.580 3.782 2.798 1.00 0.00 O ATOM 894 ND2 ASN A 123 8.807 3.526 2.923 1.00 0.00 N ATOM 0 H ASN A 123 6.077 1.618 5.697 1.00 0.00 H new ATOM 0 HA ASN A 123 5.326 1.640 2.835 1.00 0.00 H new ATOM 0 HB2 ASN A 123 7.980 1.413 4.298 1.00 0.00 H new ATOM 0 HB3 ASN A 123 7.812 0.985 2.607 1.00 0.00 H new ATOM 0 HD21 ASN A 123 8.978 4.499 2.669 1.00 0.00 H new ATOM 0 HD22 ASN A 123 9.592 2.902 3.109 1.00 0.00 H new ATOM 901 N VAL A 124 5.141 -0.811 2.606 1.00 0.00 N ATOM 902 CA VAL A 124 4.932 -2.249 2.485 1.00 0.00 C ATOM 903 C VAL A 124 5.934 -2.870 1.518 1.00 0.00 C ATOM 904 O VAL A 124 6.115 -2.388 0.399 1.00 0.00 O ATOM 905 CB VAL A 124 3.505 -2.571 2.005 1.00 0.00 C ATOM 906 CG1 VAL A 124 3.329 -4.070 1.821 1.00 0.00 C ATOM 907 CG2 VAL A 124 2.478 -2.022 2.984 1.00 0.00 C ATOM 0 H VAL A 124 4.750 -0.262 1.840 1.00 0.00 H new ATOM 0 HA VAL A 124 5.077 -2.674 3.478 1.00 0.00 H new ATOM 0 HB VAL A 124 3.348 -2.090 1.040 1.00 0.00 H new ATOM 0 HG11 VAL A 124 2.314 -4.278 1.482 1.00 0.00 H new ATOM 0 HG12 VAL A 124 4.041 -4.432 1.079 1.00 0.00 H new ATOM 0 HG13 VAL A 124 3.505 -4.576 2.770 1.00 0.00 H new ATOM 0 HG21 VAL A 124 1.475 -2.258 2.630 1.00 0.00 H new ATOM 0 HG22 VAL A 124 2.632 -2.473 3.964 1.00 0.00 H new ATOM 0 HG23 VAL A 124 2.590 -0.941 3.061 1.00 0.00 H new ATOM 917 N THR A 125 6.584 -3.944 1.956 1.00 0.00 N ATOM 918 CA THR A 125 7.568 -4.632 1.130 1.00 0.00 C ATOM 919 C THR A 125 7.183 -6.091 0.917 1.00 0.00 C ATOM 920 O THR A 125 7.389 -6.932 1.792 1.00 0.00 O ATOM 921 CB THR A 125 8.972 -4.570 1.761 1.00 0.00 C ATOM 922 OG1 THR A 125 9.143 -3.329 2.456 1.00 0.00 O ATOM 923 CG2 THR A 125 10.050 -4.714 0.697 1.00 0.00 C ATOM 0 H THR A 125 6.446 -4.356 2.879 1.00 0.00 H new ATOM 0 HA THR A 125 7.587 -4.120 0.168 1.00 0.00 H new ATOM 0 HB THR A 125 9.066 -5.396 2.466 1.00 0.00 H new ATOM 0 HG1 THR A 125 8.682 -3.372 3.320 1.00 0.00 H new ATOM 0 HG21 THR A 125 11.033 -4.667 1.166 1.00 0.00 H new ATOM 0 HG22 THR A 125 9.935 -5.672 0.190 1.00 0.00 H new ATOM 0 HG23 THR A 125 9.955 -3.906 -0.028 1.00 0.00 H new ATOM 931 N TYR A 126 6.625 -6.385 -0.252 1.00 0.00 N ATOM 932 CA TYR A 126 6.209 -7.744 -0.580 1.00 0.00 C ATOM 933 C TYR A 126 7.367 -8.539 -1.175 1.00 0.00 C ATOM 934 O TYR A 126 8.356 -7.967 -1.635 1.00 0.00 O ATOM 935 CB TYR A 126 5.036 -7.718 -1.561 1.00 0.00 C ATOM 936 CG TYR A 126 3.726 -7.307 -0.928 1.00 0.00 C ATOM 937 CD1 TYR A 126 3.093 -8.124 0.000 1.00 0.00 C ATOM 938 CD2 TYR A 126 3.122 -6.100 -1.258 1.00 0.00 C ATOM 939 CE1 TYR A 126 1.896 -7.752 0.580 1.00 0.00 C ATOM 940 CE2 TYR A 126 1.925 -5.719 -0.681 1.00 0.00 C ATOM 941 CZ TYR A 126 1.316 -6.549 0.237 1.00 0.00 C ATOM 942 OH TYR A 126 0.124 -6.174 0.814 1.00 0.00 O ATOM 0 H TYR A 126 6.450 -5.701 -0.988 1.00 0.00 H new ATOM 0 HA TYR A 126 5.892 -8.232 0.341 1.00 0.00 H new ATOM 0 HB2 TYR A 126 5.268 -7.030 -2.374 1.00 0.00 H new ATOM 0 HB3 TYR A 126 4.921 -8.708 -2.003 1.00 0.00 H new ATOM 0 HD1 TYR A 126 3.545 -9.066 0.273 1.00 0.00 H new ATOM 0 HD2 TYR A 126 3.596 -5.449 -1.977 1.00 0.00 H new ATOM 0 HE1 TYR A 126 1.417 -8.400 1.299 1.00 0.00 H new ATOM 0 HE2 TYR A 126 1.469 -4.777 -0.947 1.00 0.00 H new ATOM 0 HH TYR A 126 -0.358 -6.972 1.118 1.00 0.00 H new ATOM 952 N SER A 127 7.237 -9.862 -1.163 1.00 0.00 N ATOM 953 CA SER A 127 8.273 -10.737 -1.698 1.00 0.00 C ATOM 954 C SER A 127 8.127 -10.890 -3.209 1.00 0.00 C ATOM 955 O SER A 127 9.112 -10.844 -3.947 1.00 0.00 O ATOM 956 CB SER A 127 8.207 -12.110 -1.027 1.00 0.00 C ATOM 957 OG SER A 127 9.299 -12.923 -1.420 1.00 0.00 O ATOM 0 H SER A 127 6.424 -10.351 -0.788 1.00 0.00 H new ATOM 0 HA SER A 127 9.242 -10.284 -1.487 1.00 0.00 H new ATOM 0 HB2 SER A 127 8.211 -11.989 0.056 1.00 0.00 H new ATOM 0 HB3 SER A 127 7.270 -12.602 -1.290 1.00 0.00 H new ATOM 0 HG SER A 127 9.234 -13.794 -0.976 1.00 0.00 H new ATOM 963 N SER A 128 6.891 -11.072 -3.663 1.00 0.00 N ATOM 964 CA SER A 128 6.616 -11.236 -5.086 1.00 0.00 C ATOM 965 C SER A 128 6.258 -9.899 -5.727 1.00 0.00 C ATOM 966 O SER A 128 6.082 -8.893 -5.039 1.00 0.00 O ATOM 967 CB SER A 128 5.476 -12.236 -5.294 1.00 0.00 C ATOM 968 OG SER A 128 5.618 -12.920 -6.527 1.00 0.00 O ATOM 0 H SER A 128 6.064 -11.110 -3.066 1.00 0.00 H new ATOM 0 HA SER A 128 7.518 -11.619 -5.564 1.00 0.00 H new ATOM 0 HB2 SER A 128 5.464 -12.955 -4.475 1.00 0.00 H new ATOM 0 HB3 SER A 128 4.520 -11.713 -5.273 1.00 0.00 H new ATOM 0 HG SER A 128 4.879 -13.554 -6.636 1.00 0.00 H new ATOM 974 N LYS A 129 6.152 -9.895 -7.052 1.00 0.00 N ATOM 975 CA LYS A 129 5.814 -8.683 -7.789 1.00 0.00 C ATOM 976 C LYS A 129 4.303 -8.547 -7.949 1.00 0.00 C ATOM 977 O LYS A 129 3.706 -7.573 -7.490 1.00 0.00 O ATOM 978 CB LYS A 129 6.484 -8.695 -9.165 1.00 0.00 C ATOM 979 CG LYS A 129 7.900 -8.145 -9.156 1.00 0.00 C ATOM 980 CD LYS A 129 7.922 -6.656 -9.454 1.00 0.00 C ATOM 981 CE LYS A 129 7.367 -5.847 -8.291 1.00 0.00 C ATOM 982 NZ LYS A 129 5.905 -5.604 -8.432 1.00 0.00 N ATOM 0 H LYS A 129 6.295 -10.718 -7.637 1.00 0.00 H new ATOM 0 HA LYS A 129 6.180 -7.828 -7.221 1.00 0.00 H new ATOM 0 HB2 LYS A 129 6.503 -9.718 -9.542 1.00 0.00 H new ATOM 0 HB3 LYS A 129 5.880 -8.110 -9.859 1.00 0.00 H new ATOM 0 HG2 LYS A 129 8.356 -8.329 -8.183 1.00 0.00 H new ATOM 0 HG3 LYS A 129 8.501 -8.674 -9.896 1.00 0.00 H new ATOM 0 HD2 LYS A 129 8.944 -6.341 -9.663 1.00 0.00 H new ATOM 0 HD3 LYS A 129 7.337 -6.455 -10.351 1.00 0.00 H new ATOM 0 HE2 LYS A 129 7.559 -6.375 -7.357 1.00 0.00 H new ATOM 0 HE3 LYS A 129 7.890 -4.892 -8.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 5.729 -4.582 -8.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 5.553 -6.088 -9.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 5.410 -5.972 -7.595 1.00 0.00 H new ATOM 996 N ASP A 130 3.691 -9.529 -8.601 1.00 0.00 N ATOM 997 CA ASP A 130 2.249 -9.520 -8.819 1.00 0.00 C ATOM 998 C ASP A 130 1.504 -9.251 -7.515 1.00 0.00 C ATOM 999 O ASP A 130 0.549 -8.476 -7.485 1.00 0.00 O ATOM 1000 CB ASP A 130 1.794 -10.853 -9.415 1.00 0.00 C ATOM 1001 CG ASP A 130 2.603 -11.249 -10.634 1.00 0.00 C ATOM 1002 OD1 ASP A 130 2.571 -10.503 -11.635 1.00 0.00 O ATOM 1003 OD2 ASP A 130 3.269 -12.304 -10.587 1.00 0.00 O ATOM 0 H ASP A 130 4.171 -10.342 -8.988 1.00 0.00 H new ATOM 0 HA ASP A 130 2.017 -8.719 -9.521 1.00 0.00 H new ATOM 0 HB2 ASP A 130 1.877 -11.633 -8.658 1.00 0.00 H new ATOM 0 HB3 ASP A 130 0.741 -10.785 -9.688 1.00 0.00 H new ATOM 1008 N GLN A 131 1.948 -9.897 -6.442 1.00 0.00 N ATOM 1009 CA GLN A 131 1.321 -9.728 -5.136 1.00 0.00 C ATOM 1010 C GLN A 131 1.270 -8.255 -4.743 1.00 0.00 C ATOM 1011 O GLN A 131 0.266 -7.778 -4.216 1.00 0.00 O ATOM 1012 CB GLN A 131 2.082 -10.525 -4.075 1.00 0.00 C ATOM 1013 CG GLN A 131 1.667 -11.986 -3.998 1.00 0.00 C ATOM 1014 CD GLN A 131 2.407 -12.746 -2.915 1.00 0.00 C ATOM 1015 OE1 GLN A 131 1.813 -13.531 -2.175 1.00 0.00 O ATOM 1016 NE2 GLN A 131 3.711 -12.517 -2.815 1.00 0.00 N ATOM 0 H GLN A 131 2.738 -10.542 -6.451 1.00 0.00 H new ATOM 0 HA GLN A 131 0.300 -10.104 -5.200 1.00 0.00 H new ATOM 0 HB2 GLN A 131 3.150 -10.470 -4.287 1.00 0.00 H new ATOM 0 HB3 GLN A 131 1.926 -10.060 -3.102 1.00 0.00 H new ATOM 0 HG2 GLN A 131 0.595 -12.046 -3.811 1.00 0.00 H new ATOM 0 HG3 GLN A 131 1.850 -12.463 -4.961 1.00 0.00 H new ATOM 0 HE21 GLN A 131 4.163 -11.858 -3.449 1.00 0.00 H new ATOM 0 HE22 GLN A 131 4.261 -13.000 -2.104 1.00 0.00 H new ATOM 1025 N ALA A 132 2.360 -7.541 -5.003 1.00 0.00 N ATOM 1026 CA ALA A 132 2.439 -6.122 -4.678 1.00 0.00 C ATOM 1027 C ALA A 132 1.479 -5.307 -5.539 1.00 0.00 C ATOM 1028 O ALA A 132 0.820 -4.389 -5.051 1.00 0.00 O ATOM 1029 CB ALA A 132 3.864 -5.619 -4.853 1.00 0.00 C ATOM 0 H ALA A 132 3.201 -7.922 -5.438 1.00 0.00 H new ATOM 0 HA ALA A 132 2.146 -5.997 -3.635 1.00 0.00 H new ATOM 0 HB1 ALA A 132 3.908 -4.558 -4.607 1.00 0.00 H new ATOM 0 HB2 ALA A 132 4.529 -6.173 -4.191 1.00 0.00 H new ATOM 0 HB3 ALA A 132 4.177 -5.765 -5.887 1.00 0.00 H new ATOM 1035 N ARG A 133 1.405 -5.650 -6.821 1.00 0.00 N ATOM 1036 CA ARG A 133 0.527 -4.949 -7.749 1.00 0.00 C ATOM 1037 C ARG A 133 -0.901 -4.899 -7.215 1.00 0.00 C ATOM 1038 O ARG A 133 -1.548 -3.852 -7.242 1.00 0.00 O ATOM 1039 CB ARG A 133 0.548 -5.631 -9.118 1.00 0.00 C ATOM 1040 CG ARG A 133 -0.238 -4.884 -10.183 1.00 0.00 C ATOM 1041 CD ARG A 133 0.343 -5.116 -11.569 1.00 0.00 C ATOM 1042 NE ARG A 133 -0.207 -4.189 -12.555 1.00 0.00 N ATOM 1043 CZ ARG A 133 0.214 -4.120 -13.813 1.00 0.00 C ATOM 1044 NH1 ARG A 133 1.183 -4.920 -14.237 1.00 0.00 N ATOM 1045 NH2 ARG A 133 -0.336 -3.250 -14.651 1.00 0.00 N ATOM 0 H ARG A 133 1.942 -6.409 -7.240 1.00 0.00 H new ATOM 0 HA ARG A 133 0.892 -3.927 -7.854 1.00 0.00 H new ATOM 0 HB2 ARG A 133 1.582 -5.734 -9.447 1.00 0.00 H new ATOM 0 HB3 ARG A 133 0.143 -6.638 -9.019 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -1.278 -5.209 -10.164 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -0.233 -3.817 -9.959 1.00 0.00 H new ATOM 0 HD2 ARG A 133 1.427 -5.004 -11.531 1.00 0.00 H new ATOM 0 HD3 ARG A 133 0.139 -6.140 -11.881 1.00 0.00 H new ATOM 0 HE ARG A 133 -0.955 -3.561 -12.262 1.00 0.00 H new ATOM 0 HH11 ARG A 133 1.607 -5.591 -13.597 1.00 0.00 H new ATOM 0 HH12 ARG A 133 1.504 -4.864 -15.204 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -1.082 -2.634 -14.329 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -0.012 -3.198 -15.617 1.00 0.00 H new ATOM 1059 N GLN A 134 -1.386 -6.038 -6.731 1.00 0.00 N ATOM 1060 CA GLN A 134 -2.738 -6.124 -6.192 1.00 0.00 C ATOM 1061 C GLN A 134 -2.888 -5.244 -4.955 1.00 0.00 C ATOM 1062 O GLN A 134 -3.702 -4.322 -4.933 1.00 0.00 O ATOM 1063 CB GLN A 134 -3.080 -7.574 -5.845 1.00 0.00 C ATOM 1064 CG GLN A 134 -4.572 -7.866 -5.851 1.00 0.00 C ATOM 1065 CD GLN A 134 -4.877 -9.349 -5.776 1.00 0.00 C ATOM 1066 OE1 GLN A 134 -3.975 -10.184 -5.839 1.00 0.00 O ATOM 1067 NE2 GLN A 134 -6.155 -9.684 -5.642 1.00 0.00 N ATOM 0 H GLN A 134 -0.863 -6.913 -6.701 1.00 0.00 H new ATOM 0 HA GLN A 134 -3.430 -5.767 -6.955 1.00 0.00 H new ATOM 0 HB2 GLN A 134 -2.586 -8.235 -6.557 1.00 0.00 H new ATOM 0 HB3 GLN A 134 -2.677 -7.808 -4.860 1.00 0.00 H new ATOM 0 HG2 GLN A 134 -5.041 -7.359 -5.007 1.00 0.00 H new ATOM 0 HG3 GLN A 134 -5.015 -7.453 -6.757 1.00 0.00 H new ATOM 0 HE21 GLN A 134 -6.870 -8.958 -5.594 1.00 0.00 H new ATOM 0 HE22 GLN A 134 -6.421 -10.667 -5.587 1.00 0.00 H new ATOM 1076 N ALA A 135 -2.097 -5.536 -3.928 1.00 0.00 N ATOM 1077 CA ALA A 135 -2.141 -4.770 -2.688 1.00 0.00 C ATOM 1078 C ALA A 135 -2.385 -3.291 -2.965 1.00 0.00 C ATOM 1079 O ALA A 135 -3.243 -2.665 -2.341 1.00 0.00 O ATOM 1080 CB ALA A 135 -0.849 -4.957 -1.907 1.00 0.00 C ATOM 0 H ALA A 135 -1.418 -6.297 -3.930 1.00 0.00 H new ATOM 0 HA ALA A 135 -2.972 -5.142 -2.089 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -0.895 -4.380 -0.984 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -0.717 -6.012 -1.669 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -0.007 -4.613 -2.508 1.00 0.00 H new ATOM 1086 N LEU A 136 -1.626 -2.737 -3.904 1.00 0.00 N ATOM 1087 CA LEU A 136 -1.759 -1.329 -4.264 1.00 0.00 C ATOM 1088 C LEU A 136 -3.001 -1.101 -5.119 1.00 0.00 C ATOM 1089 O LEU A 136 -3.813 -0.222 -4.831 1.00 0.00 O ATOM 1090 CB LEU A 136 -0.514 -0.854 -5.015 1.00 0.00 C ATOM 1091 CG LEU A 136 -0.634 0.493 -5.728 1.00 0.00 C ATOM 1092 CD1 LEU A 136 0.744 1.058 -6.036 1.00 0.00 C ATOM 1093 CD2 LEU A 136 -1.451 0.350 -7.004 1.00 0.00 C ATOM 0 H LEU A 136 -0.912 -3.241 -4.430 1.00 0.00 H new ATOM 0 HA LEU A 136 -1.863 -0.753 -3.345 1.00 0.00 H new ATOM 0 HB2 LEU A 136 0.313 -0.795 -4.307 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -0.248 -1.611 -5.753 1.00 0.00 H new ATOM 0 HG LEU A 136 -1.150 1.188 -5.066 1.00 0.00 H new ATOM 0 HD11 LEU A 136 0.639 2.017 -6.543 1.00 0.00 H new ATOM 0 HD12 LEU A 136 1.296 1.198 -5.107 1.00 0.00 H new ATOM 0 HD13 LEU A 136 1.286 0.365 -6.679 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -1.526 1.319 -7.498 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -0.963 -0.361 -7.671 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -2.450 -0.010 -6.758 1.00 0.00 H new ATOM 1105 N ASP A 137 -3.143 -1.900 -6.171 1.00 0.00 N ATOM 1106 CA ASP A 137 -4.288 -1.788 -7.068 1.00 0.00 C ATOM 1107 C ASP A 137 -5.592 -1.724 -6.278 1.00 0.00 C ATOM 1108 O ASP A 137 -6.620 -1.281 -6.791 1.00 0.00 O ATOM 1109 CB ASP A 137 -4.321 -2.970 -8.037 1.00 0.00 C ATOM 1110 CG ASP A 137 -3.489 -2.723 -9.280 1.00 0.00 C ATOM 1111 OD1 ASP A 137 -3.740 -1.714 -9.972 1.00 0.00 O ATOM 1112 OD2 ASP A 137 -2.586 -3.539 -9.560 1.00 0.00 O ATOM 0 H ASP A 137 -2.480 -2.632 -6.424 1.00 0.00 H new ATOM 0 HA ASP A 137 -4.184 -0.865 -7.638 1.00 0.00 H new ATOM 0 HB2 ASP A 137 -3.955 -3.862 -7.530 1.00 0.00 H new ATOM 0 HB3 ASP A 137 -5.353 -3.169 -8.327 1.00 0.00 H new ATOM 1117 N LYS A 138 -5.543 -2.172 -5.028 1.00 0.00 N ATOM 1118 CA LYS A 138 -6.719 -2.166 -4.167 1.00 0.00 C ATOM 1119 C LYS A 138 -6.568 -1.143 -3.045 1.00 0.00 C ATOM 1120 O LYS A 138 -7.362 -0.208 -2.933 1.00 0.00 O ATOM 1121 CB LYS A 138 -6.949 -3.558 -3.574 1.00 0.00 C ATOM 1122 CG LYS A 138 -7.225 -4.626 -4.618 1.00 0.00 C ATOM 1123 CD LYS A 138 -8.615 -4.478 -5.213 1.00 0.00 C ATOM 1124 CE LYS A 138 -9.663 -5.184 -4.365 1.00 0.00 C ATOM 1125 NZ LYS A 138 -10.177 -4.307 -3.277 1.00 0.00 N ATOM 0 H LYS A 138 -4.701 -2.544 -4.589 1.00 0.00 H new ATOM 0 HA LYS A 138 -7.581 -1.889 -4.774 1.00 0.00 H new ATOM 0 HB2 LYS A 138 -6.072 -3.846 -2.995 1.00 0.00 H new ATOM 0 HB3 LYS A 138 -7.789 -3.514 -2.881 1.00 0.00 H new ATOM 0 HG2 LYS A 138 -6.480 -4.562 -5.411 1.00 0.00 H new ATOM 0 HG3 LYS A 138 -7.125 -5.613 -4.166 1.00 0.00 H new ATOM 0 HD2 LYS A 138 -8.865 -3.420 -5.297 1.00 0.00 H new ATOM 0 HD3 LYS A 138 -8.625 -4.889 -6.223 1.00 0.00 H new ATOM 0 HE2 LYS A 138 -10.491 -5.500 -4.999 1.00 0.00 H new ATOM 0 HE3 LYS A 138 -9.232 -6.086 -3.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 -11.208 -4.419 -3.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 -9.731 -4.573 -2.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 -9.952 -3.315 -3.495 1.00 0.00 H new ATOM 1139 N LEU A 139 -5.544 -1.325 -2.219 1.00 0.00 N ATOM 1140 CA LEU A 139 -5.287 -0.416 -1.107 1.00 0.00 C ATOM 1141 C LEU A 139 -5.286 1.034 -1.579 1.00 0.00 C ATOM 1142 O LEU A 139 -5.737 1.929 -0.865 1.00 0.00 O ATOM 1143 CB LEU A 139 -3.948 -0.751 -0.448 1.00 0.00 C ATOM 1144 CG LEU A 139 -3.875 -2.095 0.278 1.00 0.00 C ATOM 1145 CD1 LEU A 139 -2.427 -2.512 0.484 1.00 0.00 C ATOM 1146 CD2 LEU A 139 -4.606 -2.022 1.610 1.00 0.00 C ATOM 0 H LEU A 139 -4.878 -2.094 -2.298 1.00 0.00 H new ATOM 0 HA LEU A 139 -6.086 -0.540 -0.376 1.00 0.00 H new ATOM 0 HB2 LEU A 139 -3.174 -0.732 -1.215 1.00 0.00 H new ATOM 0 HB3 LEU A 139 -3.709 0.038 0.265 1.00 0.00 H new ATOM 0 HG LEU A 139 -4.364 -2.848 -0.341 1.00 0.00 H new ATOM 0 HD11 LEU A 139 -2.395 -3.470 1.002 1.00 0.00 H new ATOM 0 HD12 LEU A 139 -1.934 -2.606 -0.484 1.00 0.00 H new ATOM 0 HD13 LEU A 139 -1.913 -1.759 1.082 1.00 0.00 H new ATOM 0 HD21 LEU A 139 -4.544 -2.987 2.113 1.00 0.00 H new ATOM 0 HD22 LEU A 139 -4.147 -1.257 2.236 1.00 0.00 H new ATOM 0 HD23 LEU A 139 -5.652 -1.770 1.437 1.00 0.00 H new ATOM 1158 N ASN A 140 -4.778 1.258 -2.786 1.00 0.00 N ATOM 1159 CA ASN A 140 -4.720 2.601 -3.354 1.00 0.00 C ATOM 1160 C ASN A 140 -6.066 3.306 -3.222 1.00 0.00 C ATOM 1161 O ASN A 140 -6.136 4.534 -3.202 1.00 0.00 O ATOM 1162 CB ASN A 140 -4.307 2.537 -4.826 1.00 0.00 C ATOM 1163 CG ASN A 140 -4.678 3.796 -5.585 1.00 0.00 C ATOM 1164 OD1 ASN A 140 -5.856 4.086 -5.790 1.00 0.00 O ATOM 1165 ND2 ASN A 140 -3.670 4.551 -6.007 1.00 0.00 N ATOM 0 H ASN A 140 -4.401 0.528 -3.390 1.00 0.00 H new ATOM 0 HA ASN A 140 -3.975 3.172 -2.799 1.00 0.00 H new ATOM 0 HB2 ASN A 140 -3.230 2.380 -4.892 1.00 0.00 H new ATOM 0 HB3 ASN A 140 -4.784 1.678 -5.297 1.00 0.00 H new ATOM 0 HD21 ASN A 140 -3.858 5.410 -6.524 1.00 0.00 H new ATOM 0 HD22 ASN A 140 -2.708 4.272 -5.814 1.00 0.00 H new ATOM 1172 N GLY A 141 -7.134 2.519 -3.131 1.00 0.00 N ATOM 1173 CA GLY A 141 -8.464 3.085 -3.002 1.00 0.00 C ATOM 1174 C GLY A 141 -9.287 2.393 -1.933 1.00 0.00 C ATOM 1175 O GLY A 141 -10.495 2.610 -1.832 1.00 0.00 O ATOM 0 H GLY A 141 -7.102 1.500 -3.144 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -8.383 4.146 -2.764 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -8.981 3.012 -3.959 1.00 0.00 H new ATOM 1179 N PHE A 142 -8.633 1.557 -1.134 1.00 0.00 N ATOM 1180 CA PHE A 142 -9.313 0.828 -0.069 1.00 0.00 C ATOM 1181 C PHE A 142 -9.785 1.780 1.025 1.00 0.00 C ATOM 1182 O PHE A 142 -8.978 2.324 1.779 1.00 0.00 O ATOM 1183 CB PHE A 142 -8.384 -0.232 0.526 1.00 0.00 C ATOM 1184 CG PHE A 142 -9.039 -1.080 1.579 1.00 0.00 C ATOM 1185 CD1 PHE A 142 -9.367 -0.544 2.814 1.00 0.00 C ATOM 1186 CD2 PHE A 142 -9.327 -2.412 1.333 1.00 0.00 C ATOM 1187 CE1 PHE A 142 -9.969 -1.322 3.784 1.00 0.00 C ATOM 1188 CE2 PHE A 142 -9.929 -3.196 2.300 1.00 0.00 C ATOM 1189 CZ PHE A 142 -10.252 -2.649 3.527 1.00 0.00 C ATOM 0 H PHE A 142 -7.633 1.367 -1.203 1.00 0.00 H new ATOM 0 HA PHE A 142 -10.185 0.336 -0.499 1.00 0.00 H new ATOM 0 HB2 PHE A 142 -8.021 -0.877 -0.275 1.00 0.00 H new ATOM 0 HB3 PHE A 142 -7.513 0.261 0.958 1.00 0.00 H new ATOM 0 HD1 PHE A 142 -9.150 0.494 3.021 1.00 0.00 H new ATOM 0 HD2 PHE A 142 -9.079 -2.844 0.375 1.00 0.00 H new ATOM 0 HE1 PHE A 142 -10.218 -0.893 4.743 1.00 0.00 H new ATOM 0 HE2 PHE A 142 -10.146 -4.234 2.097 1.00 0.00 H new ATOM 0 HZ PHE A 142 -10.725 -3.258 4.283 1.00 0.00 H new ATOM 1199 N GLN A 143 -11.097 1.977 1.105 1.00 0.00 N ATOM 1200 CA GLN A 143 -11.676 2.865 2.107 1.00 0.00 C ATOM 1201 C GLN A 143 -11.731 2.184 3.471 1.00 0.00 C ATOM 1202 O GLN A 143 -12.384 1.154 3.637 1.00 0.00 O ATOM 1203 CB GLN A 143 -13.081 3.298 1.684 1.00 0.00 C ATOM 1204 CG GLN A 143 -13.484 4.662 2.219 1.00 0.00 C ATOM 1205 CD GLN A 143 -14.961 4.949 2.032 1.00 0.00 C ATOM 1206 OE1 GLN A 143 -15.342 5.800 1.227 1.00 0.00 O ATOM 1207 NE2 GLN A 143 -15.802 4.240 2.776 1.00 0.00 N ATOM 0 H GLN A 143 -11.779 1.534 0.489 1.00 0.00 H new ATOM 0 HA GLN A 143 -11.040 3.746 2.186 1.00 0.00 H new ATOM 0 HB2 GLN A 143 -13.135 3.313 0.595 1.00 0.00 H new ATOM 0 HB3 GLN A 143 -13.800 