USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 631 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 45 CYS SG : rot -25:sc= -1.59! USER MOD Set 1.2: A 67 GLN : amide:sc= -0.52 K(o=-2.1,f=-3.5) USER MOD Set 2.1: A 18 CYS SG : rot 4:sc= 0.79 USER MOD Set 2.2: A 36 TYR OH : rot -63:sc= 1.37 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0713 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 44 ASN :FLIP amide:sc= -1.33 F(o=-2.2!,f=-1.3) USER MOD Single : A 49 TYR OH : rot 180:sc= -0.729 USER MOD Single : A 50 MET CE :methyl 173:sc= -0.163 (180deg=-0.21) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= -0.173 USER MOD Single : A 88 CYS SG : rot -63:sc= -0.653 USER MOD Single : A 92 ASN : amide:sc=-0.00936 X(o=-0.0094,f=-0.081) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc=-0.00107 X(o=-0.0011,f=-0.032) USER MOD Single : A 103 ASN : amide:sc= -0.284 X(o=-0.28,f=0) USER MOD Single : A 105 GLN : amide:sc= -0.0108 X(o=-0.011,f=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 ASN : amide:sc= 0.858 K(o=0.86,f=-1.6) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 SER OG : rot -80:sc= 0.385 USER MOD ----------------------------------------------------------------- ATOM 201 N ARG A 16 2.264 2.083 -4.609 1.00 0.00 N ATOM 202 CA ARG A 16 2.301 3.492 -4.258 1.00 0.00 C ATOM 203 C ARG A 16 1.076 4.213 -4.824 1.00 0.00 C ATOM 204 O ARG A 16 0.585 3.861 -5.895 1.00 0.00 O ATOM 205 CB ARG A 16 3.569 4.160 -4.793 1.00 0.00 C ATOM 206 CG ARG A 16 3.384 5.675 -4.909 1.00 0.00 C ATOM 207 CD ARG A 16 4.733 6.396 -4.878 1.00 0.00 C ATOM 208 NE ARG A 16 4.750 7.482 -5.884 1.00 0.00 N ATOM 209 CZ ARG A 16 4.898 7.283 -7.201 1.00 0.00 C ATOM 210 NH1 ARG A 16 5.043 6.040 -7.679 1.00 0.00 N ATOM 211 NH2 ARG A 16 4.901 8.328 -8.039 1.00 0.00 N ATOM 0 HA ARG A 16 2.298 3.562 -3.170 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.406 3.942 -4.130 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.819 3.745 -5.769 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.863 5.911 -5.837 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.758 6.032 -4.091 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.912 6.807 -3.884 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.537 5.689 -5.081 1.00 0.00 H new ATOM 0 HE ARG A 16 4.642 8.441 -5.554 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.041 5.245 -7.040 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.156 5.889 -8.681 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.791 9.274 -7.675 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.014 8.177 -9.042 1.00 0.00 H new ATOM 225 N ILE A 17 0.617 5.208 -4.079 1.00 0.00 N ATOM 226 CA ILE A 17 -0.541 5.981 -4.493 1.00 0.00 C ATOM 227 C ILE A 17 -0.182 7.468 -4.496 1.00 0.00 C ATOM 228 O ILE A 17 0.679 7.904 -3.734 1.00 0.00 O ATOM 229 CB ILE A 17 -1.751 5.642 -3.619 1.00 0.00 C ATOM 230 CG1 ILE A 17 -3.055 6.050 -4.307 1.00 0.00 C ATOM 231 CG2 ILE A 17 -1.616 6.268 -2.229 1.00 0.00 C ATOM 232 CD1 ILE A 17 -4.218 5.172 -3.842 1.00 0.00 C ATOM 0 H ILE A 17 1.027 5.497 -3.191 1.00 0.00 H new ATOM 0 HA ILE A 17 -0.829 5.721 -5.512 1.00 0.00 H new ATOM 0 HB ILE A 17 -1.783 4.561 -3.483 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.274 7.095 -4.089 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.942 5.967 -5.388 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.489 6.012 -1.628 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.717 5.887 -1.744 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.546 7.352 -2.323 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.133 5.483 -4.346 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.007 4.130 -4.084 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.344 5.276 -2.764 1.00 0.00 H new ATOM 244 N CYS A 18 -0.860 8.205 -5.364 1.00 0.00 N ATOM 245 CA CYS A 18 -0.623 9.634 -5.477 1.00 0.00 C ATOM 246 C CYS A 18 -1.973 10.334 -5.641 1.00 0.00 C ATOM 247 O CYS A 18 -2.975 9.692 -5.953 1.00 0.00 O ATOM 248 CB CYS A 18 0.332 9.960 -6.627 1.00 0.00 C ATOM 249 SG CYS A 18 -0.518 9.728 -8.231 1.00 0.00 S ATOM 0 H CYS A 18 -1.573 7.839 -5.995 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.135 9.996 -4.572 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.684 10.988 -6.538 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.210 9.316 -6.575 1.00 0.00 H new ATOM 0 HG CYS A 18 -1.765 9.427 -8.022 1.00 0.00 H new ATOM 255 N GLY A 19 -1.957 11.641 -5.424 1.00 0.00 N ATOM 256 CA GLY A 19 -3.169 12.434 -5.544 1.00 0.00 C ATOM 257 C GLY A 19 -3.026 13.767 -4.807 1.00 0.00 C ATOM 258 O GLY A 19 -1.920 14.164 -4.443 1.00 0.00 O ATOM 0 H GLY A 19 -1.124 12.171 -5.166 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.385 12.617 -6.596 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.014 11.878 -5.137 1.00 0.00 H new ATOM 262 N PHE A 20 -4.161 14.422 -4.609 1.00 0.00 N ATOM 263 CA PHE A 20 -4.176 15.702 -3.922 1.00 0.00 C ATOM 264 C PHE A 20 -5.171 15.689 -2.760 1.00 0.00 C ATOM 265 O PHE A 20 -6.381 15.621 -2.975 1.00 0.00 O ATOM 266 CB PHE A 20 -4.617 16.753 -4.943 1.00 0.00 C ATOM 267 CG PHE A 20 -3.548 17.096 -5.983 1.00 0.00 C ATOM 268 CD1 PHE A 20 -2.614 18.046 -5.711 1.00 0.00 C ATOM 269 CD2 PHE A 20 -3.532 16.450 -7.180 1.00 0.00 C ATOM 270 CE1 PHE A 20 -1.622 18.364 -6.676 1.00 0.00 C ATOM 271 CE2 PHE A 20 -2.540 16.769 -8.145 1.00 0.00 C ATOM 272 CZ PHE A 20 -1.606 17.719 -7.873 1.00 0.00 C ATOM 0 H PHE A 20 -5.076 14.090 -4.912 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.187 15.918 -3.517 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.508 16.394 -5.458 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.900 17.663 -4.414 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -2.627 18.559 -4.761 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.273 15.695 -7.396 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.880 19.118 -6.459 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -2.527 16.257 -9.096 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.852 17.961 -8.607 1.00 0.00 H new ATOM 282 N LEU A 21 -4.626 15.756 -1.554 1.00 0.00 N ATOM 283 CA LEU A 21 -5.451 15.753 -0.358 1.00 0.00 C ATOM 284 C LEU A 21 -5.386 17.130 0.304 1.00 0.00 C ATOM 285 O LEU A 21 -4.609 17.988 -0.113 1.00 0.00 O ATOM 286 CB LEU A 21 -5.046 14.605 0.569 1.00 0.00 C ATOM 287 CG LEU A 21 -4.992 13.215 -0.069 1.00 0.00 C ATOM 288 CD1 LEU A 21 -4.358 12.199 0.883 1.00 0.00 C ATOM 289 CD2 LEU A 21 -6.379 12.772 -0.539 1.00 0.00 C ATOM 0 H LEU A 21 -3.623 15.813 -1.380 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.495 15.571 -0.615 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.064 14.830 0.986 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.747 14.573 1.403 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.356 13.270 -0.952 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.332 11.220 0.405 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.342 12.512 1.125 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.948 12.141 1.798 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.312 11.781 -0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.058 12.739 0.313 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.756 13.480 -1.277 1.00 0.00 H new ATOM 301 N ASP A 22 -6.213 17.300 1.326 1.00 0.00 N ATOM 302 CA ASP A 22 -6.259 18.558 2.050 1.00 0.00 C ATOM 303 C ASP A 22 -6.151 18.282 3.551 1.00 0.00 C ATOM 304 O ASP A 22 -7.153 18.006 4.209 1.00 0.00 O ATOM 305 CB ASP A 22 -7.579 19.290 1.798 1.00 0.00 C ATOM 306 CG ASP A 22 -8.028 19.329 0.336 1.00 0.00 C ATOM 307 OD1 ASP A 22 -7.758 18.331 -0.367 1.00 0.00 O ATOM 308 OD2 ASP A 22 -8.632 20.355 -0.045 1.00 0.00 O ATOM 0 H ASP A 22 -6.856 16.587 1.669 1.00 0.00 