USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 751 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 65 CYS SG : rot 180:sc= -1.35 USER MOD Set 1.2: A 70 THR OG1 : rot -108:sc= -1.4 USER MOD Set 1.3: A 106 MET CE :methyl -157:sc= -0.0572 (180deg=-0.412) USER MOD Set 2.1: A 61 THR OG1 : rot 74:sc= 0.911 USER MOD Set 2.2: A 62 HIS : no HD1:sc= -0.479 K(o=0.43,f=-11!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot -90:sc= -0.487 USER MOD Single : A 34 GLN : amide:sc= -0.0516 K(o=-0.052,f=-0.74) USER MOD Single : A 35 ASN : amide:sc= -0.324 K(o=-0.32,f=-2!) USER MOD Single : A 39 SER OG : rot -57:sc= 0.455 USER MOD Single : A 44 LYS NZ :NH3+ -155:sc= -0.117 (180deg=-1.08) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.298! USER MOD Single : A 60 SER OG : rot 40:sc= -0.826 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ -146:sc= 0 (180deg=-1.08) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.0683 K(o=-0.068,f=-0.88) USER MOD Single : A 86 LYS NZ :NH3+ 172:sc=-0.00975 (180deg=-0.117) USER MOD Single : A 92 CYS SG : rot 180:sc= 0 USER MOD Single : A 93 HIS : no HE2:sc= -1.92 K(o=-1.9,f=-4.1!) USER MOD Single : A 95 MET CE :methyl 158:sc= -0.0207 (180deg=-0.301) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -3.82! C(o=-3.8!,f=-7.4!) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 227 N GLU A 18 5.445 18.611 -0.496 1.00 0.00 N ATOM 228 CA GLU A 18 6.560 17.799 -0.022 1.00 0.00 C ATOM 229 C GLU A 18 6.203 16.316 -0.051 1.00 0.00 C ATOM 230 O GLU A 18 7.033 15.472 -0.389 1.00 0.00 O ATOM 231 CB GLU A 18 6.954 18.213 1.397 1.00 0.00 C ATOM 232 CG GLU A 18 7.795 19.477 1.451 1.00 0.00 C ATOM 233 CD GLU A 18 9.266 19.211 1.198 1.00 0.00 C ATOM 234 OE1 GLU A 18 9.930 18.652 2.096 1.00 0.00 O ATOM 235 OE2 GLU A 18 9.753 19.561 0.103 1.00 0.00 O ATOM 0 HA GLU A 18 7.406 17.964 -0.689 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.050 18.363 1.987 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.508 17.398 1.864 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.425 20.186 0.711 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.677 19.946 2.428 1.00 0.00 H new ATOM 242 N LEU A 19 4.962 16.005 0.308 1.00 0.00 N ATOM 243 CA LEU A 19 4.493 14.624 0.324 1.00 0.00 C ATOM 244 C LEU A 19 4.026 14.190 -1.061 1.00 0.00 C ATOM 245 O LEU A 19 4.307 13.077 -1.503 1.00 0.00 O ATOM 246 CB LEU A 19 3.354 14.463 1.333 1.00 0.00 C ATOM 247 CG LEU A 19 3.771 14.282 2.793 1.00 0.00 C ATOM 248 CD1 LEU A 19 4.517 12.970 2.977 1.00 0.00 C ATOM 249 CD2 LEU A 19 4.627 15.454 3.252 1.00 0.00 C ATOM 0 H LEU A 19 4.262 16.691 0.592 1.00 0.00 H new ATOM 0 HA LEU A 19 5.326 13.987 0.621 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.710 15.340 1.266 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.753 13.603 1.038 1.00 0.00 H new ATOM 0 HG LEU A 19 2.871 14.253 3.407 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.806 12.859 4.022 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.871 12.141 2.689 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.410 12.968 2.352 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.915 15.309 4.293 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.522 15.515 2.633 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.058 16.379 3.159 1.00 0.00 H new ATOM 261 N GLY A 20 3.312 15.080 -1.744 1.00 0.00 N ATOM 262 CA GLY A 20 2.819 14.772 -3.074 1.00 0.00 C ATOM 263 C GLY A 20 3.933 14.412 -4.037 1.00 0.00 C ATOM 264 O GLY A 20 3.691 13.800 -5.077 1.00 0.00 O ATOM 0 H GLY A 20 3.066 16.008 -1.400 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.113 13.943 -3.014 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.270 15.630 -3.462 1.00 0.00 H new ATOM 268 N LYS A 21 5.158 14.793 -3.691 1.00 0.00 N ATOM 269 CA LYS A 21 6.315 14.508 -4.531 1.00 0.00 C ATOM 270 C LYS A 21 6.933 13.162 -4.167 1.00 0.00 C ATOM 271 O LYS A 21 7.972 12.780 -4.706 1.00 0.00 O ATOM 272 CB LYS A 21 7.360 15.617 -4.389 1.00 0.00 C ATOM 273 CG LYS A 21 6.944 16.931 -5.027 1.00 0.00 C ATOM 274 CD LYS A 21 7.082 16.885 -6.539 1.00 0.00 C ATOM 275 CE LYS A 21 8.542 16.865 -6.965 1.00 0.00 C ATOM 276 NZ LYS A 21 8.689 16.969 -8.444 1.00 0.00 N ATOM 0 H LYS A 21 5.375 15.301 -2.833 1.00 0.00 H new ATOM 0 HA LYS A 21 5.979 14.465 -5.567 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.559 15.784 -3.330 1.00 0.00 H new ATOM 0 HB3 LYS A 21 8.295 15.284 -4.840 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.911 17.154 -4.762 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.557 17.740 -4.629 1.00 0.00 H new ATOM 0 HD2 LYS A 21 6.577 15.999 -6.925 1.00 0.00 H new ATOM 0 HD3 LYS A 21 6.586 17.751 -6.977 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.071 17.690 -6.488 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.009 15.944 -6.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 9.698 16.952 -8.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 8.206 16.168 -8.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.266 17.860 -8.773 1.00 0.00 H new ATOM 290 N ILE A 22 6.287 12.447 -3.252 1.00 0.00 N ATOM 291 CA ILE A 22 6.772 11.143 -2.819 1.00 0.00 C ATOM 292 C ILE A 22 6.129 10.021 -3.627 1.00 0.00 C ATOM 293 O ILE A 22 6.820 9.229 -4.270 1.00 0.00 O ATOM 294 CB ILE A 22 6.494 10.907 -1.323 1.00 0.00 C ATOM 295 CG1 ILE A 22 7.146 12.006 -0.481 1.00 0.00 C ATOM 296 CG2 ILE A 22 7.002 9.537 -0.899 1.00 0.00 C ATOM 297 CD1 ILE A 22 6.952 11.822 1.008 1.00 0.00 C ATOM 0 H ILE A 22 5.426 12.749 -2.796 1.00 0.00 H new ATOM 0 HA ILE A 22 7.849 11.136 -2.985 1.00 0.00 H new ATOM 0 HB ILE A 22 5.417 10.940 -1.160 1.00 0.00 H new ATOM 0 HG12 ILE A 22 8.214 12.035 -0.699 1.00 0.00 H new ATOM 0 HG13 ILE A 22 6.734 12.971 -0.776 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.798 9.385 0.161 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.496 8.766 -1.480 1.00 0.00 H new ATOM 0 HG23 ILE A 22 8.076 9.477 -1.074 1.00 0.00 H new ATOM 0 HD11 ILE A 22 7.440 12.637 1.542 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.887 11.824 1.239 1.00 0.00 H new ATOM 0 HD13 ILE A 22 7.389 10.873 1.317 1.00 0.00 H new ATOM 309 N LEU A 23 4.803 9.960 -3.592 1.00 0.00 N ATOM 310 CA LEU A 23 4.065 8.936 -4.323 1.00 0.00 C ATOM 311 C LEU A 23 3.287 9.548 -5.483 1.00 0.00 C ATOM 312 O LEU A 23 2.137 9.186 -5.732 1.00 0.00 O ATOM 313 CB LEU A 23 3.107 8.201 -3.384 1.00 0.00 C ATOM 314 CG LEU A 23 3.758 7.342 -2.299 1.00 0.00 C ATOM 315 CD1 LEU A 23 2.706 6.535 -1.554 1.00 0.00 C ATOM 316 CD2 LEU A 23 4.808 6.422 -2.906 1.00 0.00 C ATOM 0 H LEU A 23 4.217 10.607 -3.065 1.00 0.00 H new ATOM 0 HA LEU A 23 4.785 8.225 -4.728 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.467 8.939 -2.900 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.459 7.563 -3.985 1.00 0.00 H new ATOM 0 HG LEU A 23 4.251 8.003 -1.586 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.188 5.930 -0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.991 7.212 -1.087 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.184 5.883 -2.255 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.261 5.818 -2.120 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.338 5.768 -3.640 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.578 7.020 -3.393 1.00 0.00 H new ATOM 328 N GLN A 24 3.923 10.477 -6.191 1.00 0.00 N ATOM 329 CA GLN A 24 3.290 11.138 -7.326 1.00 0.00 C ATOM 330 C GLN A 24 3.082 10.162 -8.479 1.00 0.00 C ATOM 331 O GLN A 24 4.028 9.800 -9.177 1.00 0.00 O ATOM 332 CB GLN A 24 4.140 12.322 -7.791 1.00 0.00 C ATOM 333 CG GLN A 24 3.405 13.268 -8.728 1.00 0.00 C ATOM 334 CD GLN A 24 4.335 13.967 -9.699 1.00 0.00 C ATOM 335 OE1 GLN A 24 4.705 13.411 -10.733 1.00 0.00 O ATOM 336 NE2 GLN A 24 4.718 15.196 -9.371 1.00 0.00 N ATOM 0 H GLN A 24 4.875 10.788 -5.998 1.00 0.00 H new ATOM 0 HA GLN A 24 2.315 11.503 -7.004 1.00 0.00 H new ATOM 0 HB2 GLN A 24 4.480 12.880 -6.918 1.00 0.00 H new ATOM 0 HB3 GLN A 24 5.030 11.944 -8.294 1.00 0.00 H new ATOM 0 HG2 GLN A 24 2.655 12.709 -9.288 1.00 0.00 H new ATOM 0 HG3 GLN A 24 2.872 14.015 -8.139 1.00 0.00 H new ATOM 0 HE21 GLN A 24 4.387 15.619 -8.504 1.00 0.00 H new ATOM 0 HE22 GLN A 24 5.343 15.717 -9.986 1.00 0.00 H new ATOM 345 N GLY A 25 1.837 9.738 -8.672 1.00 0.00 N ATOM 346 CA GLY A 25 1.527 8.807 -9.741 1.00 0.00 C ATOM 347 C GLY A 25 1.287 7.399 -9.232 1.00 0.00 C ATOM 348 O GLY A 25 1.550 6.423 -9.935 1.00 0.00 O ATOM 0 H GLY A 25 1.037 10.023 -8.107 1.00 0.00 H new ATOM 0 HA2 GLY A 25 0.642 9.153 -10.275 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.348 8.796 -10.458 1.00 0.00 H new ATOM 352 N VAL A 26 0.787 7.292 -8.005 1.00 0.00 N ATOM 353 CA VAL A 26 0.512 5.994 -7.402 1.00 0.00 C ATOM 354 C VAL A 26 -0.934 5.905 -6.925 1.00 0.00 C ATOM 355 O VAL A 26 -1.526 6.902 -6.514 1.00 0.00 O ATOM 356 CB VAL A 26 1.451 5.717 -6.213 1.00 0.00 C ATOM 357 CG1 VAL A 26 1.124 4.375 -5.575 1.00 0.00 C ATOM 358 CG2 VAL A 26 2.904 5.764 -6.660 1.00 0.00 C ATOM 0 H VAL A 26 0.564 8.089 -7.409 1.00 0.00 H new ATOM 0 HA VAL A 26 0.684 5.244 -8.174 1.00 0.00 H new ATOM 0 HB VAL A 26 1.300 6.494 -5.464 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.798 4.197 -4.737 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.094 4.383 -5.217 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.245 3.582 -6.313 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.554 5.566 -5.807 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.073 5.009 -7.428 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.128 6.751 -7.066 1.00 0.00 H new ATOM 368 N VAL A 27 -1.497 4.702 -6.983 1.00 0.00 N ATOM 369 CA VAL A 27 -2.873 4.481 -6.555 1.00 0.00 C ATOM 370 C VAL A 27 -2.963 3.322 -5.569 1.00 0.00 C ATOM 371 O VAL A 27 -2.686 2.174 -5.917 1.00 0.00 O ATOM 372 CB VAL A 27 -3.794 4.192 -7.756 1.00 0.00 C ATOM 373 CG1 VAL A 27 -5.203 3.870 -7.283 1.00 0.00 C ATOM 374 CG2 VAL A 27 -3.802 5.371 -8.717 1.00 0.00 C ATOM 0 H VAL A 27 -1.021 3.866 -7.322 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.203 5.397 -6.065 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.407 3.322 -8.287 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.839 3.669 -8.145 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -5.178 2.992 -6.637 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.603 4.718 -6.727 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.458 5.149 -9.559 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.164 6.260 -8.200 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.791 5.550 -9.082 1.00 0.00 H new ATOM 384 N VAL A 28 -3.353 3.630 -4.336 1.00 0.00 N ATOM 385 CA VAL A 28 -3.482 2.614 -3.299 1.00 0.00 C ATOM 386 C VAL A 28 -4.944 2.259 -3.055 1.00 0.00 C ATOM 387 O VAL A 28 -5.848 2.989 -3.463 1.00 0.00 O ATOM 388 CB VAL A 28 -2.850 3.082 -1.974 1.00 0.00 C ATOM 389 CG1 VAL A 28 -1.336 3.156 -2.100 1.00 0.00 C ATOM 390 CG2 VAL A 28 -3.425 4.427 -1.556 1.00 0.00 C ATOM 0 H VAL A 28 -3.585 4.575 -4.031 1.00 0.00 H new ATOM 0 HA VAL A 28 -2.952 1.730 -3.654 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.090 2.353 -1.200 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.908 