2.555 2.028 1.00 0.00 H new ATOM 0 HG2 GLN A 143 -13.238 4.719 3.279 1.00 0.00 H new ATOM 0 HG3 GLN A 143 -12.901 5.433 1.714 1.00 0.00 H new ATOM 0 HE21 GLN A 143 -15.443 3.545 3.430 1.00 0.00 H new ATOM 0 HE22 GLN A 143 -16.807 4.390 2.693 1.00 0.00 H new ATOM 1216 N LEU A 144 -11.040 2.767 4.444 1.00 0.00 N ATOM 1217 CA LEU A 144 -11.009 2.217 5.795 1.00 0.00 C ATOM 1218 C LEU A 144 -11.254 3.307 6.833 1.00 0.00 C ATOM 1219 O LEU A 144 -10.462 4.239 6.967 1.00 0.00 O ATOM 1220 CB LEU A 144 -9.664 1.538 6.060 1.00 0.00 C ATOM 1221 CG LEU A 144 -9.639 0.519 7.200 1.00 0.00 C ATOM 1222 CD1 LEU A 144 -8.455 -0.424 7.047 1.00 0.00 C ATOM 1223 CD2 LEU A 144 -9.589 1.226 8.546 1.00 0.00 C ATOM 0 H LEU A 144 -10.494 3.620 4.323 1.00 0.00 H new ATOM 0 HA LEU A 144 -11.805 1.477 5.877 1.00 0.00 H new ATOM 0 HB2 LEU A 144 -9.346 1.038 5.145 1.00 0.00 H new ATOM 0 HB3 LEU A 144 -8.926 2.311 6.274 1.00 0.00 H new ATOM 0 HG LEU A 144 -10.555 -0.070 7.155 1.00 0.00 H new ATOM 0 HD11 LEU A 144 -8.453 -1.142 7.867 1.00 0.00 H new ATOM 0 HD12 LEU A 144 -8.534 -0.956 6.099 1.00 0.00 H new ATOM 0 HD13 LEU A 144 -7.528 0.150 7.065 1.00 0.00 H new ATOM 0 HD21 LEU A 144 -9.572 0.485 9.346 1.00 0.00 H new ATOM 0 HD22 LEU A 144 -8.690 1.840 8.601 1.00 0.00 H new ATOM 0 HD23 LEU A 144 -10.469 1.859 8.657 1.00 0.00 H new ATOM 1235 N GLU A 145 -12.356 3.182 7.567 1.00 0.00 N ATOM 1236 CA GLU A 145 -12.704 4.157 8.594 1.00 0.00 C ATOM 1237 C GLU A 145 -12.926 5.537 7.981 1.00 0.00 C ATOM 1238 O GLU A 145 -12.580 6.555 8.577 1.00 0.00 O ATOM 1239 CB GLU A 145 -11.603 4.229 9.654 1.00 0.00 C ATOM 1240 CG GLU A 145 -11.614 3.059 10.623 1.00 0.00 C ATOM 1241 CD GLU A 145 -11.098 3.435 11.998 1.00 0.00 C ATOM 1242 OE1 GLU A 145 -11.734 4.284 12.658 1.00 0.00 O ATOM 1243 OE2 GLU A 145 -10.059 2.882 12.414 1.00 0.00 O ATOM 0 H GLU A 145 -13.022 2.416 7.469 1.00 0.00 H new ATOM 0 HA GLU A 145 -13.632 3.834 9.066 1.00 0.00 H new ATOM 0 HB2 GLU A 145 -10.634 4.269 9.157 1.00 0.00 H new ATOM 0 HB3 GLU A 145 -11.712 5.157 10.216 1.00 0.00 H new ATOM 0 HG2 GLU A 145 -12.631 2.676 10.713 1.00 0.00 H new ATOM 0 HG3 GLU A 145 -11.004 2.251 10.218 1.00 0.00 H new ATOM 1250 N ASN A 146 -13.506 5.560 6.785 1.00 0.00 N ATOM 1251 CA ASN A 146 -13.774 6.814 6.090 1.00 0.00 C ATOM 1252 C ASN A 146 -12.476 7.465 5.623 1.00 0.00 C ATOM 1253 O ASN A 146 -12.392 8.687 5.497 1.00 0.00 O ATOM 1254 CB ASN A 146 -14.539 7.774 7.004 1.00 0.00 C ATOM 1255 CG ASN A 146 -15.674 7.091 7.740 1.00 0.00 C ATOM 1256 OD1 ASN A 146 -15.726 7.100 8.970 1.00 0.00 O ATOM 1257 ND2 ASN A 146 -16.592 6.493 6.989 1.00 0.00 N ATOM 0 H ASN A 146 -13.799 4.725 6.277 1.00 0.00 H new ATOM 0 HA ASN A 146 -14.384 6.592 5.214 1.00 0.00 H new ATOM 0 HB2 ASN A 146 -13.850 8.209 7.728 1.00 0.00 H new ATOM 0 HB3 ASN A 146 -14.938 8.596 6.410 1.00 0.00 H new ATOM 0 HD21 ASN A 146 -17.379 6.017 7.429 1.00 0.00 H new ATOM 0 HD22 ASN A 146 -16.510 6.510 5.972 1.00 0.00 H new ATOM 1264 N PHE A 147 -11.466 6.640 5.365 1.00 0.00 N ATOM 1265 CA PHE A 147 -10.172 7.135 4.912 1.00 0.00 C ATOM 1266 C PHE A 147 -9.678 6.340 3.706 1.00 0.00 C ATOM 1267 O PHE A 147 -9.242 5.196 3.838 1.00 0.00 O ATOM 1268 CB PHE A 147 -9.146 7.055 6.044 1.00 0.00 C ATOM 1269 CG PHE A 147 -9.164 8.250 6.955 1.00 0.00 C ATOM 1270 CD1 PHE A 147 -8.550 9.433 6.579 1.00 0.00 C ATOM 1271 CD2 PHE A 147 -9.796 8.188 8.187 1.00 0.00 C ATOM 1272 CE1 PHE A 147 -8.565 10.535 7.415 1.00 0.00 C ATOM 1273 CE2 PHE A 147 -9.815 9.286 9.026 1.00 0.00 C ATOM 1274 CZ PHE A 147 -9.198 10.460 8.640 1.00 0.00 C ATOM 0 H PHE A 147 -11.519 5.626 5.462 1.00 0.00 H new ATOM 0 HA PHE A 147 -10.294 8.177 4.614 1.00 0.00 H new ATOM 0 HB2 PHE A 147 -9.335 6.157 6.632 1.00 0.00 H new ATOM 0 HB3 PHE A 147 -8.150 6.951 5.614 1.00 0.00 H new ATOM 0 HD1 PHE A 147 -8.054 9.496 5.622 1.00 0.00 H new ATOM 0 HD2 PHE A 147 -10.279 7.272 8.495 1.00 0.00 H new ATOM 0 HE1 PHE A 147 -8.083 11.452 7.110 1.00 0.00 H new ATOM 0 HE2 PHE A 147 -10.312 9.226 9.983 1.00 0.00 H new ATOM 0 HZ PHE A 147 -9.211 11.318 9.295 1.00 0.00 H new ATOM 1284 N THR A 148 -9.749 6.955 2.530 1.00 0.00 N ATOM 1285 CA THR A 148 -9.311 6.307 1.300 1.00 0.00 C ATOM 1286 C THR A 148 -7.797 6.131 1.280 1.00 0.00 C ATOM 1287 O THR A 148 -7.059 7.056 0.939 1.00 0.00 O ATOM 1288 CB THR A 148 -9.740 7.110 0.058 1.00 0.00 C ATOM 1289 OG1 THR A 148 -11.117 7.487 0.170 1.00 0.00 O ATOM 1290 CG2 THR A 148 -9.534 6.296 -1.210 1.00 0.00 C ATOM 0 H THR A 148 -10.106 7.902 2.403 1.00 0.00 H new ATOM 0 HA THR A 148 -9.788 5.327 1.272 1.00 0.00 H new ATOM 0 HB THR A 148 -9.122 8.006 0.000 1.00 0.00 H new ATOM 0 HG1 THR A 148 -11.382 7.999 -0.623 1.00 0.00 H new ATOM 0 HG21 THR A 148 -9.844 6.884 -2.074 1.00 0.00 H new ATOM 0 HG22 THR A 148 -8.480 6.035 -1.308 1.00 0.00 H new ATOM 0 HG23 THR A 148 -10.130 5.385 -1.158 1.00 0.00 H new ATOM 1298 N LEU A 149 -7.340 4.939 1.646 1.00 0.00 N ATOM 1299 CA LEU A 149 -5.912 4.641 1.669 1.00 0.00 C ATOM 1300 C LEU A 149 -5.266 4.970 0.328 1.00 0.00 C ATOM 1301 O LEU A 149 -5.760 4.571 -0.727 1.00 0.00 O ATOM 1302 CB LEU A 149 -5.684 3.168 2.011 1.00 0.00 C ATOM 1303 CG LEU A 149 -6.295 2.680 3.325 1.00 0.00 C ATOM 1304 CD1 LEU A 149 -6.203 1.166 3.427 1.00 0.00 C ATOM 1305 CD2 LEU A 149 -5.605 3.339 4.511 1.00 0.00 C ATOM 0 H LEU A 149 -7.937 4.163 1.931 1.00 0.00 H new ATOM 0 HA LEU A 149 -5.448 5.261 2.436 1.00 0.00 H new ATOM 0 HB2 LEU A 149 -6.086 2.561 1.200 1.00 0.00 H new ATOM 0 HB3 LEU A 149 -4.610 2.986 2.044 1.00 0.00 H new ATOM 0 HG LEU A 149 -7.348 2.961 3.340 1.00 0.00 H new ATOM 0 HD11 LEU A 149 -6.643 0.837 4.369 1.00 0.00 H new ATOM 0 HD12 LEU A 149 -6.743 0.712 2.596 1.00 0.00 H new ATOM 0 HD13 LEU A 149 -5.157 0.862 3.389 1.00 0.00 H new ATOM 0 HD21 LEU A 149 -6.053 2.980 5.438 1.00 0.00 H new ATOM 0 HD22 LEU A 149 -4.544 3.089 4.500 1.00 0.00 H new ATOM 0 HD23 LEU A 149 -5.723 4.421 4.446 1.00 0.00 H new ATOM 1317 N LYS A 150 -4.156 5.700 0.375 1.00 0.00 N ATOM 1318 CA LYS A 150 -3.438 6.081 -0.836 1.00 0.00 C ATOM 1319 C LYS A 150 -2.117 5.327 -0.945 1.00 0.00 C ATOM 1320 O LYS A 150 -1.261 5.425 -0.066 1.00 0.00 O ATOM 1321 CB LYS A 150 -3.180 7.589 -0.847 1.00 0.00 C ATOM 1322 CG LYS A 150 -4.449 8.424 -0.825 1.00 0.00 C ATOM 1323 CD LYS A 150 -4.148 9.900 -1.023 1.00 0.00 C ATOM 1324 CE LYS A 150 -5.306 10.619 -1.699 1.00 0.00 C ATOM 1325 NZ LYS A 150 -5.176 10.605 -3.183 1.00 0.00 N ATOM 0 H LYS A 150 -3.734 6.040 1.239 1.00 0.00 H new ATOM 0 HA LYS A 150 -4.057 5.819 -1.694 1.00 0.00 H new ATOM 0 HB2 LYS A 150 -2.568 7.851 0.016 1.00 0.00 H new ATOM 0 HB3 LYS A 150 -2.603 7.844 -1.736 1.00 0.00 H new ATOM 0 HG2 LYS A 150 -5.125 8.081 -1.608 1.00 0.00 H new ATOM 0 HG3 LYS A 150 -4.964 8.281 0.125 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -3.944 10.364 -0.058 1.00 0.00 H new ATOM 0 HD3 LYS A 150 -3.247 10.011 -1.627 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -6.245 10.146 -1.412 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -5.348 11.650 -1.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -5.984 11.104 -3.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 -4.292 11.079 -3.