H new ATOM 0 HA ASP A 22 -5.431 19.177 1.704 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.360 18.813 2.390 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.484 20.314 2.161 1.00 0.00 H new ATOM 313 N ILE A 23 -4.926 18.366 4.049 1.00 0.00 N ATOM 314 CA ILE A 23 -4.673 18.128 5.460 1.00 0.00 C ATOM 315 C ILE A 23 -4.890 19.428 6.238 1.00 0.00 C ATOM 316 O ILE A 23 -4.396 20.482 5.842 1.00 0.00 O ATOM 317 CB ILE A 23 -3.286 17.515 5.660 1.00 0.00 C ATOM 318 CG1 ILE A 23 -3.072 17.109 7.120 1.00 0.00 C ATOM 319 CG2 ILE A 23 -2.191 18.461 5.162 1.00 0.00 C ATOM 320 CD1 ILE A 23 -1.747 16.362 7.292 1.00 0.00 C ATOM 0 H ILE A 23 -4.097 18.596 3.500 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.378 17.397 5.856 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.224 16.607 5.060 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.078 17.996 7.753 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.896 16.476 7.450 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.215 18.001 5.316 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.336 18.658 4.100 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.241 19.399 5.715 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.619 16.085 8.338 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.754 15.463 6.676 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.923 17.006 6.984 1.00 0.00 H new ATOM 332 N GLU A 24 -5.628 19.310 7.332 1.00 0.00 N ATOM 333 CA GLU A 24 -5.916 20.462 8.169 1.00 0.00 C ATOM 334 C GLU A 24 -4.628 20.993 8.802 1.00 0.00 C ATOM 335 O GLU A 24 -4.071 20.367 9.702 1.00 0.00 O ATOM 336 CB GLU A 24 -6.952 20.116 9.241 1.00 0.00 C ATOM 337 CG GLU A 24 -7.601 21.381 9.804 1.00 0.00 C ATOM 338 CD GLU A 24 -8.565 21.042 10.943 1.00 0.00 C ATOM 339 OE1 GLU A 24 -8.312 20.018 11.614 1.00 0.00 O ATOM 340 OE2 GLU A 24 -9.532 21.815 11.118 1.00 0.00 O ATOM 0 H GLU A 24 -6.035 18.434 7.658 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.340 21.246 7.541 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.718 19.468 8.816 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.475 19.558 10.047 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.829 22.060 10.166 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.138 21.902 9.011 1.00 0.00 H new ATOM 442 N PHE A 32 -7.259 24.051 5.351 1.00 0.00 N ATOM 443 CA PHE A 32 -6.568 22.833 4.962 1.00 0.00 C ATOM 444 C PHE A 32 -5.462 23.130 3.947 1.00 0.00 C ATOM 445 O PHE A 32 -5.603 24.025 3.115 1.00 0.00 O ATOM 446 CB PHE A 32 -7.607 21.917 4.313 1.00 0.00 C ATOM 447 CG PHE A 32 -8.826 21.637 5.194 1.00 0.00 C ATOM 448 CD1 PHE A 32 -9.905 22.464 5.145 1.00 0.00 C ATOM 449 CD2 PHE A 32 -8.831 20.561 6.026 1.00 0.00 C ATOM 450 CE1 PHE A 32 -11.037 22.204 5.962 1.00 0.00 C ATOM 451 CE2 PHE A 32 -9.963 20.301 6.843 1.00 0.00 C ATOM 452 CZ PHE A 32 -11.042 21.128 6.794 1.00 0.00 C ATOM 0 HA PHE A 32 -6.108 22.371 5.836 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -7.942 22.369 3.379 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.132 20.970 4.056 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.901 23.319 4.485 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -7.974 19.905 6.065 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -11.894 22.860 5.923 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.967 19.446 7.503 1.00 0.00 H new ATOM 0 HZ PHE A 32 -11.903 20.930 7.416 1.00 0.00 H new ATOM 462 N LEU A 33 -4.387 22.363 4.049 1.00 0.00 N ATOM 463 CA LEU A 33 -3.258 22.532 3.150 1.00 0.00 C ATOM 464 C LEU A 33 -3.382 21.542 1.990 1.00 0.00 C ATOM 465 O LEU A 33 -3.209 20.339 2.176 1.00 0.00 O ATOM 466 CB LEU A 33 -1.940 22.418 3.918 1.00 0.00 C ATOM 467 CG LEU A 33 -1.749 23.403 5.073 1.00 0.00 C ATOM 468 CD1 LEU A 33 -0.275 23.783 5.231 1.00 0.00 C ATOM 469 CD2 LEU A 33 -2.643 24.632 4.899 1.00 0.00 C ATOM 0 H LEU A 33 -4.274 21.622 4.741 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.262 23.532 2.717 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.859 21.405 4.313 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.119 22.552 3.213 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.055 22.911 5.996 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.167 24.484 6.059 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.312 22.887 5.435 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.081 24.249 4.312 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.488 25.316 5.733 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.392 25.135 3.965 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.688 24.322 4.874 1.00 0.00 H new ATOM 481 N ARG A 34 -3.681 22.086 0.819 1.00 0.00 N ATOM 482 CA ARG A 34 -3.830 21.266 -0.371 1.00 0.00 C ATOM 483 C ARG A 34 -2.458 20.926 -0.956 1.00 0.00 C ATOM 484 O ARG A 34 -1.817 21.772 -1.577 1.00 0.00 O ATOM 485 CB ARG A 34 -4.666 21.983 -1.432 1.00 0.00 C ATOM 486 CG ARG A 34 -4.856 21.101 -2.668 1.00 0.00 C ATOM 487 CD ARG A 34 -4.435 21.841 -3.940 1.00 0.00 C ATOM 488 NE ARG A 34 -4.723 21.008 -5.129 1.00 0.00 N ATOM 489 CZ ARG A 34 -4.468 21.384 -6.389 1.00 0.00 C ATOM 490 NH1 ARG A 34 -3.918 22.582 -6.632 1.00 0.00 N ATOM 491 NH2 ARG A 34 -4.763 20.563 -7.406 1.00 0.00 N ATOM 0 H ARG A 34 -3.824 23.085 0.669 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.342 20.349 -0.080 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.638 22.247 -1.017 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.177 22.915 -1.717 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.268 20.189 -2.562 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.901 20.800 -2.747 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.968 22.789 -4.012 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.371 22.076 -3.899 1.00 0.00 H new ATOM 0 HE ARG A 34 -5.142 20.090 -4.980 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.694 23.207 -5.858 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.724 22.869 -7.591 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.182 19.652 -7.221 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.569 20.849 -8.365 1.00 0.00 H new ATOM 505 N ARG A 35 -2.048 19.685 -0.737 1.00 0.00 N ATOM 506 CA ARG A 35 -0.763 19.222 -1.235 1.00 0.00 C ATOM 507 C ARG A 35 -0.922 17.872 -1.937 1.00 0.00 C ATOM 508 O ARG A 35 -1.900 17.162 -1.711 1.00 0.00 O ATOM 509 CB ARG A 35 0.250 19.082 -0.097 1.00 0.00 C ATOM 510 CG ARG A 35 0.479 20.423 0.602 1.00 0.00 C ATOM 511 CD ARG A 35 1.168 21.419 -0.334 1.00 0.00 C ATOM 512 NE ARG A 35 1.415 22.694 0.377 1.00 0.00 N ATOM 513 CZ ARG A 35 0.502 23.664 0.517 1.00 0.00 C ATOM 514 NH1 ARG A 35 -0.723 23.512 -0.003 1.00 0.00 N ATOM 515 NH2 ARG A 35 0.815 24.787 1.178 1.00 0.00 N ATOM 0 H ARG A 35 -2.583 18.986 -0.222 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.395 19.963 -1.944 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.108 18.348 0.625 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.195 18.707 -0.491 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.475 20.831 0.935 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.089 20.273 1.493 1.00 0.00 H new ATOM 0 HD2 ARG A 35 2.110 21.003 -0.691 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.546 21.597 -1.211 1.00 0.00 H new ATOM 0 HE ARG A 35 2.338 22.843 0.786 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.961 22.657 -0.506 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.418 24.251 0.104 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.748 24.903 1.574 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.120 25.526 1.285 1.00 0.00 H new ATOM 529 N TYR A 36 0.056 17.559 -2.775 1.00 0.00 N ATOM 530 CA TYR A 36 0.037 16.307 -3.512 1.00 0.00 C ATOM 531 C TYR A 36 0.690 15.185 -2.702 1.00 