3.488 -1.154 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.943 2.170 -2.350 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.070 3.862 -2.887 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.968 4.743 -0.618 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.217 5.167 -2.328 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.503 4.336 -1.421 1.00 0.00 H new ATOM 400 N VAL A 29 -5.171 1.133 -2.386 1.00 0.00 N ATOM 401 CA VAL A 29 -6.524 0.681 -2.086 1.00 0.00 C ATOM 402 C VAL A 29 -6.612 0.109 -0.675 1.00 0.00 C ATOM 403 O VAL A 29 -5.790 -0.717 -0.276 1.00 0.00 O ATOM 404 CB VAL A 29 -6.996 -0.386 -3.091 1.00 0.00 C ATOM 405 CG1 VAL A 29 -8.342 -0.956 -2.673 1.00 0.00 C ATOM 406 CG2 VAL A 29 -7.068 0.200 -4.494 1.00 0.00 C ATOM 0 H VAL A 29 -4.435 0.517 -2.041 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.173 1.553 -2.163 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.271 -1.200 -3.098 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.659 -1.708 -3.395 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.253 -1.414 -1.688 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -9.080 -0.155 -2.636 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.403 -0.567 -5.192 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -7.771 1.033 -4.505 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -6.081 0.555 -4.791 1.00 0.00 H new ATOM 416 N LEU A 30 -7.614 0.552 0.075 1.00 0.00 N ATOM 417 CA LEU A 30 -7.811 0.084 1.443 1.00 0.00 C ATOM 418 C LEU A 30 -8.657 -1.185 1.467 1.00 0.00 C ATOM 419 O LEU A 30 -9.819 -1.177 1.060 1.00 0.00 O ATOM 420 CB LEU A 30 -8.480 1.172 2.285 1.00 0.00 C ATOM 421 CG LEU A 30 -7.709 2.486 2.416 1.00 0.00 C ATOM 422 CD1 LEU A 30 -8.429 3.434 3.364 1.00 0.00 C ATOM 423 CD2 LEU A 30 -6.289 2.226 2.896 1.00 0.00 C ATOM 0 H LEU A 30 -8.303 1.235 -0.240 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.833 -0.144 1.867 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.457 1.388 1.853 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.654 0.774 3.285 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.658 2.955 1.433 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.866 4.364 3.445 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.426 3.646 2.979 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -8.511 2.972 4.348 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.755 3.172 2.983 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.318 1.735 3.869 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.775 1.584 2.180 1.00 0.00 H new ATOM 435 N SER A 31 -8.067 -2.275 1.949 1.00 0.00 N ATOM 436 CA SER A 31 -8.766 -3.552 2.025 1.00 0.00 C ATOM 437 C SER A 31 -8.373 -4.312 3.288 1.00 0.00 C ATOM 438 O SER A 31 -7.234 -4.755 3.431 1.00 0.00 O ATOM 439 CB SER A 31 -8.459 -4.400 0.790 1.00 0.00 C ATOM 440 OG SER A 31 -9.479 -5.357 0.561 1.00 0.00 O ATOM 0 H SER A 31 -7.107 -2.299 2.292 1.00 0.00 H new ATOM 0 HA SER A 31 -9.837 -3.350 2.061 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.359 -3.754 -0.083 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.503 -4.907 0.922 1.00 0.00 H new ATOM 0 HG SER A 31 -9.262 -6.186 1.036 1.00 0.00 H new ATOM 446 N GLY A 32 -9.326 -4.459 4.204 1.00 0.00 N ATOM 447 CA GLY A 32 -9.061 -5.165 5.444 1.00 0.00 C ATOM 448 C GLY A 32 -8.676 -4.230 6.573 1.00 0.00 C ATOM 449 O GLY A 32 -7.853 -4.574 7.421 1.00 0.00 O ATOM 0 H GLY A 32 -10.277 -4.102 4.109 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -9.946 -5.732 5.732 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.259 -5.886 5.284 1.00 0.00 H new ATOM 453 N PHE A 33 -9.272 -3.042 6.584 1.00 0.00 N ATOM 454 CA PHE A 33 -8.985 -2.052 7.616 1.00 0.00 C ATOM 455 C PHE A 33 -10.271 -1.576 8.285 1.00 0.00 C ATOM 456 O PHE A 33 -11.344 -1.610 7.684 1.00 0.00 O ATOM 457 CB PHE A 33 -8.237 -0.860 7.016 1.00 0.00 C ATOM 458 CG PHE A 33 -6.929 -1.232 6.378 1.00 0.00 C ATOM 459 CD1 PHE A 33 -5.998 -1.992 7.068 1.00 0.00 C ATOM 460 CD2 PHE A 33 -6.630 -0.822 5.089 1.00 0.00 C ATOM 461 CE1 PHE A 33 -4.794 -2.337 6.484 1.00 0.00 C ATOM 462 CE2 PHE A 33 -5.428 -1.163 4.500 1.00 0.00 C ATOM 463 CZ PHE A 33 -4.508 -1.921 5.198 1.00 0.00 C ATOM 0 H PHE A 33 -9.957 -2.742 5.890 1.00 0.00 H new ATOM 0 HA PHE A 33 -8.356 -2.523 8.371 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -8.872 -0.381 6.271 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -8.054 -0.125 7.799 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.216 -2.319 8.074 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.345 -0.229 4.538 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.078 -2.931 7.032 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.208 -0.837 3.494 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.567 -2.188 4.739 1.00 0.00 H new ATOM 473 N GLN A 34 -10.153 -1.133 9.533 1.00 0.00 N ATOM 474 CA GLN A 34 -11.306 -0.651 10.284 1.00 0.00 C ATOM 475 C GLN A 34 -11.126 0.811 10.679 1.00 0.00 C ATOM 476 O GLN A 34 -10.003 1.283 10.852 1.00 0.00 O ATOM 477 CB GLN A 34 -11.521 -1.507 11.534 1.00 0.00 C ATOM 478 CG GLN A 34 -12.401 -2.723 11.295 1.00 0.00 C ATOM 479 CD GLN A 34 -11.652 -3.866 10.640 1.00 0.00 C ATOM 480 OE1 GLN A 34 -10.495 -4.134 10.966 1.00 0.00 O ATOM 481 NE2 GLN A 34 -12.309 -4.548 9.709 1.00 0.00 N ATOM 0 H GLN A 34 -9.271 -1.098 10.045 1.00 0.00 H new ATOM 0 HA GLN A 34 -12.184 -0.729 9.643 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -10.552 -1.838 11.909 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -11.970 -0.891 12.313 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -12.813 -3.061 12.246 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -13.244 -2.438 10.666 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -13.267 -4.292 9.470 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -11.856 -5.328 9.233 1.00 0.00 H new ATOM 490 N ASN A 35 -12.239 1.522 10.820 1.00 0.00 N ATOM 491 CA ASN A 35 -12.204 2.931 11.194 1.00 0.00 C ATOM 492 C ASN A 35 -12.218 3.092 12.711 1.00 0.00 C ATOM 493 O ASN A 35 -12.563 2.173 13.454 1.00 0.00 O ATOM 494 CB ASN A 35 -13.393 3.673 10.580 1.00 0.00 C ATOM 495 CG ASN A 35 -14.568 2.755 10.304 1.00 0.00 C ATOM 496 OD1 ASN A 35 -14.522 1.926 9.396 1.00 0.00 O ATOM 497 ND2 ASN A 35 -15.629 2.900 11.090 1.00 0.00 N ATOM 0 H ASN A 35 -13.177 1.146 10.681 1.00 0.00 H new ATOM 0 HA ASN A 35 -11.279 3.360 10.810 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -13.708 4.469 11.254 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.080 4.148 9.650 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -16.450 2.310 10.953 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -15.623 3.601 11.831 1.00 0.00 H new ATOM 504 N PRO A 36 -11.835 4.288 13.183 1.00 0.00 N ATOM 505 CA PRO A 36 -11.422 5.389 12.308 1.00 0.00 C ATOM 506 C PRO A 36 -10.083 5.118 11.629 1.00 0.00 C ATOM 507 O PRO A 36 -9.808 5.639 10.548 1.00 0.00 O ATOM 508 CB PRO A 36 -11.305 6.578 13.265 1.00 0.00 C ATOM 509 CG PRO A 36 -11.038 5.967 14.597 1.00 0.00 C ATOM 510 CD PRO A 36 -11.775 4.657 14.607 1.00 0.00 C ATOM 0 HA PRO A 36 -12.128 5.549 11.493 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -10.498 7.248 12.968 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -12.221 7.168 13.277 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -9.969 5.815 14.749 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -11.385 6.616 15.401 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -11.249 3.905 15.195 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -12.771 4.760 15.038 1.00 0.00 H new ATOM 518 N PHE A 37 -9.254 4.301 12.270 1.00 0.00 N ATOM 519 CA PHE A 37 -7.944 3.961 11.727 1.00 0.00 C ATOM 520 C PHE A 37 -7.957 4.011 10.202 1.00 0.00 C ATOM 521 O PHE A 37 -7.097 4.638 9.584 1.00 0.00 O ATOM 522 CB PHE A 37 -7.518 2.570 12.200 1.00 0.00 C ATOM 523 CG PHE A 37 -6.428 1.961 11.365 1.00 0.00 C ATOM 524 CD1 PHE A 37 -5.237 2.637 11.155 1.00 0.00 C ATOM 525 CD2 PHE A 37 -6.595 0.711 10.789 1.00 0.00 C ATOM 526 CE1 PHE A 37 -4.234 2.079 10.386 1.00 0.00 C ATOM 527 CE2 PHE A 37 -5.595 0.148 10.019 1.00 0.00 C ATOM 528 CZ PHE A 37 -4.413 0.832 9.818 1.00 0.00 C ATOM 0 H PHE A 37 -9.466 3.862 13.166 1.00 0.00 H new ATOM 0 HA PHE A 37 -7.226 4.696 12.090 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -7.180 2.634 13.234 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -8.385 1.910 12.189 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.091 3.611 11.598 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -7.517 0.171 10.944 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.311 2.617 10.229 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -5.738 -0.826 9.575 1.00 0.00 H new ATOM 0 HZ PHE A 37 -3.629 0.393 9.218 1.00 0.00 H new ATOM 538 N ARG A 38 -8.939 3.344 9.603 1.00 0.00 N ATOM 539 CA ARG A 38 -9.063 3.310 8.151 1.00 0.00 C ATOM 540 C ARG A 38 -8.969 4.715 7.564 1.00 0.00 C ATOM 541 O ARG A 38 -8.090 5.002 6.752 1.00 0.00 O ATOM 542 CB ARG A 38 -10.390 2.665 7.747 1.00 0.00 C ATOM 543 CG ARG A 38 -10.626 2.646 6.246 1.00 0.00 C ATOM 544 CD ARG A 38 -12.077 2.334 5.914 1.00 0.00 C ATOM 545 NE ARG A 38 -12.313 0.899 5.785 1.00 0.00 N ATOM 546 CZ ARG A 38 -13.483 0.374 5.437 1.00 0.00 C ATOM 547 NH1 ARG A 38 -14.518 1.164 5.184 1.00 0.00 N ATOM 548 NH2 ARG A 38 -13.619 -0.942 5.342 1.00 0.00 N ATOM 0 H ARG A 38 -9.659 2.821 10.101 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.241 2.714 7.755 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.417 1.642 8.123 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.207 3.203 8.228 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.354 3.613 5.822 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -9.978 1.901 5.784 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -12.722 2.739 6.694 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -12.351 2.831 4.984 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.537 0.264 5.972 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -14.417 2.176 5.256 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -15.415 0.759 4.917 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -12.825 -1.552 5.536 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -14.518 -1.344 5.075 1.00 0.00 H new ATOM 562 N SER A 39 -9.882 5.587 7.980 1.00 0.00 N ATOM 563 CA SER A 39 -9.905 6.961 7.492 1.00 0.00 C ATOM 564 C SER A 39 -8.560 7.643 7.725 1.00 0.00 C ATOM 565 O SER A 39 -8.096 8.424 6.895 1.00 0.00 O ATOM 566 CB SER A 39 -11.016 7.752 8.185 1.00 0.00 C ATOM 567 OG SER A 39 -10.581 8.257 9.435 1.00 0.00 O ATOM 0 H SER A 39 -10.615 5.366 8.654 1.00 0.00 H new ATOM 0 HA SER A 39 -10.100 6.936 6.420 1.00 0.00 H new ATOM 0 HB2 SER A 39 -11.332 8.577 7.546 1.00 0.00 H new ATOM 0 HB3 SER A 39 -11.886 7.111 8.331 1.00 0.00 H new ATOM 0 HG SER A 39 -10.281 7.515 10.001 1.00 0.00 H new ATOM 573 N GLU A 40 -7.939 7.340 8.861 1.00 0.00 N ATOM 574 CA GLU A 40 -6.647 7.924 9.204 1.00 0.00 C ATOM 575 C GLU A 40 -5.584 7.530 8.183 1.00 0.00 C ATOM 576 O GLU A 40 -4.776 8.358 7.761 1.00 0.00 O ATOM 577 CB GLU A 40 -6.217 