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 -5.161 9.622 -3.521 1.00 0.00 H new ATOM 1339 N VAL A 151 -1.957 4.576 -2.030 1.00 0.00 N ATOM 1340 CA VAL A 151 -0.738 3.808 -2.254 1.00 0.00 C ATOM 1341 C VAL A 151 -0.013 4.281 -3.509 1.00 0.00 C ATOM 1342 O VAL A 151 -0.642 4.703 -4.480 1.00 0.00 O ATOM 1343 CB VAL A 151 -1.039 2.303 -2.386 1.00 0.00 C ATOM 1344 CG1 VAL A 151 0.253 1.504 -2.462 1.00 0.00 C ATOM 1345 CG2 VAL A 151 -1.902 1.829 -1.226 1.00 0.00 C ATOM 0 H VAL A 151 -2.656 4.483 -2.767 1.00 0.00 H new ATOM 0 HA VAL A 151 -0.099 3.969 -1.386 1.00 0.00 H new ATOM 0 HB VAL A 151 -1.592 2.141 -3.311 1.00 0.00 H new ATOM 0 HG11 VAL A 151 0.020 0.443 -2.555 1.00 0.00 H new ATOM 0 HG12 VAL A 151 0.830 1.826 -3.329 1.00 0.00 H new ATOM 0 HG13 VAL A 151 0.837 1.669 -1.556 1.00 0.00 H new ATOM 0 HG21 VAL A 151 -2.105 0.764 -1.335 1.00 0.00 H new ATOM 0 HG22 VAL A 151 -1.377 2.004 -0.287 1.00 0.00 H new ATOM 0 HG23 VAL A 151 -2.843 2.379 -1.224 1.00 0.00 H new ATOM 1355 N ALA A 152 1.313 4.209 -3.483 1.00 0.00 N ATOM 1356 CA ALA A 152 2.124 4.628 -4.619 1.00 0.00 C ATOM 1357 C ALA A 152 3.474 3.918 -4.622 1.00 0.00 C ATOM 1358 O ALA A 152 4.095 3.740 -3.574 1.00 0.00 O ATOM 1359 CB ALA A 152 2.320 6.137 -4.600 1.00 0.00 C ATOM 0 H ALA A 152 1.849 3.864 -2.687 1.00 0.00 H new ATOM 0 HA ALA A 152 1.596 4.352 -5.532 1.00 0.00 H new ATOM 0 HB1 ALA A 152 2.928 6.436 -5.454 1.00 0.00 H new ATOM 0 HB2 ALA A 152 1.350 6.631 -4.654 1.00 0.00 H new ATOM 0 HB3 ALA A 152 2.823 6.427 -3.678 1.00 0.00 H new ATOM 1365 N TYR A 153 3.921 3.514 -5.806 1.00 0.00 N ATOM 1366 CA TYR A 153 5.196 2.820 -5.944 1.00 0.00 C ATOM 1367 C TYR A 153 6.354 3.715 -5.513 1.00 0.00 C ATOM 1368 O TYR A 153 6.730 4.647 -6.225 1.00 0.00 O ATOM 1369 CB TYR A 153 5.399 2.366 -7.391 1.00 0.00 C ATOM 1370 CG TYR A 153 4.728 1.050 -7.713 1.00 0.00 C ATOM 1371 CD1 TYR A 153 5.273 -0.153 -7.282 1.00 0.00 C ATOM 1372 CD2 TYR A 153 3.549 1.010 -8.447 1.00 0.00 C ATOM 1373 CE1 TYR A 153 4.664 -1.358 -7.575 1.00 0.00 C ATOM 1374 CE2 TYR A 153 2.932 -0.190 -8.743 1.00 0.00 C ATOM 1375 CZ TYR A 153 3.494 -1.371 -8.305 1.00 0.00 C ATOM 1376 OH TYR A 153 2.883 -2.569 -8.597 1.00 0.00 O ATOM 0 H TYR A 153 3.420 3.655 -6.683 1.00 0.00 H new ATOM 0 HA TYR A 153 5.176 1.945 -5.294 1.00 0.00 H new ATOM 0 HB2 TYR A 153 5.014 3.134 -8.061 1.00 0.00 H new ATOM 0 HB3 TYR A 153 6.467 2.277 -7.589 1.00 0.00 H new ATOM 0 HD1 TYR A 153 6.188 -0.146 -6.708 1.00 0.00 H new ATOM 0 HD2 TYR A 153 3.107 1.933 -8.792 1.00 0.00 H new ATOM 0 HE1 TYR A 153 5.102 -2.285 -7.234 1.00 0.00 H new ATOM 0 HE2 TYR A 153 2.015 -0.203 -9.314 1.00 0.00 H new ATOM 0 HH TYR A 153 2.069 -2.403 -9.117 1.00 0.00 H new ATOM 1386 N ILE A 154 6.913 3.425 -4.343 1.00 0.00 N ATOM 1387 CA ILE A 154 8.029 4.202 -3.817 1.00 0.00 C ATOM 1388 C ILE A 154 9.183 4.250 -4.812 1.00 0.00 C ATOM 1389 O ILE A 154 9.543 3.249 -5.433 1.00 0.00 O ATOM 1390 CB ILE A 154 8.539 3.623 -2.484 1.00 0.00 C ATOM 1391 CG1 ILE A 154 7.434 3.670 -1.427 1.00 0.00 C ATOM 1392 CG2 ILE A 154 9.766 4.387 -2.010 1.00 0.00 C ATOM 1393 CD1 ILE A 154 7.877 3.178 -0.067 1.00 0.00 C ATOM 0 H ILE A 154 6.612 2.658 -3.742 1.00 0.00 H new ATOM 0 HA ILE A 154 7.657 5.212 -3.647 1.00 0.00 H new ATOM 0 HB ILE A 154 8.822 2.582 -2.641 1.00 0.00 H new ATOM 0 HG12 ILE A 154 7.075 4.695 -1.334 1.00 0.00 H new ATOM 0 HG13 ILE A 154 6.592 3.066 -1.766 1.00 0.00 H new ATOM 0 HG21 ILE A 154 10.115 3.966 -1.067 1.00 0.00 H new ATOM 0 HG22 ILE A 154 10.556 4.307 -2.757 1.00 0.00 H new ATOM 0 HG23 ILE A 154 9.508 5.436 -1.866 1.00 0.00 H new ATOM 0 HD11 ILE A 154 7.043 3.240 0.632 1.00 0.00 H new ATOM 0 HD12 ILE A 154 8.209 2.143 -0.145 1.00 0.00 H new ATOM 0 HD13 ILE A 154 8.699 3.796 0.294 1.00 0.00 H new