0.00 C ATOM 532 O TYR A 36 1.913 15.061 -2.680 1.00 0.00 O ATOM 533 CB TYR A 36 0.861 16.551 -4.778 1.00 0.00 C ATOM 534 CG TYR A 36 0.723 15.450 -5.831 1.00 0.00 C ATOM 535 CD1 TYR A 36 -0.503 15.201 -6.414 1.00 0.00 C ATOM 536 CD2 TYR A 36 1.825 14.704 -6.198 1.00 0.00 C ATOM 537 CE1 TYR A 36 -0.632 14.165 -7.406 1.00 0.00 C ATOM 538 CE2 TYR A 36 1.696 13.667 -7.189 1.00 0.00 C ATOM 539 CZ TYR A 36 0.474 13.449 -7.744 1.00 0.00 C ATOM 540 OH TYR A 36 0.352 12.470 -8.680 1.00 0.00 O ATOM 0 H TYR A 36 0.866 18.151 -2.960 1.00 0.00 H new ATOM 0 HA TYR A 36 -0.987 16.006 -3.731 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.559 17.501 -5.219 1.00 0.00 H new ATOM 0 HB3 TYR A 36 1.911 16.647 -4.503 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.366 15.783 -6.126 1.00 0.00 H new ATOM 0 HD2 TYR A 36 2.784 14.898 -5.742 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.585 13.961 -7.871 1.00 0.00 H new ATOM 0 HE2 TYR A 36 2.550 13.076 -7.485 1.00 0.00 H new ATOM 0 HH TYR A 36 -0.255 11.775 -8.349 1.00 0.00 H new ATOM 550 N PHE A 37 -0.156 14.395 -2.057 1.00 0.00 N ATOM 551 CA PHE A 37 0.323 13.287 -1.248 1.00 0.00 C ATOM 552 C PHE A 37 0.751 12.111 -2.128 1.00 0.00 C ATOM 553 O PHE A 37 0.105 11.814 -3.131 1.00 0.00 O ATOM 554 CB PHE A 37 -0.842 12.846 -0.359 1.00 0.00 C ATOM 555 CG PHE A 37 -1.070 13.743 0.858 1.00 0.00 C ATOM 556 CD1 PHE A 37 -1.223 15.085 0.695 1.00 0.00 C ATOM 557 CD2 PHE A 37 -1.120 13.200 2.104 1.00 0.00 C ATOM 558 CE1 PHE A 37 -1.435 15.918 1.825 1.00 0.00 C ATOM 559 CE2 PHE A 37 -1.332 14.033 3.234 1.00 0.00 C ATOM 560 CZ PHE A 37 -1.485 15.374 3.071 1.00 0.00 C ATOM 0 H PHE A 37 -1.170 14.500 -2.078 1.00 0.00 H new ATOM 0 HA PHE A 37 1.187 13.600 -0.661 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.753 12.823 -0.957 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.659 11.827 -0.017 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.183 15.517 -0.294 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.998 12.135 2.234 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.557 16.983 1.695 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.372 13.601 4.223 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.646 16.008 3.931 1.00 0.00 H new ATOM 570 N ILE A 38 1.839 11.474 -1.720 1.00 0.00 N ATOM 571 CA ILE A 38 2.361 10.337 -2.458 1.00 0.00 C ATOM 572 C ILE A 38 2.769 9.238 -1.474 1.00 0.00 C ATOM 573 O ILE A 38 3.751 9.383 -0.748 1.00 0.00 O ATOM 574 CB ILE A 38 3.492 10.777 -3.390 1.00 0.00 C ATOM 575 CG1 ILE A 38 2.939 11.258 -4.734 1.00 0.00 C ATOM 576 CG2 ILE A 38 4.527 9.663 -3.562 1.00 0.00 C ATOM 577 CD1 ILE A 38 3.986 12.071 -5.498 1.00 0.00 C ATOM 0 H ILE A 38 2.373 11.724 -0.888 1.00 0.00 H new ATOM 0 HA ILE A 38 1.590 9.917 -3.104 1.00 0.00 H new ATOM 0 HB ILE A 38 4.003 11.623 -2.930 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.631 10.401 -5.333 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.050 11.867 -4.569 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.319 10.002 -4.229 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.953 9.410 -2.591 1.00 0.00 H new ATOM 0 HG23 ILE A 38 4.046 8.782 -3.988 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.568 12.401 -6.449 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.274 12.941 -4.907 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.864 11.452 -5.683 1.00 0.00 H new ATOM 589 N LEU A 39 1.993 8.164 -1.482 1.00 0.00 N ATOM 590 CA LEU A 39 2.260 7.042 -0.599 1.00 0.00 C ATOM 591 C LEU A 39 3.464 6.258 -1.127 1.00 0.00 C ATOM 592 O LEU A 39 3.328 5.450 -2.044 1.00 0.00 O ATOM 593 CB LEU A 39 1.003 6.190 -0.419 1.00 0.00 C ATOM 594 CG LEU A 39 0.931 5.361 0.866 1.00 0.00 C ATOM 595 CD1 LEU A 39 0.819 6.265 2.095 1.00 0.00 C ATOM 596 CD2 LEU A 39 -0.208 4.342 0.798 1.00 0.00 C ATOM 0 H LEU A 39 1.179 8.047 -2.086 1.00 0.00 H new ATOM 0 HA LEU A 39 2.522 7.396 0.398 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.135 6.848 -0.452 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.923 5.513 -1.269 1.00 0.00 H new ATOM 0 HG LEU A 39 1.860 4.799 0.963 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.769 5.652 2.995 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.691 6.917 2.148 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.083 6.872 2.019 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.237 3.766 1.723 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.156 4.864 0.666 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.044 3.669 -0.043 1.00 0.00 H new ATOM 608 N ASP A 40 4.614 6.525 -0.526 1.00 0.00 N ATOM 609 CA ASP A 40 5.840 5.855 -0.924 1.00 0.00 C ATOM 610 C ASP A 40 6.096 4.670 0.010 1.00 0.00 C ATOM 611 O ASP A 40 6.364 4.857 1.196 1.00 0.00 O ATOM 612 CB ASP A 40 7.039 6.799 -0.829 1.00 0.00 C ATOM 613 CG ASP A 40 7.018 7.754 0.366 1.00 0.00 C ATOM 614 OD1 ASP A 40 6.312 8.781 0.259 1.00 0.00 O ATOM 615 OD2 ASP A 40 7.707 7.437 1.359 1.00 0.00 O ATOM 0 H ASP A 40 4.723 7.197 0.234 1.00 0.00 H new ATOM 0 HA ASP A 40 5.723 5.523 -1.956 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.950 6.202 -0.781 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.092 7.388 -1.745 1.00 0.00 H new ATOM 620 N THR A 41 6.003 3.478 -0.560 1.00 0.00 N ATOM 621 CA THR A 41 6.221 2.263 0.207 1.00 0.00 C ATOM 622 C THR A 41 7.717 2.039 0.437 1.00 0.00 C ATOM 623 O THR A 41 8.123 1.574 1.501 1.00 0.00 O ATOM 624 CB THR A 41 5.540 1.109 -0.531 1.00 0.00 C ATOM 625 OG1 THR A 41 6.459 0.768 -1.565 1.00 0.00 O ATOM 626 CG2 THR A 41 4.283 1.555 -1.281 1.00 0.00 C ATOM 0 H THR A 41 5.780 3.327 -1.544 1.00 0.00 H new ATOM 0 HA THR A 41 5.779 2.338 1.201 1.00 0.00 H new ATOM 0 HB THR A 41 5.279 0.326 0.181 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.097 0.026 -2.093 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.838 0.698 -1.787 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.566 1.971 -0.574 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.548 2.314 -2.017 1.00 0.00 H new ATOM 634 N GLN A 42 8.497 2.380 -0.579 1.00 0.00 N ATOM 635 CA GLN A 42 9.939 2.221 -0.501 1.00 0.00 C ATOM 636 C GLN A 42 10.504 3.058 0.649 1.00 0.00 C ATOM 637 O GLN A 42 11.355 2.589 1.403 1.00 0.00 O ATOM 638 CB GLN A 42 10.604 2.594 -1.827 1.00 0.00 C ATOM 639 CG GLN A 42 10.063 1.734 -2.972 1.00 0.00 C ATOM 640 CD GLN A 42 11.145 1.478 -4.023 1.00 0.00 C ATOM 641 OE1 GLN A 42 11.955 2.333 -4.339 1.00 0.00 O ATOM 642 NE2 GLN A 42 11.112 0.255 -4.546 1.00 0.00 N ATOM 0 H GLN A 42 8.157 2.766 -1.460 1.00 0.00 H new ATOM 0 HA GLN A 42 10.159 1.172 -0.304 1.00 0.00 H new ATOM 0 HB2 GLN A 42 10.427 3.647 -2.043 1.00 0.00 H new ATOM 0 HB3 GLN A 42 11.683 2.462 -1.747 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.701 0.784 -2.579 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.212 2.232 -3.435 1.00 0.00 H new ATOM 0 HE21 GLN A 42 10.406 -0.413 -4.236 1.00 0.00 H new ATOM 0 HE22 GLN A 42 11.792 -0.014 -5.257 1.00 0.00 H new ATOM 651 N ALA A 43 10.007 4.282 0.747 1.00 0.00 N ATOM 652 CA ALA A 43 10.452 5.189 1.792 1.00 0.00 C ATOM 653 C ALA A 43 9.733 4.845 3.099 1.00 0.00 C ATOM 654 O ALA A 43 10.203 5.195 4.180 1.00 0.00 O ATOM 655 CB ALA A 43 10.205 6.634 1.354 1.00 0.00 C ATOM 0 H ALA A 43 9.301 4.667 0.120 1.00 0.00 H new ATOM 0 HA ALA A 43 11.523 5.080 1.965 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.539 7.314 2.138 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.760 6.836 0.438 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.140 6.783 1.174 1.00 0.00 H new ATOM 661 N ASN A 44 8.606 4.164 2.955 1.00 0.00 N ATOM 662 CA ASN A 44 7.818 3.769 4.110 1.00 0.00 C ATOM 663 C ASN A 44 7.386 5.019 4.879 1.00 0.00 C ATOM 664 O ASN A 44 7.336 5.011 6.108 1.00 0.00 O ATOM 