7.479 10.603 1.00 0.00 C ATOM 578 CG GLU A 40 -4.851 8.002 11.015 1.00 0.00 C ATOM 579 CD GLU A 40 -4.891 9.450 11.463 1.00 0.00 C ATOM 580 OE1 GLU A 40 -5.660 9.762 12.395 1.00 0.00 O ATOM 581 OE2 GLU A 40 -4.152 10.271 10.880 1.00 0.00 O ATOM 0 H GLU A 40 -8.309 6.694 9.559 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.752 9.009 9.192 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.959 7.816 11.327 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.206 6.390 10.641 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.459 7.386 11.824 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.161 7.904 10.177 1.00 0.00 H new ATOM 588 N LEU A 41 -5.590 6.261 7.792 1.00 0.00 N ATOM 589 CA LEU A 41 -4.626 5.755 6.820 1.00 0.00 C ATOM 590 C LEU A 41 -4.761 6.485 5.488 1.00 0.00 C ATOM 591 O LEU A 41 -3.778 6.982 4.939 1.00 0.00 O ATOM 592 CB LEU A 41 -4.821 4.252 6.613 1.00 0.00 C ATOM 593 CG LEU A 41 -4.131 3.648 5.391 1.00 0.00 C ATOM 594 CD1 LEU A 41 -2.643 3.962 5.408 1.00 0.00 C ATOM 595 CD2 LEU A 41 -4.360 2.144 5.338 1.00 0.00 C ATOM 0 H LEU A 41 -6.251 5.563 8.133 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.625 5.935 7.212 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.461 3.734 7.502 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.890 4.052 6.538 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.565 4.093 4.496 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.169 3.524 4.530 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.499 5.042 5.397 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.193 3.545 6.309 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.861 1.731 4.461 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.954 1.682 6.238 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.429 1.941 5.277 1.00 0.00 H new ATOM 607 N ARG A 42 -5.986 6.548 4.975 1.00 0.00 N ATOM 608 CA ARG A 42 -6.250 7.219 3.708 1.00 0.00 C ATOM 609 C ARG A 42 -5.574 8.586 3.665 1.00 0.00 C ATOM 610 O ARG A 42 -4.852 8.904 2.720 1.00 0.00 O ATOM 611 CB ARG A 42 -7.756 7.375 3.493 1.00 0.00 C ATOM 612 CG ARG A 42 -8.123 7.917 2.122 1.00 0.00 C ATOM 613 CD ARG A 42 -9.569 8.388 2.077 1.00 0.00 C ATOM 614 NE ARG A 42 -9.755 9.653 2.783 1.00 0.00 N ATOM 615 CZ ARG A 42 -10.923 10.278 2.875 1.00 0.00 C ATOM 616 NH1 ARG A 42 -12.003 9.759 2.308 1.00 0.00 N ATOM 617 NH2 ARG A 42 -11.012 11.426 3.535 1.00 0.00 N ATOM 0 H ARG A 42 -6.811 6.143 5.417 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.838 6.604 2.908 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.236 6.406 3.632 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.156 8.042 4.257 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.461 8.745 1.868 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.968 7.143 1.370 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.881 8.503 1.039 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.212 7.628 2.520 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.943 10.080 3.230 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.938 8.877 1.799 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.899 10.241 2.380 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -10.183 11.829 3.972 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -11.909 11.906 3.605 1.00 0.00 H new ATOM 631 N ASP A 43 -5.814 9.391 4.695 1.00 0.00 N ATOM 632 CA ASP A 43 -5.229 10.724 4.775 1.00 0.00 C ATOM 633 C ASP A 43 -3.728 10.676 4.510 1.00 0.00 C ATOM 634 O ASP A 43 -3.217 11.382 3.640 1.00 0.00 O ATOM 635 CB ASP A 43 -5.497 11.339 6.150 1.00 0.00 C ATOM 636 CG ASP A 43 -5.279 12.840 6.165 1.00 0.00 C ATOM 637 OD1 ASP A 43 -4.136 13.277 5.917 1.00 0.00 O ATOM 638 OD2 ASP A 43 -6.253 13.577 6.423 1.00 0.00 O ATOM 0 H ASP A 43 -6.409 9.143 5.485 1.00 0.00 H new ATOM 0 HA ASP A 43 -5.695 11.345 4.010 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.522 11.121 6.449 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.844 10.872 6.887 1.00 0.00 H new ATOM 643 N LYS A 44 -3.025 9.839 5.265 1.00 0.00 N ATOM 644 CA LYS A 44 -1.582 9.697 5.112 1.00 0.00 C ATOM 645 C LYS A 44 -1.221 9.325 3.678 1.00 0.00 C ATOM 646 O LYS A 44 -0.270 9.860 3.109 1.00 0.00 O ATOM 647 CB LYS A 44 -1.048 8.634 6.076 1.00 0.00 C ATOM 648 CG LYS A 44 -0.972 9.104 7.518 1.00 0.00 C ATOM 649 CD LYS A 44 -1.165 7.953 8.491 1.00 0.00 C ATOM 650 CE LYS A 44 -1.281 8.448 9.924 1.00 0.00 C ATOM 651 NZ LYS A 44 -1.695 7.361 10.854 1.00 0.00 N ATOM 0 H LYS A 44 -3.432 9.248 5.990 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.121 10.656 5.347 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.688 7.753 6.023 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.054 8.326 5.750 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.006 9.575 7.698 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.734 9.863 7.695 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.063 7.396 8.224 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.326 7.262 8.410 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.323 8.856 10.246 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.006 9.261 9.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.163 7.775 11.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.355 6.721 10.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.856 6.827 11.159 1.00 0.00 H new ATOM 665 N ALA A 45 -1.987 8.407 3.099 1.00 0.00 N ATOM 666 CA ALA A 45 -1.749 7.967 1.730 1.00 0.00 C ATOM 667 C ALA A 45 -1.985 9.102 0.739 1.00 0.00 C ATOM 668 O ALA A 45 -1.287 9.215 -0.269 1.00 0.00 O ATOM 669 CB ALA A 45 -2.640 6.779 1.395 1.00 0.00 C ATOM 0 H ALA A 45 -2.778 7.953 3.557 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.706 7.660 1.650 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.452 6.461 0.370 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.421 5.957 2.076 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.686 7.068 1.499 1.00 0.00 H new ATOM 675 N LEU A 46 -2.972 9.941 1.032 1.00 0.00 N ATOM 676 CA LEU A 46 -3.301 11.068 0.167 1.00 0.00 C ATOM 677 C LEU A 46 -2.166 12.087 0.146 1.00 0.00 C ATOM 678 O LEU A 46 -1.770 12.568 -0.916 1.00 0.00 O ATOM 679 CB LEU A 46 -4.594 11.738 0.636 1.00 0.00 C ATOM 680 CG LEU A 46 -5.872 10.914 0.478 1.00 0.00 C ATOM 681 CD1 LEU A 46 -7.024 11.568 1.223 1.00 0.00 C ATOM 682 CD2 LEU A 46 -6.216 10.741 -0.994 1.00 0.00 C ATOM 0 H LEU A 46 -3.559 9.862 1.863 1.00 0.00 H new ATOM 0 HA LEU A 46 -3.443 10.688 -0.845 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.483 12.001 1.688 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.717 12.671 0.086 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.701 9.928 0.909 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.925 10.967 1.099 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.778 11.639 2.283 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.196 12.567 0.822 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.128 10.152 -1.088 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.367 11.720 -1.450 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.399 10.227 -1.501 1.00 0.00 H new ATOM 694 N GLU A 47 -1.645 12.411 1.326 1.00 0.00 N ATOM 695 CA GLU A 47 -0.555 13.371 1.441 1.00 0.00 C ATOM 696 C GLU A 47 0.573 13.034 0.470 1.00 0.00 C ATOM 697 O GLU A 47 0.993 13.874 -0.327 1.00 0.00 O ATOM 698 CB GLU A 47 -0.018 13.397 2.874 1.00 0.00 C ATOM 699 CG GLU A 47 -0.710 14.415 3.765 1.00 0.00 C ATOM 700 CD GLU A 47 -0.030 15.770 3.739 1.00 0.00 C ATOM 701 OE1 GLU A 47 0.917 15.973 4.528 1.00 0.00 O ATOM 702 OE2 GLU A 47 -0.445 16.628 2.932 1.00 0.00 O ATOM 0 H GLU A 47 -1.961 12.022 2.215 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.946 14.357 1.188 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.131 12.406 3.313 1.00 0.00 H new ATOM 0 HB3 GLU A 47 1.050 13.615 2.849 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.746 14.526 3.446 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.730 14.042 4.789 1.00 0.00 H new ATOM 709 N LEU A 48 1.060 11.800 0.544 1.00 0.00 N ATOM 710 CA LEU A 48 2.139 11.350 -0.328 1.00 0.00 C ATOM 711 C LEU A 48 1.797 11.602 -1.793 1.00 0.00 C ATOM 712 O LEU A 48 2.668 11.558 -2.661 1.00 0.00 O ATOM 713 CB LEU A 48 2.415 9.862 -0.105 1.00 0.00 C ATOM 714 CG LEU A 48 2.638 9.431 1.345 1.00 0.00 C ATOM 715 CD1 LEU A 48 2.195 7.990 1.547 1.00 0.00 C ATOM 716 CD2 LEU A 48 4.099 9.601 1.733 1.00 0.00 C ATOM 0 H LEU A 48 0.725 11.094 1.199 1.00 0.00 H new ATOM 0 HA LEU A 48 3.034 11.920 -0.080 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.577 9.293 -0.507 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.296 9.585 -0.685 1.00 0.00 H new ATOM 0 HG LEU A 48 2.035 10.069 1.991 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.361 7.700 2.585 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.135 7.899 1.310 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.771 7.337 0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.239 9.289 2.768 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.722 8.988 1.082 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.384 10.648 1.627 1.00 0.00 H new ATOM 728 N GLY A 49 0.522 11.868 -2.060 1.00 0.00 N ATOM 729 CA GLY A 49 0.088 12.125 -3.421 1.00 0.00 C ATOM 730 C GLY A 49 -0.497 10.895 -4.085 1.00 0.00 C ATOM 731 O GLY A 49 -0.692 10.870 -5.300 1.00 0.00 O ATOM 0 H GLY A 49 -0.218 11.910 -1.359 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.657 12.921 -3.417 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.934 12.483 -4.007 1.00 0.00 H new ATOM 735 N ALA A 50 -0.776 9.869 -3.287 1.00 0.00 N ATOM 736 CA ALA A 50 -1.342 8.630 -3.805 1.00 0.00 C ATOM 737 C ALA A 50 -2.851 8.750 -3.988 1.00 0.00 C ATOM 738 O ALA A 50 -3.500 9.584 -3.356 1.00 0.00 O ATOM 739 CB ALA A 50 -1.012 7.471 -2.876 1.00 0.00 C ATOM 0 H ALA A 50 -0.619 9.872 -2.279 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.898 8.437 -4.782 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.441 6.552 -3.275 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.070 7.363 -2.799 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.428 7.667 -1.888 1.00 0.00 H new ATOM 745 N LYS A 51 -3.405 7.913 -4.859 1.00 0.00 N ATOM 746 CA LYS A 51 -4.838 7.924 -5.126 1.00 0.00 C ATOM 747 C LYS A 51 -5.572 6.957 -4.202 1.00 0.00 C ATOM 748 O LYS A 51 -4.987 5.993 -3.706 1.00 0.00 O ATOM 749 CB LYS A 51 -5.108 7.554 -6.586 1.00 0.00 C ATOM 750 CG LYS A 51 -6.549 7.155 -6.856 1.00 0.00 C ATOM 751 CD LYS A 51 -7.471 8.362 -6.861 1.00 0.00 C ATOM 752 CE LYS A 51 -7.322 9.172 -8.139 1.00 0.00 C ATOM 753 NZ LYS A 51 -8.179 10.390 -8.128 1.00 0.00 N ATOM 0 H LYS A 51 -2.882 7.218 -5.392 1.00 0.00 H new ATOM 0 HA LYS A 51 -5.209 8.931 -4.937 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.850 8.402 -7.221 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.452 6.731 -6.871 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -6.612 6.644 -7.817 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -6.880 6.447 -6.096 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -8.505 8.032 -6.757 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -7.250 8.994 -6.001 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.279 9.463 -8.265 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -7.585 8.551 -8.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -8.048 10.914 -9.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -9.177 10.112 -8.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.911 10.996 -7.326 1.00 0.00 H new ATOM 767 N TYR A 52 -6.854 7.220 -3.975 1.00 0.00 N ATOM 768 CA TYR A 52 -7.666 6.374 -3.109 1.00 0.00 C ATOM 769 C TYR A 52 -8.879 5.832 -3.860 1.00 0.00 C ATOM 770 O TYR A 52 -9.740 6.592 -4.302 1.00 0.00 O ATOM 771 CB TYR A 52 -8.124 7.158 -1.878 1.00 0.00 C ATOM 772 CG TYR A 52 -9.402 6.631 -1.266 1.00 0.00 C ATOM 773 CD1 TYR A 52 -9.430 5.404 -0.615 1.00 0.00 C ATOM 774 CD2 TYR A 52 -10.582 7.361 -1.337 1.00 0.00 C ATOM 775 CE1 TYR A 52 -10.596 4.919 -0.054 1.00 0.00 C ATOM 776 CE2 TYR A 52 -11.752 6.885 -0.779 1.00 0.00 C ATOM 777 CZ TYR A 52 -11.754 5.663 -0.139 1.00 0.00 C ATOM 778 OH TYR A 52 -12.917 5.184 0.419 1.00 0.00 O ATOM 0 H TYR A 52 -7.353 8.013 -4.379 1.00 0.00 H new ATOM 0 HA TYR A 52 -7.053 5.532 -2.788 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -7.334 7.133 -1.127 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -8.267 8.202 -2.155 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -8.525 4.819 -0.546 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -10.584 8.318 -1.838 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -10.600 3.963 0.448 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -12.660 7.466 -0.843 1.00 0.00 H new ATOM 0 HH TYR A 52 -13.640 5.829 0.273 1.00 0.00 H new ATOM 788 N ARG A 53 -8.938 4.511 -4.000 1.00 0.00 N ATOM 789 CA ARG A 53 -10.043 3.866 -4.698 1.00 0.00 C ATOM 790 C ARG A 53 -10.781 2.903 -3.773 1.00 0.00 C ATOM 791 O ARG A 53 -10.184 2.228 -2.934 1.00 0.00 O ATOM 792 CB ARG A 53 -9.530 3.115 -5.928 1.00 0.00 C ATOM 793 CG ARG A 53 -8.790 4.001 -6.917 1.00 0.00 C ATOM 794 CD ARG A 53 -9.742 4.627 -7.924 1.00 0.00 C ATOM 795 NE ARG A 53 -9.053 5.047 -9.141 1.00 0.00 N ATOM 796 CZ ARG A 53 -9.505 5.998 -9.951 1.00 0.00 C ATOM 797 NH1 ARG A 53 -10.640 6.625 -9.674 1.00 0.00 N ATOM 798 NH2 ARG A 53 -8.821 6.324 -11.040 1.00 0.00 N ATOM 0 H ARG A 53 -8.234 3.867 -3.639 1.00 0.00 H new ATOM 0 HA ARG A 53 -10.739 4.641 -5.019 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.866 2.314 -5.603 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.373 2.645 -6.434 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.261 4.787 -6.378 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -8.038 3.412 -7.443 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.523 3.910 -8.179 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -10.234 5.487 -7.471 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.176 4.585 -9.382 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -11.168 6.378 -8.837 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -10.985 7.355 -10.298 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -7.947 5.844 -11.256 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -9.169 7.054 -11.661 1.00 0.00 H new ATOM 812 N PRO A 54 -12.112 2.836 -3.927 1.00 0.00 N ATOM 813 CA PRO A 54 -12.961 1.959 -3.115 1.00 0.00 C ATOM 814 C PRO A 54 -12.751 0.485 -3.441 1.00 0.00 C ATOM 815 O PRO A 54 -13.028 -0.389 -2.619 1.00 0.00 O ATOM 816 CB PRO A 54 -14.380 2.393 -3.489 1.00 0.00 C ATOM 817 CG PRO A 54 -14.251 2.973 -4.855 1.00 0.00 C ATOM 818 CD PRO A 54 -12.891 3.612 -4.907 1.00 0.00 C ATOM 0 HA PRO A 54 -12.740 2.049 -2.051 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -15.068 1.547 -3.481 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.769 3.126 -2.783 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -14.349 2.200 -5.618 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -15.035 3.707 -5.043 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.456 3.551 -5.905 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -12.933 4.668 -4.641 1.00 0.00 H new ATOM 826 N ASP A 55 -12.259 0.214 -4.645 1.00 0.00 N ATOM 827 CA ASP A 55 -12.010 -1.155 -5.080 1.00 0.00 C ATOM 828 C ASP A 55 -10.854 -1.208 -6.074 1.00 0.00 C ATOM 829 O ASP A 55 -10.523 -0.208 -6.710 1.00 0.00 O ATOM 830 CB ASP A 55 -13.270 -1.749 -5.712 1.00 0.00 C ATOM 831 CG ASP A 55 -14.072 -0.719 -6.483 1.00 0.00 C ATOM 832 OD1 ASP A 55 -13.527 -0.147 -7.450 1.00 0.00 O ATOM 833 OD2 ASP A 55 -15.243 -0.484 -6.120 1.00 0.00 O ATOM 0 H ASP A 55 -12.025 0.925 -5.338 1.00 0.00 H new ATOM 0 HA ASP A 55 -11.739 -1.745 -4.204 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -12.988 -2.562 -6.382 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -13.895 -2.182 -4.931 1.00 0.00 H new ATOM 838 N TRP A 56 -10.244 -2.381 -6.201 1.00 0.00 N ATOM 839 CA TRP A 56 -9.124 -2.564 -7.117 1.00 0.00 C ATOM 840 C TRP A 56 -9.543 -2.276 -8.555 1.00 0.00 C ATOM 841 O TRP A 56 -10.446 -2.920 -9.090 1.00 0.00 O ATOM 842 CB TRP A 56 -8.577 -3.989 -7.008 1.00 0.00 C ATOM 843 CG TRP A 56 -7.286 -4.187 -7.743 1.00 0.00 C ATOM 844 CD1 TRP A 56 -7.114 -4.811 -8.945 1.00 0.00 C ATOM 845 CD2 TRP A 56 -5.986 -3.760 -7.321 1.00 0.00 C ATOM 846 NE1 TRP A 56 -5.786 -4.798 -9.296 1.00 0.00 N ATOM 847 CE2 TRP A 56 -5.073 -4.158 -8.317 1.00 0.00 C ATOM 848 CE3 TRP A 56 -5.505 -3.078 -6.200 1.00 0.00 C ATOM 849 CZ2 TRP A 56 -3.708 -3.898 -8.223 1.00 0.00 C ATOM 850 CZ3 TRP A 56 -4.150 -2.821 -6.108 1.00 0.00 C ATOM 851 CH2 TRP A 56 -3.265 -3.229 -7.114 1.00 0.00 C ATOM 0 H TRP A 56 -10.506 -3.219 -5.682 1.00 0.00 H new ATOM 0 HA TRP A 56 -8.341 -1.859 -6.839 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -8.429 -4.235 -5.956 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -9.319 -4.686 -7.397 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -7.906 -5.250 -9.534 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -5.394 -5.200 -10.148 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -6.180 -2.758 -5.420 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -3.024 -4.213 -8.997 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -3.767 -2.296 -5.245 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -2.212 -3.011 -7.013 1.00 0.00 H new ATOM 862 N THR A 57 -8.883 -1.304 -9.176 1.00 0.00 N ATOM 863 CA THR A 57 -9.188 -0.930 -10.551 1.00 0.00 C ATOM 864 C THR A 57 -7.939 -0.976 -11.423 1.00 0.00 C ATOM 865 O THR A 57 -6.849 -1.292 -10.947 1.00 0.00 O ATOM 866 CB THR A 57 -9.802 0.481 -10.627 1.00 0.00 C ATOM 867 OG1 THR A 57 -10.000 0.856 -11.994 1.00 0.00 O ATOM 868 CG2 THR A 57 -8.903 1.499 -9.941 1.00 0.00 C ATOM 0 H THR A 57 -8.133 -0.761 -8.748 1.00 0.00 H new ATOM 0 HA THR A 57 -9.914 -1.654 -10.922 1.00 0.00 H new ATOM 0 HB THR A 57 -10.763 0.464 -10.113 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.392 1.753 -12.034 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.357 2.488 -10.007 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.778 1.226 -8.893 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.929 1.513 -10.431 1.00 0.00 H new ATOM 876 N ARG A 58 -8.105 -0.659 -12.703 1.00 0.00 N ATOM 877 CA ARG A 58 -6.990 -0.664 -13.642 1.00 0.00 C ATOM 878 C ARG A 58 -5.973 0.417 -13.286 1.00 0.00 C ATOM 879 O ARG A 58 -4.840 0.400 -13.768 1.00 0.00 O ATOM 880 CB ARG A 58 -7.496 -0.452 -15.070 1.00 0.00 C ATOM 881 CG ARG A 58 -6.483 -0.829 -16.138 1.00 0.00 C ATOM 882 CD ARG A 58 -6.931 -0.371 -17.518 1.00 0.00 C ATOM 883 NE ARG A 58 -6.143 -0.987 -18.582 1.00 0.00 N ATOM 884 CZ ARG A 58 -6.335 -2.228 -19.015 1.00 0.00 C ATOM 885 NH1 ARG A 58 -7.285 -2.981 -18.479 1.00 0.00 N ATOM 886 NH2 ARG A 58 -5.576 -2.717 -19.988 1.00 0.00 N ATOM 0 H ARG A 58 -9.001 -0.396 -13.113 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.500 -1.635 -13.578 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -8.402 -1.041 -15.216 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.772 0.595 -15.197 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.518 -0.381 -15.900 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.341 -1.910 -16.141 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.984 -0.617 -17.658 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.846 0.714 -17.585 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.404 -0.434 -19.017 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -7.871 -2.608 -17.732 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.430 -3.934 -18.813 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.845 -2.140 -20.404 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.724 -3.670 -20.320 1.00 0.00 H new ATOM 900 N ASP A 59 -6.386 1.354 -12.440 1.00 0.00 N ATOM 901 CA ASP A 59 -5.512 2.442 -12.019 1.00 0.00 C ATOM 902 C ASP A 59 -4.760 2.073 -10.744 1.00 0.00 C ATOM 903 O ASP A 59 -3.764 2.706 -10.394 1.00 0.00 O ATOM 904 CB ASP A 59 -6.323 3.719 -11.795 1.00 0.00 C ATOM 905 CG ASP A 59 -5.495 4.974 -11.992 1.00 0.00 C ATOM 906 OD1 ASP A 59 -4.272 4.923 -11.742 1.00 0.00 O ATOM 907 OD2 ASP A 59 -6.069 6.006 -12.396 1.00 0.00 O ATOM 0 H ASP A 59 -7.321 1.382 -12.032 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.784 2.617 -12.811 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.169 3.734 -12.482 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.733 3.713 -10.785 1.00 0.00 H new ATOM 912 N SER A 60 -5.244 1.045 -10.054 1.00 0.00 N ATOM 913 CA SER A 60 -4.620 0.595 -8.816 1.00 0.00 C ATOM 914 C SER A 60 -3.282 -0.081 -9.096 1.00 0.00 C ATOM 915 O SER A 60 -3.214 -1.078 -9.816 1.00 0.00 O ATOM 916 CB SER A 60 -5.547 -0.372 -8.075 1.00 0.00 C ATOM 917 OG SER A 60 -6.481 0.331 -7.273 1.00 0.00 O ATOM 0 H SER A 60 -6.066 0.509 -10.332 1.00 0.00 H new ATOM 0 HA SER A 60 -4.442 1.469 -8.190 1.00 0.00 H new ATOM 0 HB2 SER A 60 -6.077 -0.996 -8.795 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.956 -1.040 -7.449 1.00 0.00 H new ATOM 0 HG SER A 60 -6.796 1.123 -7.756 1.00 0.00 H new ATOM 923 N THR A 61 -2.216 0.468 -8.521 1.00 0.00 N ATOM 924 CA THR A 61 -0.879 -0.079 -8.709 1.00 0.00 C ATOM 925 C THR A 61 -0.445 -0.899 -7.499 1.00 0.00 C ATOM 926 O THR A 61 0.187 -1.940 -7.673 1.00 0.00 O ATOM 927 CB THR A 61 0.155 1.036 -8.957 1.00 0.00 C ATOM 928 OG1 THR A 61 0.212 1.911 -7.825 1.00 0.00 O ATOM 929 CG2 THR A 61 -0.198 1.833 -10.204 1.00 0.00 C ATOM 0 H THR A 61 -2.254 1.292 -7.921 1.00 0.00 H new ATOM 0 HA THR A 61 -0.923 -0.725 -9.586 1.00 0.00 H new ATOM 0 HB THR A 61 1.130 0.572 -9.106 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.682 1.465 -7.090 1.00 0.00 H new ATOM 0 HG21 THR A 61 0.546 2.614 -10.359 1.00 0.00 H new ATOM 0 HG22 THR A 61 -0.212 1.169 -11.068 1.00 0.00 H new ATOM 0 HG23 THR A 61 -1.181 2.287 -10.079 1.00 0.00 H new ATOM 937 N HIS A 62 -0.790 -0.419 -6.313 1.00 0.00 N ATOM 938 CA HIS A 62 -0.431 -1.116 -5.090 1.00 0.00 C ATOM 939 C HIS A 62 -1.670 -1.275 -4.207 1.00 0.00 C ATOM 940 O HIS A 62 -2.513 -0.384 -4.098 1.00 0.00 O ATOM 941 CB HIS A 62 0.719 -0.404 -4.376 1.00 0.00 C ATOM 942 CG HIS A 62 1.923 -0.150 -5.251 1.00 0.00 C ATOM 943 ND1 HIS A 62 1.935 0.805 -6.253 1.00 0.00 N ATOM 944 CD2 HIS A 62 3.155 -0.736 -5.264 