665 CB ASN A 44 8.634 2.889 5.059 1.00 0.00 C ATOM 666 CG ASN A 44 7.757 2.333 6.183 1.00 0.00 C ATOM 667 OD1 ASN A 44 7.963 2.908 7.365 1.00 0.00 O flip ATOM 668 ND2 ASN A 44 6.946 1.442 5.989 1.00 0.00 N flip ATOM 0 H ASN A 44 8.220 3.876 2.056 1.00 0.00 H new ATOM 0 HA ASN A 44 6.954 3.209 3.753 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.082 2.066 4.502 1.00 0.00 H new ATOM 0 HB3 ASN A 44 9.453 3.469 5.485 1.00 0.00 H new ATOM 0 HD21 ASN A 44 6.838 1.045 5.056 1.00 0.00 H new ATOM 0 HD22 ASN A 44 6.376 1.095 6.760 1.00 0.00 H new ATOM 675 N CYS A 45 7.084 6.065 4.123 1.00 0.00 N ATOM 676 CA CYS A 45 6.657 7.320 4.718 1.00 0.00 C ATOM 677 C CYS A 45 5.726 8.027 3.732 1.00 0.00 C ATOM 678 O CYS A 45 5.645 7.645 2.565 1.00 0.00 O ATOM 679 CB CYS A 45 7.850 8.197 5.105 1.00 0.00 C ATOM 680 SG CYS A 45 9.063 7.216 6.062 1.00 0.00 S ATOM 0 H CYS A 45 7.127 6.069 3.104 1.00 0.00 H new ATOM 0 HA CYS A 45 6.119 7.121 5.645 1.00 0.00 H new ATOM 0 HB2 CYS A 45 8.322 8.600 4.209 1.00 0.00 H new ATOM 0 HB3 CYS A 45 7.510 9.047 5.696 1.00 0.00 H new ATOM 0 HG CYS A 45 8.458 6.218 6.636 1.00 0.00 H new ATOM 686 N LEU A 46 5.045 9.046 4.236 1.00 0.00 N ATOM 687 CA LEU A 46 4.123 9.810 3.414 1.00 0.00 C ATOM 688 C LEU A 46 4.710 11.198 3.151 1.00 0.00 C ATOM 689 O LEU A 46 5.099 11.899 4.084 1.00 0.00 O ATOM 690 CB LEU A 46 2.734 9.842 4.055 1.00 0.00 C ATOM 691 CG LEU A 46 1.602 10.377 3.176 1.00 0.00 C ATOM 692 CD1 LEU A 46 1.949 11.757 2.614 1.00 0.00 C ATOM 693 CD2 LEU A 46 1.247 9.381 2.070 1.00 0.00 C ATOM 0 H LEU A 46 5.114 9.360 5.204 1.00 0.00 H new ATOM 0 HA LEU A 46 3.991 9.330 2.444 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.477 8.830 4.368 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.786 10.452 4.957 1.00 0.00 H new ATOM 0 HG LEU A 46 0.715 10.496 3.798 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.127 12.114 1.993 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.112 12.454 3.436 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.855 11.687 2.012 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.440 9.787 1.460 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.122 9.206 1.444 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.926 8.440 2.517 1.00 0.00 H new ATOM 705 N LEU A 47 4.756 11.555 1.875 1.00 0.00 N ATOM 706 CA LEU A 47 5.289 12.846 1.478 1.00 0.00 C ATOM 707 C LEU A 47 4.269 13.564 0.592 1.00 0.00 C ATOM 708 O LEU A 47 3.811 13.010 -0.407 1.00 0.00 O ATOM 709 CB LEU A 47 6.662 12.681 0.824 1.00 0.00 C ATOM 710 CG LEU A 47 7.609 11.683 1.495 1.00 0.00 C ATOM 711 CD1 LEU A 47 8.435 10.926 0.454 1.00 0.00 C ATOM 712 CD2 LEU A 47 8.492 12.378 2.533 1.00 0.00 C ATOM 0 H LEU A 47 4.432 10.972 1.103 1.00 0.00 H new ATOM 0 HA LEU A 47 5.451 13.476 2.353 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.515 12.372 -0.211 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.150 13.655 0.800 1.00 0.00 H new ATOM 0 HG LEU A 47 7.007 10.946 2.026 1.00 0.00 H new ATOM 0 HD11 LEU A 47 9.099 10.224 0.957 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.768 10.380 -0.213 1.00 0.00 H new ATOM 0 HD13 LEU A 47 9.027 11.634 -0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 47 9.155 11.647 2.995 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.087 13.151 2.046 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.864 12.833 3.299 1.00 0.00 H new ATOM 724 N TRP A 48 3.942 14.785 0.989 1.00 0.00 N ATOM 725 CA TRP A 48 2.984 15.583 0.244 1.00 0.00 C ATOM 726 C TRP A 48 3.697 16.849 -0.238 1.00 0.00 C ATOM 727 O TRP A 48 4.210 17.622 0.570 1.00 0.00 O ATOM 728 CB TRP A 48 1.743 15.881 1.088 1.00 0.00 C ATOM 729 CG TRP A 48 2.039 16.639 2.383 1.00 0.00 C ATOM 730 CD1 TRP A 48 2.340 17.937 2.529 1.00 0.00 C ATOM 731 CD2 TRP A 48 2.048 16.091 3.718 1.00 0.00 C ATOM 732 NE1 TRP A 48 2.543 18.263 3.854 1.00 0.00 N ATOM 733 CE2 TRP A 48 2.360 17.105 4.600 1.00 0.00 C ATOM 734 CE3 TRP A 48 1.802 14.780 4.165 1.00 0.00 C ATOM 735 CZ2 TRP A 48 2.454 16.915 5.984 1.00 0.00 C ATOM 736 CZ3 TRP A 48 1.900 14.607 5.551 1.00 0.00 C ATOM 737 CH2 TRP A 48 2.212 15.618 6.452 1.00 0.00 C ATOM 0 H TRP A 48 4.324 15.241 1.818 1.00 0.00 H new ATOM 0 HA TRP A 48 2.620 15.035 -0.625 1.00 0.00 H new ATOM 0 HB2 TRP A 48 1.041 16.463 0.491 1.00 0.00 H new ATOM 0 HB3 TRP A 48 1.249 14.941 1.334 1.00 0.00 H new ATOM 0 HD1 TRP A 48 2.414 18.639 1.712 1.00 0.00 H new ATOM 0 HE1 TRP A 48 2.783 19.185 4.219 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.557 13.971 3.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 2.700 17.725 6.654 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.721 13.619 5.948 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.268 15.404 7.509 1.00 0.00 H new ATOM 748 N TYR A 49 3.707 17.021 -1.551 1.00 0.00 N ATOM 749 CA TYR A 49 4.348 18.179 -2.150 1.00 0.00 C ATOM 750 C TYR A 49 3.312 19.124 -2.763 1.00 0.00 C ATOM 751 O TYR A 49 2.242 18.687 -3.185 1.00 0.00 O ATOM 752 CB TYR A 49 5.247 17.636 -3.262 1.00 0.00 C ATOM 753 CG TYR A 49 6.063 16.406 -2.858 1.00 0.00 C ATOM 754 CD1 TYR A 49 5.474 15.158 -2.853 1.00 0.00 C ATOM 755 CD2 TYR A 49 7.388 16.545 -2.498 1.00 0.00 C ATOM 756 CE1 TYR A 49 6.242 14.001 -2.473 1.00 0.00 C ATOM 757 CE2 TYR A 49 8.156 15.388 -2.117 1.00 0.00 C ATOM 758 CZ TYR A 49 7.545 14.173 -2.124 1.00 0.00 C ATOM 759 OH TYR A 49 8.270 13.080 -1.765 1.00 0.00 O ATOM 0 H TYR A 49 3.281 16.377 -2.218 1.00 0.00 H new ATOM 0 HA TYR A 49 4.905 18.740 -1.399 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.629 17.382 -4.123 1.00 0.00 H new ATOM 0 HB3 TYR A 49 5.930 18.424 -3.580 1.00 0.00 H new ATOM 0 HD1 TYR A 49 4.437 15.049 -3.134 1.00 0.00 H new ATOM 0 HD2 TYR A 49 7.849 17.522 -2.502 1.00 0.00 H new ATOM 0 HE1 TYR A 49 5.793 13.019 -2.465 1.00 0.00 H new ATOM 0 HE2 TYR A 49 9.193 15.483 -1.832 1.00 0.00 H new ATOM 0 HH TYR A 49 9.185 13.353 -1.542 1.00 0.00 H new ATOM 769 N MET A 50 3.667 20.400 -2.793 1.00 0.00 N ATOM 770 CA MET A 50 2.781 21.410 -3.347 1.00 0.00 C ATOM 771 C MET A 50 2.179 20.942 -4.674 1.00 0.00 C ATOM 772 O MET A 50 0.992 21.141 -4.925 1.00 0.00 O ATOM 773 CB MET A 50 3.562 22.707 -3.570 1.00 0.00 C ATOM 774 CG MET A 50 4.099 23.257 -2.247 1.00 0.00 C ATOM 775 SD MET A 50 4.155 25.040 -2.306 1.00 0.00 S ATOM 776 CE MET A 50 2.873 25.430 -1.126 1.00 0.00 C ATOM 0 H MET A 50 4.556 20.758 -2.443 1.00 0.00 H new ATOM 0 HA MET A 50 1.969 21.581 -2.641 1.00 0.00 H new ATOM 0 HB2 MET A 50 4.390 22.524 -4.255 1.00 0.00 H new ATOM 0 HB3 MET A 50 2.916 23.448 -4.041 1.00 0.00 H new ATOM 0 HG2 MET A 50 3.463 22.932 -1.424 1.00 0.00 H new ATOM 0 HG3 MET A 50 5.096 22.860 -2.056 1.00 0.00 H new ATOM 0 HE1 MET A 50 2.858 26.505 -0.947 1.00 0.00 H new ATOM 0 HE2 MET A 50 1.907 25.115 -1.521 1.00 0.00 H new ATOM 0 HE3 MET A 50 3.070 24.909 -0.189 1.00 0.00 H new ATOM 786 N ASP A 51 3.026 20.329 -5.488 1.00 0.00 N ATOM 787 CA ASP A 51 2.592 19.832 -6.782 1.00 0.00 C ATOM 788 C ASP A 51 3.466 18.642 -7.185 1.00 0.00 C ATOM 789 O ASP A 51 4.465 18.351 -6.530 1.00 0.00 O ATOM 790 CB ASP A 51 2.732 20.908 -7.861 1.00 0.00 C ATOM 791 CG ASP A 51 1.424 21.588 -8.269 1.00 0.00 C ATOM 792 OD1 ASP A 51 0.364 21.082 -7.841 1.00 0.00 O ATOM 793 OD2 ASP A 51 1.513 22.598 -8.999 1.00 0.00 O ATOM 0 H ASP A 51 4.010 20.165 -5.276 1.00 0.00 H new ATOM 0 HA ASP A 51 1.545 19.540 -6.698 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.425 21.670 -7.505 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.181 20.458 -8.746 1.00 0.00 H new ATOM 936 N VAL A 63 6.548 19.840 1.814 1.00 0.00 N ATOM 937 CA VAL A 63 6.188 20.776 2.866 1.00 0.00 C ATOM 938 C VAL A 63 6.069 20.024 4.193 1.00 0.00 C ATOM 939 O VAL A 63 6.156 20.626 5.262 1.00 0.00 O ATOM 940 CB VAL A 63 4.907 21.523 