1.00 0.00 C ATOM 945 CE1 HIS A 62 3.124 0.785 -6.836 1.00 0.00 C ATOM 946 NE2 HIS A 62 3.879 -0.171 -6.222 1.00 0.00 N ATOM 0 H HIS A 62 -1.315 0.445 -6.173 1.00 0.00 H new ATOM 0 HA HIS A 62 -0.068 -2.115 -5.330 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.358 0.548 -3.988 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.026 -1.002 -3.518 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.485 -1.526 -4.606 1.00 0.00 H new ATOM 0 HE1 HIS A 62 3.440 1.415 -7.654 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.841 -0.412 -6.460 1.00 0.00 H new ATOM 954 N LEU A 63 -1.762 -2.439 -3.574 1.00 0.00 N ATOM 955 CA LEU A 63 -2.885 -2.745 -2.694 1.00 0.00 C ATOM 956 C LEU A 63 -2.450 -2.733 -1.232 1.00 0.00 C ATOM 957 O LEU A 63 -1.565 -3.489 -0.831 1.00 0.00 O ATOM 958 CB LEU A 63 -3.481 -4.108 -3.050 1.00 0.00 C ATOM 959 CG LEU A 63 -4.471 -4.691 -2.041 1.00 0.00 C ATOM 960 CD1 LEU A 63 -5.850 -4.076 -2.230 1.00 0.00 C ATOM 961 CD2 LEU A 63 -4.538 -6.206 -2.174 1.00 0.00 C ATOM 0 H LEU A 63 -1.073 -3.187 -3.653 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.645 -1.976 -2.834 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -3.983 -4.022 -4.014 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.664 -4.817 -3.178 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.122 -4.449 -1.037 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.541 -4.503 -1.503 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.790 -2.997 -2.084 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -6.207 -4.287 -3.238 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.247 -6.604 -1.448 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.863 -6.469 -3.181 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.552 -6.632 -1.988 1.00 0.00 H new ATOM 973 N ILE A 64 -3.080 -1.871 -0.440 1.00 0.00 N ATOM 974 CA ILE A 64 -2.760 -1.764 0.978 1.00 0.00 C ATOM 975 C ILE A 64 -3.459 -2.854 1.783 1.00 0.00 C ATOM 976 O ILE A 64 -4.582 -2.670 2.252 1.00 0.00 O ATOM 977 CB ILE A 64 -3.160 -0.388 1.543 1.00 0.00 C ATOM 978 CG1 ILE A 64 -2.745 0.724 0.577 1.00 0.00 C ATOM 979 CG2 ILE A 64 -2.529 -0.172 2.910 1.00 0.00 C ATOM 980 CD1 ILE A 64 -1.249 0.935 0.505 1.00 0.00 C ATOM 0 H ILE A 64 -3.814 -1.237 -0.756 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.680 -1.885 1.068 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.244 -0.360 1.657 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.119 0.487 -0.419 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.221 1.656 0.882 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.821 0.805 3.295 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.869 -0.949 3.595 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.444 -0.217 2.821 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.028 1.738 -0.199 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.871 1.203 1.492 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.768 0.016 0.170 1.00 0.00 H new ATOM 992 N CYS A 65 -2.786 -3.988 1.941 1.00 0.00 N ATOM 993 CA CYS A 65 -3.341 -5.109 2.691 1.00 0.00 C ATOM 994 C CYS A 65 -2.869 -5.080 4.141 1.00 0.00 C ATOM 995 O CYS A 65 -1.879 -4.427 4.469 1.00 0.00 O ATOM 996 CB CYS A 65 -2.943 -6.434 2.039 1.00 0.00 C ATOM 997 SG CYS A 65 -3.504 -7.898 2.940 1.00 0.00 S ATOM 0 H CYS A 65 -1.855 -4.156 1.560 1.00 0.00 H new ATOM 0 HA CYS A 65 -4.427 -5.019 2.679 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.349 -6.465 1.028 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.857 -6.470 1.948 1.00 0.00 H new ATOM 0 HG CYS A 65 -3.121 -8.969 2.310 1.00 0.00 H new ATOM 1003 N ALA A 66 -3.585 -5.791 5.006 1.00 0.00 N ATOM 1004 CA ALA A 66 -3.240 -5.848 6.420 1.00 0.00 C ATOM 1005 C ALA A 66 -2.512 -7.145 6.757 1.00 0.00 C ATOM 1006 O ALA A 66 -1.583 -7.156 7.564 1.00 0.00 O ATOM 1007 CB ALA A 66 -4.490 -5.705 7.275 1.00 0.00 C ATOM 0 H ALA A 66 -4.409 -6.336 4.751 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.568 -5.018 6.637 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.217 -5.749 8.329 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.968 -4.748 7.064 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.183 -6.515 7.045 1.00 0.00 H new ATOM 1013 N PHE A 67 -2.941 -8.237 6.133 1.00 0.00 N ATOM 1014 CA PHE A 67 -2.331 -9.541 6.368 1.00 0.00 C ATOM 1015 C PHE A 67 -2.654 -10.505 5.230 1.00 0.00 C ATOM 1016 O PHE A 67 -3.671 -10.363 4.551 1.00 0.00 O ATOM 1017 CB PHE A 67 -2.816 -10.122 7.697 1.00 0.00 C ATOM 1018 CG PHE A 67 -4.232 -9.751 8.033 1.00 0.00 C ATOM 1019 CD1 PHE A 67 -5.295 -10.416 7.444 1.00 0.00 C ATOM 1020 CD2 PHE A 67 -4.500 -8.737 8.939 1.00 0.00 C ATOM 1021 CE1 PHE A 67 -6.599 -10.076 7.751 1.00 0.00 C ATOM 1022 CE2 PHE A 67 -5.802 -8.393 9.250 1.00 0.00 C ATOM 1023 CZ PHE A 67 -6.852 -9.064 8.656 1.00 0.00 C ATOM 0 H PHE A 67 -3.708 -8.245 5.461 1.00 0.00 H new ATOM 0 HA PHE A 67 -1.250 -9.407 6.411 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.732 -11.208 7.661 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -2.159 -9.778 8.496 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -5.103 -11.209 6.737 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -3.682 -8.210 9.407 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -7.419 -10.601 7.284 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -5.998 -7.600 9.957 1.00 0.00 H new ATOM 0 HZ PHE A 67 -7.870 -8.798 8.899 1.00 0.00 H new ATOM 1033 N ALA A 68 -1.780 -11.486 5.028 1.00 0.00 N ATOM 1034 CA ALA A 68 -1.972 -12.475 3.974 1.00 0.00 C ATOM 1035 C ALA A 68 -3.210 -13.324 4.238 1.00 0.00 C ATOM 1036 O ALA A 68 -3.931 -13.103 5.210 1.00 0.00 O ATOM 1037 CB ALA A 68 -0.740 -13.359 3.849 1.00 0.00 C ATOM 0 H ALA A 68 -0.932 -11.617 5.580 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.121 -11.944 3.034 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.897 -14.093 3.058 1.00 0.00 H new ATOM 0 HB2 ALA A 68 0.126 -12.744 3.606 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.565 -13.875 4.793 1.00 0.00 H new ATOM 1043 N ASN A 69 -3.452 -14.297 3.364 1.00 0.00 N ATOM 1044 CA ASN A 69 -4.605 -15.179 3.503 1.00 0.00 C ATOM 1045 C ASN A 69 -5.906 -14.383 3.473 1.00 0.00 C ATOM 1046 O ASN A 69 -6.827 -14.647 4.246 1.00 0.00 O ATOM 1047 CB ASN A 69 -4.511 -15.975 4.806 1.00 0.00 C ATOM 1048 CG ASN A 69 -3.400 -17.008 4.774 1.00 0.00 C ATOM 1049 OD1 ASN A 69 -3.514 -18.037 4.109 1.00 0.00 O ATOM 1050 ND2 ASN A 69 -2.319 -16.736 5.495 1.00 0.00 N ATOM 0 H ASN A 69 -2.865 -14.494 2.553 1.00 0.00 H new ATOM 0 HA ASN A 69 -4.604 -15.872 2.661 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -4.342 -15.289 5.636 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.462 -16.474 4.993 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -1.539 -17.393 5.513 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -2.268 -15.870 6.031 1.00 0.00 H new ATOM 1057 N THR A 70 -5.975 -13.407 2.573 1.00 0.00 N ATOM 1058 CA THR A 70 -7.162 -12.571 2.442 1.00 0.00 C ATOM 1059 C THR A 70 -7.787 -12.717 1.059 1.00 0.00 C ATOM 1060 O THR A 70 -7.137 -13.127 0.098 1.00 0.00 O ATOM 1061 CB THR A 70 -6.835 -11.087 2.691 1.00 0.00 C ATOM 1062 OG1 THR A 70 -5.521 -10.787 2.208 1.00 0.00 O ATOM 1063 CG2 THR A 70 -6.924 -10.754 4.173 1.00 0.00 C ATOM 0 H THR A 70 -5.223 -13.176 1.924 1.00 0.00 H new ATOM 0 HA THR A 70 -7.872 -12.910 3.197 1.00 0.00 H new ATOM 0 HB THR A 70 -7.566 -10.482 2.154 1.00 0.00 H new ATOM 0 HG1 THR A 70 -4.917 -10.647 2.967 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.689 -9.700 4.324 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.934 -10.955 4.531 1.00 0.00 H new ATOM 0 HG23 THR A 70 -6.213 -11.367 4.727 1.00 0.00 H new ATOM 1071 N PRO A 71 -9.079 -12.373 0.954 1.00 0.00 N ATOM 1072 CA PRO A 71 -9.820 -12.456 -0.309 1.00 0.00 C ATOM 1073 C PRO A 71 -9.358 -11.413 -1.322 1.00 0.00 C ATOM 1074 O PRO A 71 -9.428 -11.634 -2.531 1.00 0.00 O ATOM 1075 CB PRO A 71 -11.267 -12.188 0.111 1.00 0.00 C ATOM 1076 CG PRO A 71 -11.157 -11.388 1.362 1.00 0.00 C ATOM 1077 CD PRO A 71 -9.916 -11.875 2.058 1.00 0.00 C ATOM 0 HA PRO A 71 -9.676 -13.416 -0.804 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -11.809 -11.642 -0.661 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -11.808 -13.119 0.283 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.087 -10.323 1.139 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -12.036 -11.525 1.991 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -9.422 -11.073 2.607 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.141 -12.662 2.778 1.00 0.00 H new ATOM 1085 N LYS A 72 -8.885 -10.277 -0.820 1.00 0.00 N ATOM 1086 CA LYS A 72 -8.409 -9.201 -1.681 1.00 0.00 C ATOM 1087 C LYS A 72 -6.945 -9.410 -2.055 1.00 0.00 C ATOM 1088 O LYS A 72 -6.497 -8.972 -3.115 1.00 0.00 O ATOM 1089 CB LYS A 72 -8.580 -7.849 -0.983 1.00 0.00 C ATOM 1090 CG LYS A 72 -8.558 -6.666 -1.935 1.00 0.00 C ATOM 1091 CD LYS A 72 -9.927 -6.413 -2.542 1.00 0.00 C ATOM 1092 CE LYS A 72 -9.864 -5.367 -3.645 1.00 0.00 C ATOM 1093 NZ LYS A 72 -11.064 -5.416 -4.526 1.00 0.00 N ATOM 0 H LYS A 72 -8.821 -10.078 0.178 1.00 0.00 H new ATOM 0 HA LYS A 72 -9.004 -9.210 -2.594 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.524 -7.848 -0.437 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -7.786 -7.727 -0.246 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.225 -5.775 -1.402 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.835 -6.851 -2.730 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.325 -7.344 -2.945 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.615 -6.082 -1.764 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.780 -4.375 -3.201 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -8.967 -5.525 -4.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.790 -5.174 -5.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -11.469 -6.374 -4.