2.485 1.00 0.00 C ATOM 941 CG1 VAL A 63 5.125 22.385 1.240 1.00 0.00 C ATOM 942 CG2 VAL A 63 3.745 20.550 2.282 1.00 0.00 C ATOM 0 HA VAL A 63 6.965 21.531 2.989 1.00 0.00 H new ATOM 0 HB VAL A 63 4.648 22.186 3.310 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.200 22.905 0.991 1.00 0.00 H new ATOM 0 HG12 VAL A 63 5.910 23.115 1.436 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.421 21.750 0.405 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.847 21.106 2.012 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.992 19.850 1.484 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.566 19.999 3.205 1.00 0.00 H new ATOM 952 N GLY A 64 5.872 18.718 4.081 1.00 0.00 N ATOM 953 CA GLY A 64 5.741 17.878 5.258 1.00 0.00 C ATOM 954 C GLY A 64 5.756 16.395 4.879 1.00 0.00 C ATOM 955 O GLY A 64 5.577 16.048 3.713 1.00 0.00 O ATOM 0 H GLY A 64 5.800 18.222 3.193 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.556 18.088 5.951 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.812 18.115 5.777 1.00 0.00 H new ATOM 959 N SER A 65 5.972 15.562 5.886 1.00 0.00 N ATOM 960 CA SER A 65 6.014 14.125 5.672 1.00 0.00 C ATOM 961 C SER A 65 5.307 13.405 6.822 1.00 0.00 C ATOM 962 O SER A 65 4.984 14.018 7.838 1.00 0.00 O ATOM 963 CB SER A 65 7.455 13.629 5.540 1.00 0.00 C ATOM 964 OG SER A 65 8.197 13.818 6.742 1.00 0.00 O ATOM 0 H SER A 65 6.120 15.854 6.852 1.00 0.00 H new ATOM 0 HA SER A 65 5.496 13.902 4.739 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.452 12.571 5.279 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.947 14.157 4.723 1.00 0.00 H new ATOM 0 HG SER A 65 9.111 13.487 6.618 1.00 0.00 H new ATOM 970 N LEU A 66 5.089 12.113 6.623 1.00 0.00 N ATOM 971 CA LEU A 66 4.427 11.302 7.631 1.00 0.00 C ATOM 972 C LEU A 66 5.003 9.886 7.600 1.00 0.00 C ATOM 973 O LEU A 66 4.690 9.104 6.703 1.00 0.00 O ATOM 974 CB LEU A 66 2.909 11.352 7.447 1.00 0.00 C ATOM 975 CG LEU A 66 2.114 11.981 8.593 1.00 0.00 C ATOM 976 CD1 LEU A 66 0.615 11.976 8.289 1.00 0.00 C ATOM 977 CD2 LEU A 66 2.431 11.291 9.922 1.00 0.00 C ATOM 0 H LEU A 66 5.359 11.608 5.779 1.00 0.00 H new ATOM 0 HA LEU A 66 4.618 11.702 8.627 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.692 11.906 6.534 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.548 10.335 7.296 1.00 0.00 H new ATOM 0 HG LEU A 66 2.419 13.023 8.689 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.074 12.429 9.120 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.426 12.546 7.379 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.275 10.950 8.151 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.853 11.757 10.721 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.171 10.235 9.855 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.495 11.390 10.139 1.00 0.00 H new ATOM 989 N GLN A 67 5.837 9.598 8.589 1.00 0.00 N ATOM 990 CA GLN A 67 6.460 8.289 8.686 1.00 0.00 C ATOM 991 C GLN A 67 5.401 7.214 8.939 1.00 0.00 C ATOM 992 O GLN A 67 4.599 7.333 9.863 1.00 0.00 O ATOM 993 CB GLN A 67 7.531 8.271 9.778 1.00 0.00 C ATOM 994 CG GLN A 67 8.528 9.416 9.587 1.00 0.00 C ATOM 995 CD GLN A 67 9.769 8.942 8.829 1.00 0.00 C ATOM 996 OE1 GLN A 67 10.253 7.836 9.009 1.00 0.00 O ATOM 997 NE2 GLN A 67 10.256 9.837 7.974 1.00 0.00 N ATOM 0 H GLN A 67 6.096 10.249 9.330 1.00 0.00 H new ATOM 0 HA GLN A 67 6.951 8.071 7.738 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.059 8.355 10.757 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.059 7.317 9.759 1.00 0.00 H new ATOM 0 HG2 GLN A 67 8.052 10.230 9.040 1.00 0.00 H new ATOM 0 HG3 GLN A 67 8.821 9.814 10.559 1.00 0.00 H new ATOM 0 HE21 GLN A 67 9.802 10.745 7.872 1.00 0.00 H new ATOM 0 HE22 GLN A 67 11.083 9.616 7.420 1.00 0.00 H new ATOM 1006 N LEU A 68 5.432 6.189 8.100 1.00 0.00 N ATOM 1007 CA LEU A 68 4.485 5.093 8.221 1.00 0.00 C ATOM 1008 C LEU A 68 4.703 4.382 9.558 1.00 0.00 C ATOM 1009 O LEU A 68 3.802 3.716 10.065 1.00 0.00 O ATOM 1010 CB LEU A 68 4.581 4.166 7.008 1.00 0.00 C ATOM 1011 CG LEU A 68 4.214 4.786 5.659 1.00 0.00 C ATOM 1012 CD1 LEU A 68 4.037 3.707 4.589 1.00 0.00 C ATOM 1013 CD2 LEU A 68 2.977 5.678 5.783 1.00 0.00 C ATOM 0 H LEU A 68 6.098 6.094 7.333 1.00 0.00 H new ATOM 0 HA LEU A 68 3.463 5.471 8.224 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.601 3.787 6.946 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.932 3.308 7.180 1.00 0.00 H new ATOM 0 HG LEU A 68 5.039 5.423 5.341 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.776 4.175 3.640 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.967 3.151 4.476 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.241 3.025 4.888 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.738 6.106 4.809 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.134 5.084 6.135 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.177 6.480 6.493 1.00 0.00 H new ATOM 1025 N THR A 69 5.905 4.547 10.091 1.00 0.00 N ATOM 1026 CA THR A 69 6.252 3.929 11.359 1.00 0.00 C ATOM 1027 C THR A 69 5.265 4.354 12.448 1.00 0.00 C ATOM 1028 O THR A 69 5.120 3.671 13.460 1.00 0.00 O ATOM 1029 CB THR A 69 7.704 4.292 11.680 1.00 0.00 C ATOM 1030 OG1 THR A 69 7.881 3.856 13.025 1.00 0.00 O ATOM 1031 CG2 THR A 69 7.929 5.804 11.745 1.00 0.00 C ATOM 0 H THR A 69 6.650 5.100 9.668 1.00 0.00 H new ATOM 0 HA THR A 69 6.177 2.843 11.303 1.00 0.00 H new ATOM 0 HB THR A 69 8.362 3.860 10.926 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.797 4.051 13.314 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.975 6.007 11.976 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.676 6.251 10.784 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.296 6.233 12.522 1.00 0.00 H new ATOM 1039 N TYR A 70 4.612 5.481 12.203 1.00 0.00 N ATOM 1040 CA TYR A 70 3.643 6.005 13.150 1.00 0.00 C ATOM 1041 C TYR A 70 2.245 5.453 12.866 1.00 0.00 C ATOM 1042 O TYR A 70 1.642 4.808 13.723 1.00 0.00 O ATOM 1043 CB TYR A 70 3.630 7.521 12.945 1.00 0.00 C ATOM 1044 CG TYR A 70 4.974 8.198 13.225 1.00 0.00 C ATOM 1045 CD1 TYR A 70 5.693 7.863 14.354 1.00 0.00 C ATOM 1046 CD2 TYR A 70 5.466 9.144 12.349 1.00 0.00 C ATOM 1047 CE1 TYR A 70 6.957 8.500 14.618 1.00 0.00 C ATOM 1048 CE2 TYR A 70 6.730 9.781 12.612 1.00 0.00 C ATOM 1049 CZ TYR A 70 7.413 9.427 13.734 1.00 0.00 C ATOM 1050 OH TYR A 70 8.608 10.029 13.983 1.00 0.00 O ATOM 0 H TYR A 70 4.735 6.045 11.362 1.00 0.00 H new ATOM 0 HA TYR A 70 3.911 5.723 14.168 1.00 0.00 H new ATOM 0 HB2 TYR A 70 3.333 7.736 11.918 1.00 0.00 H new ATOM 0 HB3 TYR A 70 2.872 7.959 13.594 1.00 0.00 H new ATOM 0 HD1 TYR A 70 5.308 7.123 15.040 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.903 9.407 11.466 1.00 0.00 H new ATOM 0 HE1 TYR A 70 7.530 8.247 15.498 1.00 0.00 H new ATOM 0 HE2 TYR A 70 7.127 10.523 11.934 1.00 0.00 H new ATOM 0 HH TYR A 70 8.808 10.668 13.267 1.00 0.00 H new ATOM 1060 N ILE A 71 1.769 5.725 11.659 1.00 0.00 N ATOM 1061 CA ILE A 71 0.453 5.263 11.252 1.00 0.00 C ATOM 1062 C ILE A 71 0.242 3.832 11.750 1.00 0.00 C ATOM 1063 O ILE A 71 1.165 3.019 11.722 1.00 0.00 O ATOM 1064 CB ILE A 71 0.275 5.420 9.740 1.00 0.00 C ATOM 1065 CG1 ILE A 71 0.335 6.893 9.331 1.00 0.00 C ATOM 1066 CG2 ILE A 71 -1.014 4.745 9.267 1.00 0.00 C ATOM 1067 CD1 ILE A 71 1.625 7.199 8.568 1.00 0.00 C ATOM 0 H ILE A 71 2.271 6.259 10.950 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.324 5.877 11.708 1.00 0.00 H new ATOM 0 HB ILE A 71 1.104 4.915 9.244 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.526 7.136 8.709 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.275 7.523 10.218 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.116 4.871 8.189 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.977 3.682 9.506 