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -11.772 -4.734 -4.186 1.00 0.00 H new ATOM 1107 N TYR A 73 -6.206 -10.081 -1.180 1.00 0.00 N ATOM 1108 CA TYR A 73 -4.792 -10.347 -1.418 1.00 0.00 C ATOM 1109 C TYR A 73 -4.601 -11.191 -2.675 1.00 0.00 C ATOM 1110 O TYR A 73 -3.923 -10.779 -3.616 1.00 0.00 O ATOM 1111 CB TYR A 73 -4.175 -11.060 -0.213 1.00 0.00 C ATOM 1112 CG TYR A 73 -2.843 -11.711 -0.511 1.00 0.00 C ATOM 1113 CD1 TYR A 73 -2.777 -13.011 -0.997 1.00 0.00 C ATOM 1114 CD2 TYR A 73 -1.652 -11.027 -0.306 1.00 0.00 C ATOM 1115 CE1 TYR A 73 -1.563 -13.611 -1.270 1.00 0.00 C ATOM 1116 CE2 TYR A 73 -0.433 -11.618 -0.578 1.00 0.00 C ATOM 1117 CZ TYR A 73 -0.394 -12.910 -1.060 1.00 0.00 C ATOM 1118 OH TYR A 73 0.818 -13.503 -1.330 1.00 0.00 O ATOM 0 H TYR A 73 -6.562 -10.451 -0.299 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.288 -9.391 -1.563 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.046 -10.342 0.597 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -4.870 -11.820 0.144 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.691 -13.562 -1.164 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -1.679 -10.016 0.072 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -1.530 -14.623 -1.646 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.484 -11.072 -0.414 1.00 0.00 H new ATOM 0 HH TYR A 73 1.542 -12.874 -1.129 1.00 0.00 H new ATOM 1128 N SER A 74 -5.204 -12.375 -2.682 1.00 0.00 N ATOM 1129 CA SER A 74 -5.099 -13.280 -3.821 1.00 0.00 C ATOM 1130 C SER A 74 -5.583 -12.603 -5.099 1.00 0.00 C ATOM 1131 O SER A 74 -4.897 -12.621 -6.121 1.00 0.00 O ATOM 1132 CB SER A 74 -5.911 -14.552 -3.565 1.00 0.00 C ATOM 1133 OG SER A 74 -5.564 -15.572 -4.486 1.00 0.00 O ATOM 0 H SER A 74 -5.771 -12.730 -1.912 1.00 0.00 H new ATOM 0 HA SER A 74 -4.050 -13.546 -3.947 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.735 -14.901 -2.548 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.975 -14.331 -3.646 1.00 0.00 H new ATOM 0 HG SER A 74 -6.095 -16.375 -4.301 1.00 0.00 H new ATOM 1139 N GLN A 75 -6.769 -12.006 -5.033 1.00 0.00 N ATOM 1140 CA GLN A 75 -7.345 -11.323 -6.186 1.00 0.00 C ATOM 1141 C GLN A 75 -6.322 -10.398 -6.837 1.00 0.00 C ATOM 1142 O GLN A 75 -5.924 -10.606 -7.984 1.00 0.00 O ATOM 1143 CB GLN A 75 -8.579 -10.524 -5.766 1.00 0.00 C ATOM 1144 CG GLN A 75 -9.615 -10.379 -6.870 1.00 0.00 C ATOM 1145 CD GLN A 75 -10.335 -11.680 -7.169 1.00 0.00 C ATOM 1146 OE1 GLN A 75 -10.562 -12.496 -6.275 1.00 0.00 O ATOM 1147 NE2 GLN A 75 -10.697 -11.880 -8.430 1.00 0.00 N ATOM 0 H GLN A 75 -7.349 -11.981 -4.194 1.00 0.00 H new ATOM 0 HA GLN A 75 -7.640 -12.078 -6.915 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -9.041 -11.010 -4.907 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -8.266 -9.532 -5.440 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.345 -9.622 -6.581 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -9.127 -10.022 -7.777 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -10.488 -11.176 -9.138 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -11.184 -12.737 -8.691 1.00 0.00 H new ATOM 1156 N VAL A 76 -5.902 -9.376 -6.100 1.00 0.00 N ATOM 1157 CA VAL A 76 -4.925 -8.419 -6.606 1.00 0.00 C ATOM 1158 C VAL A 76 -3.618 -9.111 -6.975 1.00 0.00 C ATOM 1159 O VAL A 76 -2.774 -8.540 -7.667 1.00 0.00 O ATOM 1160 CB VAL A 76 -4.634 -7.315 -5.572 1.00 0.00 C ATOM 1161 CG1 VAL A 76 -3.707 -6.262 -6.162 1.00 0.00 C ATOM 1162 CG2 VAL A 76 -5.930 -6.684 -5.087 1.00 0.00 C ATOM 0 H VAL A 76 -6.223 -9.189 -5.150 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.358 -7.967 -7.498 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.134 -7.767 -4.715 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.513 -5.490 -5.417 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.767 -6.728 -6.455 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.177 -5.812 -7.037 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -5.705 -5.906 -4.357 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -6.460 -6.246 -5.933 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -6.555 -7.447 -4.623 1.00 0.00 H new ATOM 1172 N LEU A 77 -3.457 -10.345 -6.511 1.00 0.00 N ATOM 1173 CA LEU A 77 -2.252 -11.118 -6.793 1.00 0.00 C ATOM 1174 C LEU A 77 -2.274 -11.660 -8.219 1.00 0.00 C ATOM 1175 O LEU A 77 -1.366 -11.400 -9.007 1.00 0.00 O ATOM 1176 CB LEU A 77 -2.117 -12.272 -5.798 1.00 0.00 C ATOM 1177 CG LEU A 77 -0.696 -12.776 -5.543 1.00 0.00 C ATOM 1178 CD1 LEU A 77 -0.665 -13.693 -4.331 1.00 0.00 C ATOM 1179 CD2 LEU A 77 -0.157 -13.494 -6.772 1.00 0.00 C ATOM 0 H LEU A 77 -4.146 -10.832 -5.938 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.393 -10.455 -6.689 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.545 -11.957 -4.847 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.718 -13.107 -6.157 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.057 -11.917 -5.339 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.354 -14.042 -4.165 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.009 -13.147 -3.453 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.318 -14.549 -4.505 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.855 -13.846 -6.573 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.797 -14.344 -7.007 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.142 -12.807 -7.618 1.00 0.00 H new ATOM 1191 N GLY A 78 -3.320 -12.415 -8.543 1.00 0.00 N ATOM 1192 CA GLY A 78 -3.442 -12.980 -9.874 1.00 0.00 C ATOM 1193 C GLY A 78 -3.640 -11.920 -10.938 1.00 0.00 C ATOM 1194 O GLY A 78 -3.148 -12.055 -12.060 1.00 0.00 O ATOM 0 H GLY A 78 -4.084 -12.645 -7.908 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.547 -13.558 -10.103 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -4.283 -13.673 -9.895 1.00 0.00 H new ATOM 1198 N LEU A 79 -4.363 -10.861 -10.590 1.00 0.00 N ATOM 1199 CA LEU A 79 -4.627 -9.773 -11.525 1.00 0.00 C ATOM 1200 C LEU A 79 -3.325 -9.198 -12.072 1.00 0.00 C ATOM 1201 O LEU A 79 -3.230 -8.864 -13.253 1.00 0.00 O ATOM 1202 CB LEU A 79 -5.437 -8.671 -10.839 1.00 0.00 C ATOM 1203 CG LEU A 79 -6.934 -8.935 -10.684 1.00 0.00 C ATOM 1204 CD1 LEU A 79 -7.530 -8.024 -9.623 1.00 0.00 C ATOM 1205 CD2 LEU A 79 -7.650 -8.748 -12.014 1.00 0.00 C ATOM 0 H LEU A 79 -4.777 -10.733 -9.667 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.204 -10.174 -12.359 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.014 -8.500 -9.849 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.308 -7.748 -11.404 1.00 0.00 H new ATOM 0 HG LEU A 79 -7.069 -9.968 -10.364 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.597 -8.227 -9.527 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.038 -8.208 -8.668 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.383 -6.983 -9.913 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -8.715 -8.940 -11.884 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -7.506 -7.726 -12.364 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -7.243 -9.444 -12.748 1.00 0.00 H new ATOM 1217 N GLY A 80 -2.322 -9.087 -11.206 1.00 0.00 N ATOM 1218 CA GLY A 80 -1.038 -8.554 -11.622 1.00 0.00 C ATOM 1219 C GLY A 80 -0.695 -7.254 -10.922 1.00 0.00 C ATOM 1220 O GLY A 80 -0.098 -6.359 -11.518 1.00 0.00 O ATOM 0 H GLY A 80 -2.376 -9.357 -10.224 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -0.260 -9.289 -11.418 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.048 -8.391 -12.700 1.00 0.00 H new ATOM 1224 N GLY A 81 -1.076 -7.150 -9.652 1.00 0.00 N ATOM 1225 CA GLY A 81 -0.798 -5.945 -8.892 1.00 0.00 C ATOM 1226 C GLY A 81 0.252 -6.165 -7.821 1.00 0.00 C ATOM 1227 O GLY A 81 0.670 -7.297 -7.575 1.00 0.00 O ATOM 0 H GLY A 81 -1.571 -7.878 -9.137 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -0.462 -5.161 -9.570 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.718 -5.592 -8.427 1.00 0.00 H new ATOM 1231 N ARG A 82 0.681 -5.081 -7.183 1.00 0.00 N ATOM 1232 CA ARG A 82 1.691 -5.160 -6.135 1.00 0.00 C ATOM 1233 C ARG A 82 1.043 -5.158 -4.754 1.00 0.00 C ATOM 1234 O ARG A 82 0.643 -4.110 -4.247 1.00 0.00 O ATOM 1235 CB ARG A 82 2.671 -3.991 -6.252 1.00 0.00 C ATOM 1236 CG ARG A 82 4.040 -4.282 -5.658 1.00 0.00 C ATOM 1237 CD ARG A 82 5.128 -3.469 -6.342 1.00 0.00 C ATOM 1238 NE ARG A 82 4.983 -3.473 -7.795 1.00 0.00 N ATOM 1239 CZ ARG A 82 5.426 -4.453 -8.575 1.00 0.00 C ATOM 1240 NH1 ARG A 82 6.038 -5.502 -8.044 1.00 0.00 N ATOM 1241 NH2 ARG A 82 5.256 -4.385 -9.889 1.00 0.00 N ATOM 0 H ARG A 82 0.345 -4.137 -7.374 1.00 0.00 H new ATOM 0 HA ARG A 82 2.236 -6.096 -6.260 1.00 0.00 H new ATOM 0 HB2 ARG A 82 2.789 -3.730 -7.304 1.00 0.00 H new ATOM 0 HB3 ARG A 82 2.246 -3.120 -5.753 1.00 0.00 H new ATOM 0 HG2 ARG A 82 4.031 -4.055 -4.592 1.00 0.00 H new ATOM 0 HG3 ARG A 82 4.262 -5.345 -5.756 1.00 0.00 H new ATOM 0 HD2 ARG A 82 5.096 -2.442 -5.977 1.00 0.00 H new ATOM 0 HD3 ARG A 82 6.104 -3.872 -6.074 1.00 0.00 H new ATOM 0 HE ARG A 82 4.516 -2.680 -8.235 1.00 0.00 H new ATOM 0 HH11 ARG A 82 6.170 -5.558 -7.034 1.00 0.00 H new ATOM 0 HH12 ARG A 82 6.377 -6.253 -8.645 1.00 0.00 H new ATOM 0 HH21 ARG A 82 4.785 -3.580 -10.301 1.00 0.00 H new ATOM 0 HH22 ARG A 82 5.597 -5.138 -10.487 1.00 0.00 H new ATOM 1255 N ILE A 83 0.941 -6.338 -4.152 1.00 0.00 N ATOM 1256 CA ILE A 83 0.342 -6.472 -2.830 1.00 0.00 C ATOM 1257 C ILE A 83 1.352 -6.149 -1.734 1.00 0.00 C ATOM 1258 O ILE A 83 2.337 -6.865 -1.552 1.00 0.00 O ATOM 1259 CB ILE A 83 -0.209 -7.892 -2.603 1.00 0.00 C ATOM 1260 CG1 ILE A 83 -1.287 -8.216 -3.639 1.00 0.00 C ATOM 1261 CG2 ILE A 83 -0.766 -8.025 -1.193 1.00 0.00 C ATOM 1262 CD1 ILE A 83 -1.394 -9.691 -3.959 1.00 0.00 C ATOM 0 H ILE A 83 1.266 -7.215 -4.559 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.482 -5.760 -2.783 1.00 0.00 H new ATOM 0 HB ILE A 83 0.607 -8.605 -2.720 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.250 -7.861 -3.272 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.074 -7.668 -4.557 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.152 -9.034 -1.048 1.00 0.00 H new ATOM 0 HG22 ILE A 83 0.026 -7.832 -0.469 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.572 -7.305 -1.051 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -2.178 -9.847 -4.700 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.443 -10.047 -4.356 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.638 -10.243 -3.052 1.00 0.00 H new ATOM 1274 N VAL A 84 1.099 -5.068 -1.003 1.00 0.00 N ATOM 1275 CA VAL A 84 1.984 -4.651 0.078 1.00 0.00 C ATOM 1276 C VAL A 84 1.219 -4.504 1.388 1.00 0.00 C ATOM 1277 O VAL A 84 -0.012 -4.512 1.404 1.00 0.00 O ATOM 1278 CB VAL A 84 2.681 -3.317 -0.250 1.00 0.00 C ATOM 1279 CG1 VAL A 84 3.729 -3.514 -1.334 1.00 0.00 C ATOM 1280 CG2 VAL A 84 1.658 -2.271 -0.668 1.00 0.00 C ATOM 0 H VAL A 84 0.288 -4.465 -1.140 1.00 0.00 H new ATOM 0 HA VAL A 84 2.739 -5.429 0.187 1.00 0.00 H new ATOM 0 HB VAL A 84 3.186 -2.960 0.648 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.210 -2.561 -1.552 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.477 -4.228 -0.991 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.251 -3.894 -2.237 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.167 -1.335 -0.896 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.123 -2.618 -1.552 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.949 -2.110 0.145 1.00 0.00 H new ATOM 1290 N ARG A 85 1.956 -4.369 2.486 1.00 0.00 N ATOM 1291 CA ARG A 85 1.347 -4.220 3.802 1.00 0.00 C ATOM 1292 C ARG A 85 0.923 -2.775 4.045 1.00 0.00 C ATOM 1293 O ARG A 85 1.178 -1.894 3.222 1.00 0.00 O ATOM 1294 CB ARG A 85 2.323 -4.666 4.892 1.00 0.00 C ATOM 1295 CG ARG A 85 2.516 -6.172 4.957 1.00 0.00 C ATOM 1296 CD ARG A 85 3.666 -6.625 4.072 1.00 0.00 C ATOM 1297 NE ARG A 85 4.938 -6.639 4.791 1.00 0.00 N ATOM 1298 CZ ARG A 85 5.197 -7.452 5.809 1.00 0.00 C ATOM 1299 NH1 ARG A 85 4.279 -8.312 6.226 1.00 0.00 N ATOM 1300 NH2 ARG A 85 6.378 -7.405 6.412 1.00 0.00 N ATOM 0 H ARG A 85 2.976 -4.360 2.490 1.00 0.00 H new ATOM 0 HA ARG A 85 0.459 -4.852 3.837 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.289 -4.191 4.719 1.00 0.00 H new ATOM 0 HB3 ARG A 85 1.962 -4.312 5.858 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.709 -6.471 5.987 1.00 0.00 H new ATOM 0 HG3 ARG A 85 1.598 -6.671 4.647 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.456 -7.623 3.687 1.00 0.00 H new ATOM 0 HD3 ARG A 85 3.744 -5.961 3.211 1.00 0.00 H new ATOM 0 HE ARG A 85 5.667 -5.989 4.495 1.00 0.00 H new ATOM 0 HH11 ARG A 85 3.370 -8.351 5.765 1.00 0.00 H new ATOM 0 HH12 ARG A 85 4.481 -8.935 7.008 1.00 0.00 H new ATOM 0 HH21 ARG A 85 7.087 -6.744 6.094 1.00 0.00 H new ATOM 0 HH22 ARG A 85 6.577 -8.029 7.194 1.00 0.00 H new ATOM 1314 N LYS A 86 0.273 -2.537 5.179 1.00 0.00 N ATOM 1315 CA LYS A 86 -0.187 -1.199 5.532 1.00 0.00 C ATOM 1316 C LYS A 86 0.953 -0.367 6.111 1.00 0.00 C ATOM 1317 O LYS A 86 0.833 0.849 6.258 1.00 0.00 O ATOM 1318 CB LYS A 86 -1.335 -1.281 6.540 1.00 0.00 C ATOM 1319 CG LYS A 86 -0.947 -1.939 7.852 1.00 0.00 C ATOM 1320 CD LYS A 86 -1.848 -1.490 8.990 1.00 0.00 C ATOM 1321 CE LYS A 86 -1.552 -2.253 10.271 1.00 0.00 C ATOM 1322 NZ LYS A 86 -0.144 -2.063 10.717 1.00 0.00 N ATOM 0 H LYS A 86 0.053 -3.254 5.870 1.00 0.00 H new ATOM 0 HA LYS A 86 -0.543 -0.713 4.624 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.702 -0.275 6.743 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.160 -1.837 6.094 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.004 -3.022 7.747 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.089 -1.696 8.089 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.713 -0.422 9.162 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.891 -1.639 8.710 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.230 -1.920 11.057 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -1.743 -3.315 10.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -0.018 -2.485 11.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 0.499 -2.525 10.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 0.072 -1.047 10.761 1.00 0.00 H new ATOM 1336 N GLU A 87 2.058 -1.031 6.437 1.00 0.00 N ATOM 1337 CA GLU A 87 3.219 -0.351 6.999 1.00 0.00 C ATOM 1338 C GLU A 87 3.901 0.520 5.948 1.00 0.00 C ATOM 1339 O GLU A 87 4.434 1.585 6.260 1.00 0.00 O ATOM 1340 CB GLU A 87 4.214 -1.370 7.557 1.00 0.00 C ATOM 1341 CG GLU A 87 3.946 -1.756 9.002 1.00 0.00 C ATOM 1342 CD GLU A 87 4.519 -0.756 9.988 1.00 0.00 C ATOM 1343 OE1 GLU A 87 3.866 0.282 10.227 1.00 0.00 O ATOM 1344 OE2 GLU A 87 5.619 -1.011 10.521 1.00 0.00 O ATOM 0 H GLU A 87 2.173 -2.038 6.322 1.00 0.00 H new ATOM 0 HA GLU A 87 2.875 0.291 7.810 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.186 -2.268 6.939 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.221 -0.961 7.480 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.871 -1.840 9.158 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.374 -2.739 9.197 1.00 0.00 H new ATOM 1351 N TRP A 88 3.881 0.060 4.703 1.00 0.00 N ATOM 1352 CA TRP A 88 4.498 0.796 3.605 1.00 0.00 C ATOM 1353 C TRP A 88 4.051 2.253 3.608 1.00 0.00 C ATOM 1354 O TRP A 88 4.831 3.152 3.922 1.00 0.00 O ATOM 1355 CB TRP A 88 4.148 0.145 2.266 1.00 0.00 C ATOM 1356 CG TRP A 88 4.721 0.868 1.086 1.00 0.00 C ATOM 1357 CD1 TRP A 88 6.041 0.976 0.753 1.00 0.00 C ATOM 1358 CD2 TRP A 88 3.992 1.585 0.084 1.00 0.00 C ATOM 1359 NE1 TRP A 88 6.177 1.718 -0.396 1.00 0.00 N ATOM 1360 CE2 TRP A 88 4.935 2.102 -0.827 1.00 0.00 C ATOM 1361 CE3 TRP A 88 2.636 1.840 -0.135 1.00 0.00 C ATOM 1362 CZ2 TRP A 88 4.562 2.858 -1.935 1.00 0.00 C ATOM 1363 CZ3 TRP A 88 2.267 2.590 -1.235 1.00 0.00 C ATOM 1364 CH2 TRP A 88 3.227 3.092 -2.124 1.00 0.00 C ATOM 0 H TRP A 88 3.444 -0.820 4.428 1.00 0.00 H new ATOM 0 HA TRP A 88 5.579 0.766 3.743 1.00 0.00 H new ATOM 0 HB2 TRP A 88 4.511 -0.883 2.264 1.00 0.00 H new ATOM 0 HB3 TRP A 88 3.064 0.101 2.164 1.00 0.00 H new ATOM 0 HD1 TRP A 88 6.858 0.542 1.310 1.00 0.00 H new ATOM 0 HE1 TRP A 88 7.060 1.946 -0.853 1.00 0.00 H new ATOM 0 HE3 TRP A 88 1.889 1.457 0.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 5.300 3.246 -2.621 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 1.221 2.793 -1.413 1.00 0.00 H new ATOM 0 HH2 TRP A 88 2.907 3.675 -2.975 1.00 0.00 H new ATOM 1375 N VAL A 89 2.789 2.482 3.257 1.00 0.00 N ATOM 1376 CA VAL A 89 2.238 3.831 3.221 1.00 0.00 C ATOM 1377 C VAL A 89 2.352 4.508 4.581 1.00 0.00 C ATOM 1378 O VAL A 89 2.839 5.634 4.688 1.00 0.00 O ATOM 1379 CB VAL A 89 0.760 3.822 2.786 1.00 0.00 C ATOM 1380 CG1 VAL A 89 -0.116 3.237 3.884 1.00 0.00 C ATOM 1381 CG2 VAL A 89 0.304 5.226 2.420 1.00 0.00 C ATOM 0 H VAL A 89 2.129 1.750 2.994 1.00 0.00 H new ATOM 0 HA VAL A 89 2.821 4.391 2.490 1.00 0.00 H new ATOM 0 HB VAL A 89 0.663 3.192 1.902 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.156 3.239 3.559 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.197 2.214 4.093 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.017 3.839 4.788 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.742 5.201 2.115 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.415 5.881 3.284 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.912 5.603 1.598 1.00 0.00 H new ATOM 1391 N LEU A 90 1.900 3.815 5.621 1.00 0.00 N ATOM 1392 CA LEU A 90 1.952 4.349 6.977 1.00 0.00 C ATOM 1393 C LEU A 90 3.330 4.926 7.283 1.00 0.00 C ATOM 1394 O LEU A 90 3.447 5.998 7.877 1.00 0.00 O ATOM 1395 CB LEU A 90 1.609 3.255 7.990 1.00 0.00 C ATOM 1396 CG LEU A 90 0.132 2.874 8.092 1.00 0.00 C ATOM 1397 CD1 LEU A 90 -0.036 1.598 8.902 1.00 0.00 C ATOM 1398 CD2 LEU A 90 -0.670 4.010 8.711 1.00 0.00 C ATOM 0 H LEU A 90 1.493 2.882 5.551 1.00 0.00 H new ATOM 0 HA LEU A 90 1.218 5.151 7.054 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.178 2.361 7.735 1.00 0.00 H new ATOM 0 HB3 LEU A 90 1.949 3.579 8.974 1.00 0.00 H new ATOM 0 HG LEU A 90 -0.247 2.694 7.086 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -1.094 1.343 8.964 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.506 0.786 8.418 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.360 1.750 9.906 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -1.719 3.721 8.776 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -0.289 4.222 9.710 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -0.577 4.901 8.091 1.00 0.00 H new ATOM 1410 N ASP A 91 4.371 4.210 6.871 1.00 0.00 N ATOM 1411 CA ASP A 91 5.742 4.653 7.098 1.00 0.00 C ATOM 1412 C ASP A 91 6.100 5.808 6.168 1.00 0.00 C ATOM 1413 O ASP A 91 6.496 6.883 6.621 1.00 0.00 O ATOM 1414 CB ASP A 91 6.716 3.493 6.889 1.00 0.00 C ATOM 1415 CG ASP A 91 6.877 2.641 8.133 1.00 0.00 C ATOM 1416 OD1 ASP A 91 6.107 1.671 8.291 1.00 0.00 O ATOM 1417 OD2 ASP A 91 7.772 2.945 8.950 1.00 0.00 O ATOM 0 H ASP A 91 4.291 3.321 6.378 1.00 0.00 H new ATOM 0 HA ASP A 91 5.820 5.002 8.128 1.00 0.00 H new ATOM 0 HB2 ASP A 91 6.363 2.869 6.068 1.00 0.00 H new ATOM 0 HB3 ASP A 91 7.688 3.887 6.594 1.00 0.00 H new ATOM 1422 N CYS A 92 5.961 5.578 4.867 1.00 0.00 N ATOM 1423 CA CYS A 92 6.272 6.599 3.873 1.00 0.00 C ATOM 1424 C CYS A 92 5.839 7.979 4.357 1.00 0.00 C ATOM 1425 O CYS A 92 6.573 8.946 4.157 1.00 0.00 O ATOM 1426 CB CYS A 92 5.588 6.273 2.545 1.00 0.00 C ATOM 1427 SG CYS A 92 6.486 5.080 1.525 1.00 0.00 S ATOM 0 H CYS A 92 5.635 4.694 4.476 1.00 0.00 H new ATOM 0 HA CYS A 92 7.352 6.609 3.724 1.00 0.00 H new ATOM 0 HB2 CYS A 92 4.591 5.883 2.748 1.00 0.00 H new ATOM 0 HB3 CYS A 92 5.460 7.195 1.979 1.00 0.00 H new ATOM 0 HG CYS A 92 5.828 4.868 0.424 1.00 0.00 H new ATOM 1433 N HIS A 93 4.668 8.042 4.974 1.00 0.00 N ATOM 1434 CA HIS A 93 4.153 9.304 5.476 1.00 0.00 C ATOM 1435 C HIS A 93 4.931 9.715 6.727 1.00 0.00 C ATOM 1436 O HIS A 93 5.520 10.793 6.805 1.00 0.00 O ATOM 1437 CB HIS A 93 2.644 9.218 5.717 1.00 0.00 C ATOM 1438 CG HIS A 93 1.999 10.541 6.052 1.00 0.00 C ATOM 1439 ND1 HIS A 93 1.872 11.007 7.349 1.00 0.00 N ATOM 1440 CD2 HIS A 93 1.447 11.493 5.245 1.00 0.00 C ATOM 1441 CE1 HIS A 93 1.269 12.186 7.313 1.00 0.00 C ATOM 1442 NE2 HIS A 93 1.006 12.485 6.008 1.00 0.00 N ATOM 0 H HIS A 93 4.061 7.239 5.138 1.00 0.00 H new ATOM 0 HA HIS A 93 4.299 10.083 4.728 1.00 0.00 H new ATOM 0 HB2 HIS A 93 2.167 8.808 4.827 1.00 0.00 H new ATOM 0 HB3 HIS A 93 2.456 8.517 6.531 1.00 0.00 H new ATOM 0 HD1 HIS A 93 2.189 10.525 8.190 1.00 0.00 H new ATOM 0 HD2 HIS A 93 1.380 11.447 4.168 1.00 0.00 H new ATOM 0 HE1 HIS A 93 1.028 12.802 8.167 1.00 0.00 H new ATOM 1450 N ARG A 94 4.919 8.823 7.713 1.00 0.00 N ATOM 1451 CA ARG A 94 5.614 9.068 8.972 1.00 0.00 C ATOM 1452 C ARG A 94 6.986 9.688 8.724 1.00 0.00 C ATOM 1453 O ARG A 94 7.315 10.733 9.285 1.00 0.00 O ATOM 1454 CB ARG A 94 5.766 7.763 9.756 1.00 0.00 C ATOM 1455 CG ARG A 94 6.473 7.934 11.091 1.00 0.00 C ATOM 1456 CD ARG A 94 5.506 8.367 12.182 1.00 0.00 C ATOM 1457 NE ARG A 94 5.318 9.815 12.203 1.00 0.00 N ATOM 1458 CZ ARG A 94 6.154 10.656 12.802 1.00 0.00 C ATOM 1459 NH1 ARG A 94 7.230 10.196 13.425 1.00 0.00 N ATOM 1460 NH2 ARG A 94 5.914 11.961 12.778 1.00 0.00 N ATOM 0 H ARG A 94 4.437 7.926 7.665 1.00 0.00 H new ATOM 0 HA ARG A 94 5.019 9.769 9.557 1.00 0.00 H new ATOM 0 HB2 ARG A 94 4.778 7.336 9.929 1.00 0.00 H new ATOM 0 HB3 ARG A 94 6.321 7.047 9.150 1.00 0.00 H new ATOM 0 HG2 ARG A 94 6.947 6.995 11.376 1.00 0.00 H new ATOM 0 HG3 ARG A 94 7.266 8.675 10.992 1.00 0.00 H new ATOM 0 HD2 ARG A 94 4.544 7.879 12.028 1.00 0.00 H new ATOM 0 HD3 ARG A 94 5.880 8.036 13.151 1.00 0.00 H new ATOM 0 HE ARG A 94 4.500 10.202 11.732 1.00 0.00 H new ATOM 0 HH11 ARG A 94 7.418 9.194 13.445 1.00 0.00 H new ATOM 0 HH12 ARG A 94 7.870 10.844 13.884 1.00 0.00 H new ATOM 0 HH21 ARG A 94 5.087 12.319 12.300 1.00 0.00 H new ATOM 0 HH22 ARG A 94 6.556 12.606 13.238 1.00 0.00 H new ATOM 1474 N MET A 95 7.781 9.036 7.882 1.00 0.00 N ATOM 1475 CA MET A 95 9.117 9.524 7.561 1.00 0.00 C ATOM 1476 C MET A 95 9.060 10.575 6.457 1.00 0.00 C ATOM 1477 O MET A 95 9.994 11.360 6.286 1.00 0.00 O ATOM 1478 CB MET A 95 10.017 8.364 7.130 1.00 0.00 C ATOM 1479 CG MET A 95 10.148 7.274 8.182 1.00 0.00 C ATOM 1480 SD MET A 95 11.641 6.285 7.974 1.00 0.00 S ATOM 1481 CE MET A 95 10.938 4.649 7.775 1.00 0.00 C ATOM 0 H MET A 95 7.523 8.169 7.410 1.00 0.00 H new ATOM 0 HA MET A 95 9.534 9.985 8.457 1.00 0.00 H new ATOM 0 HB2 MET A 95 9.620 7.927 6.214 1.00 0.00 H new ATOM 0 HB3 MET A 95 11.008 8.752 6.895 1.00 0.00 H new ATOM 0 HG2 MET A 95 10.153 7.729 9.172 1.00 0.00 H new ATOM 0 HG3 MET A 95 9.276 6.622 8.135 1.00 0.00 H new ATOM 0 HE1 MET A 95 11.653 4.006 7.262 1.00 0.00 H new ATOM 0 HE2 MET A 95 10.710 4.229 8.755 1.00 0.00 H new ATOM 0 HE3 MET A 95 10.023 4.715 7.187 1.00 0.00 H new ATOM 1491 N ARG A 96 7.960 10.586 5.711 1.00 0.00 N ATOM 1492 CA ARG A 96 7.784 11.540 4.623 1.00 0.00 C ATOM 1493 C ARG A 96 8.859 11.354 3.557 1.00 0.00 C ATOM 1494 O ARG A 96 9.411 12.326 3.041 1.00 0.00 O ATOM 1495 CB ARG A 96 7.826 12.972 5.161 1.00 0.00 C ATOM 1496 CG ARG A 96 6.889 13.210 6.334 1.00 0.00 C ATOM 1497 CD ARG A 96 7.158 14.551 6.998 1.00 0.00 C ATOM 1498 NE ARG A 96 8.156 14.447 8.059 1.00 0.00 N ATOM 1499 CZ ARG A 96 8.326 15.368 9.000 1.00 0.00 C ATOM 1500 NH1 ARG A 96 7.569 16.457 9.013 1.00 0.00 N ATOM 1501 NH2 ARG A 96 9.256 15.202 9.933 1.00 0.00 N ATOM 0 H ARG A 96 7.177 9.945 5.840 1.00 0.00 H new ATOM 0 HA ARG A 96 6.811 11.358 4.168 1.00 0.00 H new ATOM 0 HB2 ARG A 96 8.845 13.206 5.468 1.00 0.00 H new ATOM 0 HB3 ARG A 96 7.569 13.661 4.356 1.00 0.00 H new ATOM 0 HG2 ARG A 96 5.856 13.174 5.989 1.00 0.00 H new ATOM 0 HG3 ARG A 96 7.009 12.410 7.065 1.00 0.00 H new ATOM 0 HD2 ARG A 96 7.499 15.265 6.248 1.00 0.00 H new ATOM 0 HD3 ARG A 96 6.229 14.943 7.412 1.00 0.00 H new ATOM 0 HE ARG A 96 8.755 13.622 8.078 1.00 0.00 H new ATOM 0 HH11 ARG A 96 6.853 16.589 8.298 1.00 0.00 H new ATOM 0 HH12 ARG A 96 7.703 17.162 9.738 1.00 0.00 H new ATOM 0 HH21 ARG A 96 9.841 14.366 9.927 1.00 0.00 H new ATOM 0 HH22 ARG A 96 9.386 15.910 10.655 1.00 0.00 H new ATOM 1515 N ARG A 97 9.152 10.099 3.232 1.00 0.00 N ATOM 1516 CA ARG A 97 10.162 9.785 2.228 1.00 0.00 C ATOM 1517 C ARG A 97 9.736 8.587 1.384 1.00 0.00 C ATOM 1518 O ARG A 97 8.817 7.854 1.749 1.00 0.00 O ATOM 1519 CB ARG A 97 11.506 9.498 2.899 1.00 0.00 C ATOM 1520 CG ARG A 97 11.422 8.472 4.018 1.00 0.00 C ATOM 1521 CD ARG A 97 12.785 8.211 4.639 1.00 0.00 C ATOM 1522 NE ARG A 97 13.282 9.371 5.375 1.00 0.00 N ATOM 1523 CZ ARG A 97 13.942 10.374 4.807 1.00 0.00 C ATOM 1524 NH1 ARG A 97 14.183 10.360 3.503 1.00 0.00 N ATOM 1525 NH2 ARG A 97 14.362 11.394 5.543 1.00 0.00 N ATOM 0 H ARG A 97 8.704 9.283 3.649 1.00 0.00 H new ATOM 0 HA ARG A 97 10.268 10.649 1.573 1.00 0.00 H new ATOM 0 HB2 ARG A 97 12.210 9.145 2.146 1.00 0.00 H new ATOM 0 HB3 ARG A 97 11.908 10.428 3.300 1.00 0.00 H new ATOM 0 HG2 ARG A 97 10.733 8.825 4.785 1.00 0.00 H new ATOM 0 HG3 ARG A 97 11.014 7.539 3.628 1.00 0.00 H new ATOM 0 HD2 ARG A 97 12.719 7.356 5.312 1.00 0.00 H new ATOM 0 HD3 ARG A 97 13.496 7.947 3.856 1.00 0.00 H new ATOM 0 HE ARG A 97 13.113 9.413 6.380 1.00 0.00 H new ATOM 0 HH11 ARG A 97 13.861 9.578 2.933 1.00 0.00 H new ATOM 0 HH12 ARG A 97 14.690 11.132 3.070 1.00 0.00 H new ATOM 0 HH21 ARG A 97 14.178 11.409 6.546 1.00 0.00 H new ATOM 0 HH22 ARG A 97 14.869 12.164 5.106 1.00 0.00 H new ATOM 1539 N ARG A 98 10.411 8.395 0.256 1.00 0.00 N ATOM 1540 CA ARG A 98 10.102 7.288 -0.641 1.00 0.00 C ATOM 1541 C ARG A 98 10.826 6.018 -0.205 1.00 0.00 C ATOM 1542 O ARG A 98 12.056 5.983 -0.140 1.00 0.00 O ATOM 1543 CB ARG A 98 10.490 7.643 -2.077 1.00 0.00 C ATOM 1544 CG ARG A 98 9.808 6.777 -3.124 1.00 0.00 C ATOM 1545 CD ARG A 98 10.023 7.325 -4.526 1.00 0.00 C ATOM 1546 NE ARG A 98 10.020 6.268 -5.533 1.00 0.00 N ATOM 1547 CZ ARG A 98 10.093 6.497 -6.840 1.00 0.00 C ATOM 1548 NH1 ARG A 98 10.175 7.740 -7.295 1.00 0.00 N ATOM 1549 NH2 ARG A 98 10.085 5.482 -7.694 1.00 0.00 N ATOM 0 H ARG A 98 11.176 8.992 -0.059 1.00 0.00 H new ATOM 0 HA ARG A 98 9.028 7.106 -0.598 1.00 0.00 H new ATOM 0 HB2 ARG A 98 10.241 8.688 -2.264 1.00 0.00 H new ATOM 0 HB3 ARG A 98 11.570 7.548 -2.187 1.00 0.00 H new ATOM 0 HG2 ARG A 98 10.197 5.760 -3.066 1.00 0.00 H new ATOM 0 HG3 ARG A 98 8.740 6.723 -2.913 1.00 0.00 H new ATOM 0 HD2 ARG A 98 9.240 8.048 -4.757 1.00 0.00 H new ATOM 0 HD3 ARG A 98 10.972 7.860 -4.565 1.00 0.00 H new ATOM 0 HE ARG A 98 9.958 5.300 -5.216 1.00 0.00 H new ATOM 0 HH11 ARG A 98 10.182 8.523 -6.641 1.00 0.00 H new ATOM 0 HH12 ARG A 98 10.231 7.913 -8.299 1.00 0.00 H new ATOM 0 HH21 ARG A 98 10.023 4.525 -7.348 1.00 0.00 H new ATOM 0 HH22 ARG A 98 10.141 5.659 -8.697 1.00 0.00 H new ATOM 1563 N LEU A 99 10.057 4.976 0.092 1.00 0.00 N ATOM 1564 CA LEU A 99 10.625 3.703 0.522 1.00 0.00 C ATOM 1565 C LEU A 99 10.398 2.623 -0.530 1.00 0.00 C ATOM 1566 O LEU A 99 9.439 2.664 -1.301 1.00 0.00 O ATOM 1567 CB LEU A 99 10.009 3.271 1.854 1.00 0.00 C ATOM 1568 CG LEU A 99 10.089 4.289 2.992 1.00 0.00 C ATOM 1569 CD1 LEU A 99 9.260 3.827 4.181 1.00 0.00 C ATOM 1570 CD2 LEU A 99 11.536 4.516 3.404 1.00 0.00 C ATOM 0 H LEU A 99 9.038 4.988 0.043 1.00 0.00 H new ATOM 0 HA LEU A 99 11.699 3.838 0.652 1.00 0.00 H new ATOM 0 HB2 LEU A 99 8.960 3.027 1.684 1.00 0.00 H new ATOM 0 HB3 LEU A 99 10.501 2.354 2.178 1.00 0.00 H new ATOM 0 HG LEU A 99 9.681 5.235 2.637 1.00 0.00 H new ATOM 0 HD11 LEU A 99 9.329 4.564 4.981 1.00 0.00 H new ATOM 0 HD12 LEU A 99 8.219 3.717 3.878 1.00 0.00 H new ATOM 0 HD13 LEU A 99 9.637 2.868 4.537 1.00 0.00 H new ATOM 0 HD21 LEU A 99 11.574 5.243 4.215 1.00 0.00 H new ATOM 0 HD22 LEU A 99 11.970 3.575 3.740 1.00 0.00 H new ATOM 0 HD23 LEU A 99 12.102 4.893 2.552 1.00 0.00 H new ATOM 1582 N PRO A 100 11.300 1.630 -0.564 1.00 0.00 N ATOM 1583 CA PRO A 100 11.218 0.518 -1.515 1.00 0.00 C ATOM 1584 C PRO A 100 10.053 -0.418 -1.213 1.00 0.00 C ATOM 1585 O PRO A 100 10.148 -1.282 -0.341 1.00 0.00 O ATOM 1586 CB PRO A 100 12.551 -0.209 -1.326 1.00 0.00 C ATOM 1587 CG PRO A 100 12.971 0.124 0.064 1.00 0.00 C ATOM 1588 CD PRO A 100 12.468 1.517 0.326 1.00 0.00 C ATOM 0 HA PRO A 100 11.047 0.865 -2.534 1.00 0.00 H new ATOM 0 HB2 PRO A 100 12.437 -1.285 -1.458 1.00 0.00 H new ATOM 0 HB3 PRO A 100 13.291 0.125 -2.054 1.00 0.00 H new ATOM 0 HG2 PRO A 100 12.551 -0.584 0.779 1.00 0.00 H new ATOM 0 HG3 PRO A 100 14.055 0.075 0.167 1.00 0.00 H new ATOM 0 HD2 PRO A 100 12.192 1.655 1.371 1.00 0.00 H new ATOM 0 HD3 PRO A 100 13.224 2.268 0.095 1.00 0.00 H new ATOM 1596 N SER A 101 8.954 -0.242 -1.941 1.00 0.00 N ATOM 1597 CA SER A 101 7.769 -1.069 -1.748 1.00 0.00 C ATOM 1598 C SER A 101 8.135 -2.551 -1.750 1.00 0.00 C ATOM 1599 O SER A 101 7.476 -3.364 -1.103 1.00 0.00 O ATOM 1600 CB SER A 101 6.739 -0.785 -2.843 1.00 0.00 C ATOM 1601 OG SER A 101 7.332 -0.847 -4.129 1.00 0.00 O ATOM 0 H SER A 101 8.860 0.466 -2.669 1.00 0.00 H new ATOM 0 HA SER A 101 7.336 -0.820 -0.779 1.00 0.00 H new ATOM 0 HB2 SER A 101 5.926 -1.508 -2.779 1.00 0.00 H new ATOM 0 HB3 SER A 101 6.301 0.201 -2.688 1.00 0.00 H new ATOM 0 HG SER A 101 6.653 -0.664 -4.811 1.00 0.00 H new ATOM 1607 N GLN A 102 9.190 -2.892 -2.482 1.00 0.00 N ATOM 1608 CA GLN A 102 9.643 -4.275 -2.569 1.00 0.00 C ATOM 1609 C GLN A 102 9.852 -4.868 -1.180 1.00 0.00 C ATOM 1610 O GLN A 102 9.470 -6.009 -0.917 1.00 0.00 O ATOM 1611 CB GLN A 102 10.942 -4.359 -3.373 1.00 0.00 C ATOM 1612 CG GLN A 102 11.331 -5.778 -3.754 1.00 0.00 C ATOM 1613 CD GLN A 102 11.798 -6.594 -2.565 1.00 0.00 C ATOM 1614 OE1 GLN A 102 12.115 -6.048 -1.508 1.00 0.00 O ATOM 1615 NE2 GLN A 102 11.842 -7.911 -2.731 1.00 0.00 N ATOM 0 H GLN A 102 9.747 -2.230 -3.023 1.00 0.00 H new ATOM 0 HA GLN A 102 8.871 -4.852 -3.078 1.00 0.00 H new ATOM 0 HB2 GLN A 102 10.837 -3.764 -4.280 1.00 0.00 H new ATOM 0 HB3 GLN A 102 11.749 -3.914 -2.791 1.00 0.00 H new ATOM 0 HG2 GLN A 102 10.477 -6.273 -4.217 1.00 0.00 H new ATOM 0 HG3 GLN A 102 12.124 -5.745 -4.501 1.00 0.00 H new ATOM 0 HE21 GLN A 102 11.570 -8.322 -3.624 1.00 0.00 H new ATOM 0 HE22 GLN A 102 12.147 -8.512 -1.965 1.00 0.00 H new ATOM 1624 N ARG A 103 10.462 -4.087 -0.294 1.00 0.00 N ATOM 1625 CA ARG A 103 10.723 -4.535 1.068 1.00 0.00 C ATOM 1626 C ARG A 103 9.434 -4.578 1.884 1.00 0.00 C ATOM 1627 O ARG A 103 9.419 -5.060 3.016 1.00 0.00 O ATOM 1628 CB ARG A 103 11.737 -3.612 1.746 1.00 0.00 C ATOM 1629 CG ARG A 103 13.183 -4.015 1.507 1.00 0.00 C ATOM 1630 CD ARG A 103 14.122 -3.330 2.487 1.00 0.00 C ATOM 1631 NE ARG A 103 14.054 -3.927 3.818 1.00 0.00 N ATOM 1632 CZ ARG A 103 14.586 -3.371 4.901 1.00 0.00 C ATOM 1633 NH1 ARG A 103 15.221 -2.211 4.811 1.00 0.00 N ATOM 1634 NH2 ARG A 103 14.482 -3.976 6.078 1.00 0.00 N ATOM 0 H ARG A 103 10.785 -3.141 -0.496 1.00 0.00 H new ATOM 0 HA ARG A 103 11.135 -5.543 1.019 1.00 0.00 H new ATOM 0 HB2 ARG A 103 11.588 -2.595 1.384 1.00 0.00 H new ATOM 0 HB3 ARG A 103 11.545 -3.601 2.819 1.00 0.00 H new ATOM 0 HG2 ARG A 103 13.281 -5.096 1.603 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.469 -3.758 0.487 1.00 0.00 H new ATOM 0 HD2 ARG A 103 15.144 -3.392 2.114 1.00 0.00 H new ATOM 0 HD3 ARG A 103 13.870 -2.271 2.551 1.00 0.00 H new ATOM 0 HE ARG A 103 13.572 -4.820 3.922 1.00 0.00 H new ATOM 0 HH11 ARG A 103 15.302 -1.743 3.908 1.00 0.00 H new ATOM 0 HH12 ARG A 103 15.628 -1.787 5.644 1.00 0.00 H new ATOM 0 HH21 ARG A 103 13.993 -4.868 6.151 1.00 0.00 H new ATOM 0 HH22 ARG A 103 14.891 -3.549 6.909 1.00 0.00 H new ATOM 1648 N TYR A 104 8.354 -4.070 1.300 1.00 0.00 N ATOM 1649 CA TYR A 104 7.061 -4.047 1.973 1.00 0.00 C ATOM 1650 C TYR A 104 6.016 -4.818 1.172 1.00 0.00 C ATOM 1651 O TYR A 104 4.880 -4.993 1.615 1.00 0.00 O ATOM 1652 CB TYR A 104 6.597 -2.605 2.182 1.00 0.00 C ATOM 1653 CG TYR A 104 7.535 -1.785 3.039 1.00 0.00 C ATOM 1654 CD1 TYR A 104 8.762 -1.357 2.546 1.00 0.00 C ATOM 1655 CD2 TYR A 104 7.196 -1.439 4.341 1.00 0.00 C ATOM 1656 CE1 TYR A 104 9.623 -0.609 3.325 1.00 0.00 C ATOM 1657 CE2 TYR A 104 8.050 -0.690 5.127 1.00 0.00 C ATOM 1658 CZ TYR A 104 9.262 -0.277 4.614 1.00 0.00 C ATOM 1659 OH TYR A 104 10.117 0.468 5.394 1.00 0.00 O ATOM 0 H TYR A 104 8.349 -3.669 0.362 1.00 0.00 H new ATOM 0 HA TYR A 104 7.177 -4.529 2.944 1.00 0.00 H new ATOM 0 HB2 TYR A 104 6.490 -2.122 1.211 1.00 0.00 H new ATOM 0 HB3 TYR A 104 5.610 -2.613 2.644 1.00 0.00 H new ATOM 0 HD1 TYR A 104 9.047 -1.614 1.536 1.00 0.00 H new ATOM 0 HD2 TYR A 104 6.248 -1.761 4.746 1.00 0.00 H new ATOM 0 HE1 TYR A 104 10.574 -0.286 2.927 1.00 0.00 H new ATOM 0 HE2 TYR A 104 7.770 -0.429 6.137 1.00 0.00 H new ATOM 0 HH TYR A 104 9.712 0.616 6.274 1.00 0.00 H new ATOM 1669 N LEU A 105 6.408 -5.278 -0.011 1.00 0.00 N ATOM 1670 CA LEU A 105 5.507 -6.031 -0.877 1.00 0.00 C ATOM 1671 C LEU A 105 5.581 -7.524 -0.571 1.00 0.00 C ATOM 1672 O LEU A 105 6.661 -8.115 -0.573 1.00 0.00 O ATOM 1673 CB LEU A 105 5.852 -5.782 -2.346 1.00 0.00 C ATOM 1674 CG LEU A 105 6.834 -6.766 -2.981 1.00 0.00 C ATOM 1675 CD1 LEU A 105 6.177 -8.123 -3.180 1.00 0.00 C ATOM 1676 CD2 LEU A 105 7.352 -6.223 -4.305 1.00 0.00 C ATOM 0 H LEU A 105 7.344 -5.143 -0.393 1.00 0.00 H new ATOM 0 HA LEU A 105 4.490 -5.689 -0.687 1.00 0.00 H new ATOM 0 HB2 LEU A 105 4.928 -5.799 -2.923 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.266 -4.778 -2.436 1.00 0.00 H new ATOM 0 HG LEU A 105 7.681 -6.891 -2.306 1.00 0.00 H new ATOM 0 HD11 LEU A 105 6.891 -8.810 -3.633 1.00 0.00 H new ATOM 0 HD12 LEU A 105 5.856 -8.517 -2.216 1.00 0.00 H new ATOM 0 HD13 LEU A 105 5.312 -8.016 -3.834 1.00 0.00 H new ATOM 0 HD21 LEU A 105 8.050 -6.937 -4.743 1.00 0.00 H new ATOM 0 HD22 LEU A 105 6.516 -6.068 -4.987 1.00 0.00 H new ATOM 0 HD23 LEU A 105 7.862 -5.275 -4.135 1.00 0.00 H new ATOM 1688 N MET A 106 4.426 -8.128 -0.312 1.00 0.00 N ATOM 1689 CA MET A 106 4.360 -9.553 -0.009 1.00 0.00 C ATOM 1690 C MET A 106 4.541 -10.386 -1.274 1.00 0.00 C ATOM 1691 O MET A 106 5.452 -11.209 -1.361 1.00 0.00 O ATOM 1692 CB MET A 106 3.024 -9.893 0.654 1.00 0.00 C ATOM 1693 CG MET A 106 2.860 -9.286 2.038 1.00 0.00 C ATOM 1694 SD MET A 106 1.579 -10.104 3.008 1.00 0.00 S ATOM 1695 CE MET A 106 0.251 -8.907 2.892 1.00 0.00 C ATOM 0 H MET A 106 3.523 -7.653 -0.306 1.00 0.00 H new ATOM 0 HA MET A 106 5.170 -9.791 0.680 1.00 0.00 H new ATOM 0 HB2 MET A 106 2.212 -9.545 0.015 1.00 0.00 H new ATOM 0 HB3 MET A 106 2.930 -10.976 0.728 1.00 0.00 H new ATOM 0 HG2 MET A 106 3.809 -9.346 2.572 1.00 0.00 H new ATOM 0 HG3 MET A 106 2.616 -8.228 1.940 1.00 0.00 H new ATOM 0 HE1 MET A 106 -0.433 -9.040 3.730 1.00 0.00 H new ATOM 0 HE2 MET A 106 0.666 -7.899 2.919 1.00 0.00 H new ATOM 0 HE3 MET A 106 -0.289 -9.052 1.956 1.00 0.00 H new