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.868 5.200 9.768 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.642 8.253 8.289 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.484 6.978 9.202 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.670 6.585 7.668 1.00 0.00 H new ATOM 1079 N SER A 72 -0.977 3.569 12.196 1.00 0.00 N ATOM 1080 CA SER A 72 -1.321 2.250 12.700 1.00 0.00 C ATOM 1081 C SER A 72 -2.565 1.723 11.982 1.00 0.00 C ATOM 1082 O SER A 72 -2.613 0.557 11.592 1.00 0.00 O ATOM 1083 CB SER A 72 -1.555 2.282 14.212 1.00 0.00 C ATOM 1084 OG SER A 72 -0.434 1.783 14.936 1.00 0.00 O ATOM 0 H SER A 72 -1.739 4.247 12.219 1.00 0.00 H new ATOM 0 HA SER A 72 -0.484 1.580 12.503 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.763 3.305 14.525 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.437 1.689 14.455 1.00 0.00 H new ATOM 0 HG SER A 72 -0.622 1.822 15.897 1.00 0.00 H new ATOM 1090 N LYS A 73 -3.540 2.607 11.828 1.00 0.00 N ATOM 1091 CA LYS A 73 -4.780 2.245 11.163 1.00 0.00 C ATOM 1092 C LYS A 73 -5.313 3.455 10.394 1.00 0.00 C ATOM 1093 O LYS A 73 -5.136 4.594 10.822 1.00 0.00 O ATOM 1094 CB LYS A 73 -5.778 1.667 12.169 1.00 0.00 C ATOM 1095 CG LYS A 73 -7.207 1.743 11.628 1.00 0.00 C ATOM 1096 CD LYS A 73 -8.056 0.585 12.157 1.00 0.00 C ATOM 1097 CE LYS A 73 -8.681 0.936 13.509 1.00 0.00 C ATOM 1098 NZ LYS A 73 -8.273 -0.046 14.539 1.00 0.00 N ATOM 0 H LYS A 73 -3.496 3.573 12.152 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.605 1.455 10.433 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -5.522 0.630 12.386 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.711 2.215 13.109 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.659 2.692 11.917 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.189 1.717 10.538 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.842 0.348 11.440 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -7.438 -0.307 12.259 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -8.372 1.937 13.810 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.767 0.950 13.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -8.706 0.207 15.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.589 -0.996 14.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -7.237 -0.040 14.634 1.00 0.00 H new ATOM 1112 N VAL A 74 -5.955 3.166 9.271 1.00 0.00 N ATOM 1113 CA VAL A 74 -6.515 4.216 8.438 1.00 0.00 C ATOM 1114 C VAL A 74 -7.994 3.922 8.179 1.00 0.00 C ATOM 1115 O VAL A 74 -8.328 3.128 7.300 1.00 0.00 O ATOM 1116 CB VAL A 74 -5.698 4.354 7.151 1.00 0.00 C ATOM 1117 CG1 VAL A 74 -6.195 5.533 6.311 1.00 0.00 C ATOM 1118 CG2 VAL A 74 -4.206 4.491 7.461 1.00 0.00 C ATOM 0 H VAL A 74 -6.100 2.220 8.919 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.460 5.178 8.947 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.836 3.444 6.566 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.598 5.609 5.402 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.241 5.376 6.046 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.101 6.454 6.886 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.648 4.587 6.530 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.042 5.376 8.076 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.864 3.607 7.999 1.00 0.00 H new ATOM 1128 N SER A 75 -8.840 4.577 8.960 1.00 0.00 N ATOM 1129 CA SER A 75 -10.276 4.395 8.826 1.00 0.00 C ATOM 1130 C SER A 75 -10.934 5.715 8.419 1.00 0.00 C ATOM 1131 O SER A 75 -10.308 6.772 8.484 1.00 0.00 O ATOM 1132 CB SER A 75 -10.889 3.875 10.127 1.00 0.00 C ATOM 1133 OG SER A 75 -12.297 3.689 10.017 1.00 0.00 O ATOM 0 H SER A 75 -8.559 5.234 9.688 1.00 0.00 H new ATOM 0 HA SER A 75 -10.456 3.652 8.049 1.00 0.00 H new ATOM 0 HB2 SER A 75 -10.418 2.930 10.397 1.00 0.00 H new ATOM 0 HB3 SER A 75 -10.678 4.578 10.933 1.00 0.00 H new ATOM 0 HG SER A 75 -12.650 3.355 10.868 1.00 0.00 H new ATOM 1139 N ILE A 76 -12.190 5.612 8.009 1.00 0.00 N ATOM 1140 CA ILE A 76 -12.940 6.784 7.592 1.00 0.00 C ATOM 1141 C ILE A 76 -13.380 7.569 8.830 1.00 0.00 C ATOM 1142 O ILE A 76 -13.946 6.999 9.762 1.00 0.00 O ATOM 1143 CB ILE A 76 -14.097 6.381 6.676 1.00 0.00 C ATOM 1144 CG1 ILE A 76 -13.609 5.479 5.541 1.00 0.00 C ATOM 1145 CG2 ILE A 76 -14.835 7.615 6.151 1.00 0.00 C ATOM 1146 CD1 ILE A 76 -12.385 6.081 4.849 1.00 0.00 C ATOM 0 H ILE A 76 -12.707 4.734 7.957 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.311 7.448 6.999 1.00 0.00 H new ATOM 0 HB ILE A 76 -14.812 5.803 7.262 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -13.360 4.494 5.936 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -14.409 5.338 4.814 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -15.653 7.301 5.502 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -15.235 8.184 6.990 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -14.143 8.240 5.586 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -12.059 5.420 4.046 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -12.644 7.055 4.434 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -11.579 6.198 5.573 1.00 0.00 H new ATOM 1158 N ALA A 77 -13.105 8.864 8.798 1.00 0.00 N ATOM 1159 CA ALA A 77 -13.465 9.733 9.906 1.00 0.00 C ATOM 1160 C ALA A 77 -14.950 9.552 10.228 1.00 0.00 C ATOM 1161 O ALA A 77 -15.618 8.705 9.638 1.00 0.00 O ATOM 1162 CB ALA A 77 -13.117 11.181 9.553 1.00 0.00 C ATOM 0 H ALA A 77 -12.637 9.333 8.022 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.899 9.470 10.800 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.387 11.833 10.384 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.047 11.262 9.361 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -13.669 11.481 8.662 1.00 0.00 H new ATOM 1321 N PHE A 87 -16.042 12.173 1.796 1.00 0.00 N ATOM 1322 CA PHE A 87 -14.867 11.345 1.587 1.00 0.00 C ATOM 1323 C PHE A 87 -13.673 11.874 2.385 1.00 0.00 C ATOM 1324 O PHE A 87 -12.768 12.487 1.821 1.00 0.00 O ATOM 1325 CB PHE A 87 -14.535 11.407 0.095 1.00 0.00 C ATOM 1326 CG PHE A 87 -15.746 11.679 -0.801 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -16.671 10.704 -1.010 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -15.897 12.897 -1.388 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -17.794 10.958 -1.841 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -17.020 13.150 -2.219 1.00 0.00 C ATOM 1331 CZ PHE A 87 -17.945 12.175 -2.428 1.00 0.00 C ATOM 0 HA PHE A 87 -15.068 10.326 1.917 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -13.792 12.187 -0.069 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -14.079 10.464 -0.205 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -16.551 9.737 -0.544 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -15.163 13.671 -1.222 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -18.529 10.184 -2.007 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -17.140 14.117 -2.685 1.00 0.00 H new ATOM 0 HZ PHE A 87 -18.799 12.368 -3.060 1.00 0.00 H new ATOM 1341 N CYS A 88 -13.710 11.618 3.684 1.00 0.00 N ATOM 1342 CA CYS A 88 -12.643 12.061 4.565 1.00 0.00 C ATOM 1343 C CYS A 88 -12.187 10.866 5.405 1.00 0.00 C ATOM 1344 O CYS A 88 -13.005 10.198 6.037 1.00 0.00 O ATOM 1345 CB CYS A 88 -13.082 13.238 5.438 1.00 0.00 C ATOM 1346 SG CYS A 88 -12.290 14.780 4.853 1.00 0.00 S ATOM 0 H CYS A 88 -14.462 11.109 4.148 1.00 0.00 H new ATOM 0 HA CYS A 88 -11.806 12.427 3.971 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -14.167 13.341 5.405 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -12.811 13.052 6.477 1.00 0.00 H new ATOM 0 HG CYS A 88 -11.001 14.684 4.987 1.00 0.00 H new ATOM 1352 N PHE A 89 -10.883 10.634 5.386 1.00 0.00 N ATOM 1353 CA PHE A 89 -10.308 9.531 6.139 1.00 0.00 C ATOM 1354 C PHE A 89 -9.388 10.046 7.248 1.00 0.00 C ATOM 1355 O PHE A 89 -8.745 11.083 7.095 1.00 0.00 O ATOM 1356 CB PHE A 89 -9.485 8.699 5.154 1.00 0.00 C ATOM 1357 CG PHE A 89 -8.228 9.405 4.642 1.00 0.00 C ATOM 1358 CD1 PHE A 89 -7.159 9.574 5.465 1.00 0.00 C ATOM 1359 CD2 PHE A 89 -8.179 9.864 3.362 1.00 0.00 C ATOM 1360 CE1 PHE A 89 -5.992 10.229 4.990 1.00 0.00 C ATOM 1361 CE2 PHE A 89 -7.012 10.519 2.886 1.00 0.00 C ATOM 1362 CZ PHE A 89 -5.944 10.688 3.710 1.00 0.00 C ATOM 0 H PHE A 89 -10.208 11.190 4.861 1.00 0.00 H new ATOM 0 HA PHE A 89 -11.100 8.944 6.604 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -9.194 7.766 5.637 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -10.113 8.435 4.303 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.197 9.210 6.481 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -9.028 9.730 2.708 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.143 10.363 5.644 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -6.973 10.883 1.870 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.057 11.187 3.348 1.00 0.00 H new ATOM 1372 N VAL A 90 -9.354 9.296 8.340 1.00 0.00 N ATOM 1373 CA VAL A 90 -8.523 9.663 9.474 1.00 0.00 C ATOM 1374 C VAL A 90 -7.384 8.651 9.614 1.00 0.00 C ATOM 1375 O VAL A 90 -7.626 7.457 9.779 1.00 0.00 O ATOM 1376 CB VAL A 90 -9.381 9.776 10.736 1.00 0.00 C ATOM 1377 CG1 VAL A 90 -8.543 9.529 11.992 1.00 0.00 C ATOM 1378 CG2 VAL A 90 -10.082 11.134 10.802 1.00 0.00 C ATOM 0 H VAL A 90 -9.888 8.436 8.463 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.071 10.642 9.316 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.150 9.005 10.689 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.176 9.615 12.875 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -8.112 8.529 11.951 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.743 10.267 12.046 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -10.685 11.188 11.708 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -9.336 11.928 10.815 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -10.725 11.254 9.930 1.00 0.00 H new ATOM 1388 N ILE A 91 -6.165 9.167 9.544 1.00 0.00 N ATOM 1389 CA ILE A 91 -4.988 8.324 9.661 1.00 0.00 C ATOM 1390 C ILE A 91 -4.646 8.135 11.140 1.00 0.00 C ATOM 1391 O ILE A 91 -4.129 9.047 11.783 1.00 0.00 O ATOM 1392 CB ILE A 91 -3.836 8.895 8.832 1.00 0.00 C ATOM 1393 CG1 ILE A 91 -4.025 8.588 7.345 1.00 0.00 C ATOM 1394 CG2 ILE A 91 -2.486 8.396 9.352 1.00 0.00 C ATOM 1395 CD1 ILE A 91 -3.039 9.386 6.490 1.00 0.00 C ATOM 0 H ILE A 91 -5.968 10.158 9.408 1.00 0.00 H new ATOM 0 HA ILE A 91 -5.186 7.334 9.250 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.843 9.980 8.941 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -3.884 7.522 7.170 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.046 8.827 7.048 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.684 8.817 8.745 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.358 8.707 10.389 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.453 7.308 9.293 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.195 9.149 5.438 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.199 10.452 6.649 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.019 9.126 6.773 1.00 0.00 H new ATOM 1407 N ASN A 92 -4.950 6.945 11.637 1.00 0.00 N ATOM 1408 CA ASN A 92 -4.682 6.625 13.029 1.00 0.00 C ATOM 1409 C ASN A 92 -3.224 6.185 13.175 1.00 0.00 C ATOM 1410 O ASN A 92 -2.771 5.281 12.474 1.00 0.00 O ATOM 1411 CB ASN A 92 -5.572 5.477 13.511 1.00 0.00 C ATOM 1412 CG ASN A 92 -6.468 5.927 14.667 1.00 0.00 C ATOM 1413 OD1 ASN A 92 -6.015 6.459 15.668 1.00 0.00 O ATOM 1414 ND2 ASN A 92 -7.761 5.686 14.475 1.00 0.00 N ATOM 0 H ASN A 92 -5.379 6.191 11.101 1.00 0.00 H new ATOM 0 HA ASN A 92 -4.886 7.515 13.625 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.188 5.119 12.686 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -4.951 4.640 13.832 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -8.440 5.950 15.189 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -8.074 5.237 13.614 1.00 0.00 H new ATOM 1421 N ALA A 93 -2.528 6.846 14.089 1.00 0.00 N ATOM 1422 CA ALA A 93 -1.131 6.535 14.335 1.00 0.00 C ATOM 1423 C ALA A 93 -0.945 6.178 15.811 1.00 0.00 C ATOM 1424 O ALA A 93 -1.816 5.556 16.417 1.00 0.00 O ATOM 1425 CB ALA A 93 -0.261 7.719 13.908 1.00 0.00 C ATOM 0 H ALA A 93 -2.906 7.596 14.668 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.820 5.673 13.745 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.788 7.485 14.093 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.408 7.914 12.846 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.542 8.603 14.481 1.00 0.00 H new ATOM 1431 N LEU A 94 0.196 6.586 16.347 1.00 0.00 N ATOM 1432 CA LEU A 94 0.507 6.317 17.740 1.00 0.00 C ATOM 1433 C LEU A 94 -0.759 6.483 18.583 1.00 0.00 C ATOM 1434 O LEU A 94 -1.251 5.519 19.167 1.00 0.00 O ATOM 1435 CB LEU A 94 1.675 7.188 18.207 1.00 0.00 C ATOM 1436 CG LEU A 94 2.962 7.079 17.387 1.00 0.00 C ATOM 1437 CD1 LEU A 94 4.179 7.487 18.221 1.00 0.00 C ATOM 1438 CD2 LEU A 94 3.117 5.678 16.793 1.00 0.00 C ATOM 0 H LEU A 94 0.916 7.101 15.841 1.00 0.00 H new ATOM 0 HA LEU A 94 0.839 5.286 17.863 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.351 8.229 18.202 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.904 6.931 19.241 1.00 0.00 H new ATOM 0 HG LEU A 94 2.895 7.776 16.552 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.081 7.401 17.615 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.063 8.518 18.554 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.261 6.833 19.089 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.040 5.628 16.215 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.152 4.944 17.598 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.269 5.463 16.142 1.00 0.00 H new ATOM 1450 N SER A 95 -1.251 7.713 18.618 1.00 0.00 N ATOM 1451 CA SER A 95 -2.450 8.018 19.379 1.00 0.00 C ATOM 1452 C SER A 95 -3.070 9.323 18.878 1.00 0.00 C ATOM 1453 O SER A 95 -3.673 10.066 19.651 1.00 0.00 O ATOM 1454 CB SER A 95 -2.143 8.116 20.875 1.00 0.00 C ATOM 1455 OG SER A 95 -3.072 7.373 21.660 1.00 0.00 O ATOM 0 H SER A 95 -0.841 8.510 18.131 1.00 0.00 H new ATOM 0 HA SER A 95 -3.162 7.206 19.234 1.00 0.00 H new ATOM 0 HB2 SER A 95 -1.134 7.749 21.063 1.00 0.00 H new ATOM 0 HB3 SER A 95 -2.164 9.162 21.182 1.00 0.00 H new ATOM 0 HG SER A 95 -2.841 7.459 22.609 1.00 0.00 H new ATOM 1461 N GLN A 96 -2.901 9.564 17.586 1.00 0.00 N ATOM 1462 CA GLN A 96 -3.437 10.767 16.972 1.00 0.00 C ATOM 1463 C GLN A 96 -4.318 10.405 15.775 1.00 0.00 C ATOM 1464 O GLN A 96 -4.413 9.237 15.400 1.00 0.00 O ATOM 1465 CB GLN A 96 -2.312 11.718 16.556 1.00 0.00 C ATOM 1466 CG GLN A 96 -2.382 13.027 17.345 1.00 0.00 C ATOM 1467 CD GLN A 96 -1.270 13.986 16.915 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -0.277 13.599 16.320 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -1.490 15.254 17.249 1.00 0.00 N ATOM 0 H GLN A 96 -2.400 8.946 16.947 1.00 0.00 H new ATOM 0 HA GLN A 96 -4.052 11.284 17.708 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -1.347 11.240 16.722 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -2.384 11.928 15.489 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -3.353 13.498 17.190 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -2.295 12.818 18.411 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -2.343 15.510 17.747 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -0.806 15.971 17.007 1.00 0.00 H new ATOM 1478 N ARG A 97 -4.942 11.427 15.209 1.00 0.00 N ATOM 1479 CA ARG A 97 -5.813 11.231 14.063 1.00 0.00 C ATOM 1480 C ARG A 97 -5.717 12.427 13.112 1.00 0.00 C ATOM 1481 O ARG A 97 -6.180 13.520 13.435 1.00 0.00 O ATOM 1482 CB ARG A 97 -7.268 11.053 14.501 1.00 0.00 C ATOM 1483 CG ARG A 97 -7.605 11.976 15.673 1.00 0.00 C ATOM 1484 CD ARG A 97 -8.859 12.802 15.377 1.00 0.00 C ATOM 1485 NE ARG A 97 -8.728 14.151 15.972 1.00 0.00 N ATOM 1486 CZ ARG A 97 -9.000 14.436 17.253 1.00 0.00 C ATOM 1487 NH1 ARG A 97 -9.418 13.470 18.081 1.00 0.00 N ATOM 1488 NH2 ARG A 97 -8.853 15.689 17.706 1.00 0.00 N ATOM 0 H ARG A 97 -4.862 12.394 15.523 1.00 0.00 H new ATOM 0 HA ARG A 97 -5.486 10.327 13.550 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -7.932 11.266 13.663 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -7.440 10.016 14.789 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -7.760 11.383 16.575 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -6.765 12.642 15.870 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -9.005 12.883 14.300 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -9.739 12.301 15.781 1.00 0.00 H new ATOM 0 HE ARG A 97 -8.411 14.911 15.370 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -9.530 12.516 17.737 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -9.625 13.688 19.056 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -8.534 16.425 17.076 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -9.060 15.906 18.681 1.00 0.00 H new ATOM 1502 N TYR A 98 -5.113 12.178 11.960 1.00 0.00 N ATOM 1503 CA TYR A 98 -4.950 13.220 10.960 1.00 0.00 C ATOM 1504 C TYR A 98 -6.183 13.315 10.060 1.00 0.00 C ATOM 1505 O TYR A 98 -6.626 12.313 9.500 1.00 0.00 O ATOM 1506 CB TYR A 98 -3.745 12.807 10.113 1.00 0.00 C ATOM 1507 CG TYR A 98 -2.395 13.040 10.795 1.00 0.00 C ATOM 1508 CD1 TYR A 98 -1.796 14.281 10.734 1.00 0.00 C ATOM 1509 CD2 TYR A 98 -1.776 12.007 11.470 1.00 0.00 C ATOM 1510 CE1 TYR A 98 -0.526 14.500 11.376 1.00 0.00 C ATOM 1511 CE2 TYR A 98 -0.506 12.226 12.112 1.00 0.00 C ATOM 1512 CZ TYR A 98 0.057 13.462 12.033 1.00 0.00 C ATOM 1513 OH TYR A 98 1.256 13.668 12.639 1.00 0.00 O ATOM 0 H TYR A 98 -4.730 11.270 11.696 1.00 0.00 H new ATOM 0 HA TYR A 98 -4.813 14.191 11.437 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -3.836 11.750 9.862 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -3.767 13.361 9.174 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -2.280 15.089 10.205 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -2.244 11.035 11.516 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -0.047 15.467 11.337 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.011 11.427 12.644 1.00 0.00 H new ATOM 0 HH TYR A 98 1.552 12.839 13.070 1.00 0.00 H new ATOM 1523 N PHE A 99 -6.704 14.528 9.949 1.00 0.00 N ATOM 1524 CA PHE A 99 -7.878 14.766 9.127 1.00 0.00 C ATOM 1525 C PHE A 99 -7.482 15.293 7.746 1.00 0.00 C ATOM 1526 O PHE A 99 -6.972 16.405 7.625 1.00 0.00 O ATOM 1527 CB PHE A 99 -8.718 15.826 9.842 1.00 0.00 C ATOM 1528 CG PHE A 99 -9.382 15.330 11.128 1.00 0.00 C ATOM 1529 CD1 PHE A 99 -9.947 14.093 11.168 1.00 0.00 C ATOM 1530 CD2 PHE A 99 -9.408 16.125 12.231 1.00 0.00 C ATOM 1531 CE1 PHE A 99 -10.563 13.633 12.362 1.00 0.00 C ATOM 1532 CE2 PHE A 99 -10.024 15.665 13.424 1.00 0.00 C ATOM 1533 CZ PHE A 99 -10.589 14.428 13.465 1.00 0.00 C ATOM 0 H PHE A 99 -6.334 15.357 10.415 1.00 0.00 H new ATOM 0 HA PHE A 99 -8.429 13.836 8.988 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -8.083 16.679 10.079 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -9.490 16.183 9.161 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -9.927 13.461 10.292 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -8.960 17.107 12.199 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -11.011 12.651 12.394 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -10.044 16.297 14.300 1.00 0.00 H new ATOM 0 HZ PHE A 99 -11.058 14.078 14.373 1.00 0.00 H new ATOM 1543 N LEU A 100 -7.733 14.468 6.739 1.00 0.00 N ATOM 1544 CA LEU A 100 -7.409 14.837 5.372 1.00 0.00 C ATOM 1545 C LEU A 100 -8.670 14.742 4.510 1.00 0.00 C ATOM 1546 O LEU A 100 -9.603 14.014 4.848 1.00 0.00 O ATOM 1547 CB LEU A 100 -6.243 13.994 4.851 1.00 0.00 C ATOM 1548 CG LEU A 100 -4.997 13.951 5.738 1.00 0.00 C ATOM 1549 CD1 LEU A 100 -5.182 12.968 6.896 1.00 0.00 C ATOM 1550 CD2 LEU A 100 -3.748 13.637 4.914 1.00 0.00 C ATOM 0 H LEU A 100 -8.157 13.546 6.843 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.069 15.872 5.327 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.596 12.973 4.705 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.954 14.375 3.871 1.00 0.00 H new ATOM 0 HG LEU A 100 -4.854 14.940 6.174 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.282 12.957 7.511 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.033 13.277 7.503 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.363 11.969 6.500 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.877 13.612 5.569 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -3.866 12.667 4.430 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.610 14.407 4.155 1.00 0.00 H new ATOM 1562 N GLN A 101 -8.657 15.486 3.414 1.00 0.00 N ATOM 1563 CA GLN A 101 -9.788 15.495 2.502 1.00 0.00 C ATOM 1564 C GLN A 101 -9.370 14.952 1.134 1.00 0.00 C ATOM 1565 O GLN A 101 -8.237 15.154 0.702 1.00 0.00 O ATOM 1566 CB GLN A 101 -10.380 16.900 2.377 1.00 0.00 C ATOM 1567 CG GLN A 101 -11.808 16.846 1.830 1.00 0.00 C ATOM 1568 CD GLN A 101 -12.361 18.254 1.600 1.00 0.00 C ATOM 1569 OE1 GLN A 101 -11.757 19.086 0.944 1.00 0.00 O ATOM 1570 NE2 GLN A 101 -13.540 18.473 2.175 1.00 0.00 N ATOM 0 H GLN A 101 -7.881 16.087 3.137 1.00 0.00 H new ATOM 0 HA GLN A 101 -10.563 14.845 2.908 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -10.378 17.387 3.352 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -9.757 17.504 1.718 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -11.822 16.289 0.893 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -12.449 16.309 2.529 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -13.992 17.732 2.711 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -13.993 19.382 2.080 1.00 0.00 H new ATOM 1579 N ALA A 102 -10.309 14.273 0.491 1.00 0.00 N ATOM 1580 CA ALA A 102 -10.053 13.699 -0.819 1.00 0.00 C ATOM 1581 C ALA A 102 -10.883 14.442 -1.868 1.00 0.00 C ATOM 1582 O ALA A 102 -11.832 15.147 -1.528 1.00 0.00 O ATOM 1583 CB ALA A 102 -10.358 12.200 -0.789 1.00 0.00 C ATOM 0 H ALA A 102 -11.248 14.108 0.853 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.003 13.812 -1.089 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.166 11.770 -1.772 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.722 11.714 -0.049 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.404 12.047 -0.524 1.00 0.00 H new ATOM 1589 N ASN A 103 -10.496 14.258 -3.122 1.00 0.00 N ATOM 1590 CA ASN A 103 -11.193 14.902 -4.222 1.00 0.00 C ATOM 1591 C ASN A 103 -12.554 14.232 -4.420 1.00 0.00 C ATOM 1592 O ASN A 103 -13.593 14.853 -4.204 1.00 0.00 O ATOM 1593 CB ASN A 103 -10.405 14.767 -5.527 1.00 0.00 C ATOM 1594 CG ASN A 103 -9.442 15.942 -5.710 1.00 0.00 C ATOM 1595 OD1 ASN A 103 -9.799 17.000 -6.202 1.00 0.00 O ATOM 1596 ND2 ASN A 103 -8.205 15.699 -5.287 1.00 0.00 N ATOM 0 H ASN A 103 -9.709 13.672 -3.400 1.00 0.00 H new ATOM 0 HA ASN A 103 -11.307 15.958 -3.977 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -9.846 13.831 -5.523 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -11.095 14.723 -6.370 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -7.488 16.421 -5.365 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -7.973 14.791 -4.885 1.00 0.00 H new ATOM 1603 N ASP A 104 -12.504 12.972 -4.829 1.00 0.00 N ATOM 1604 CA ASP A 104 -13.720 12.211 -5.058 1.00 0.00 C ATOM 1605 C ASP A 104 -13.793 11.060 -4.053 1.00 0.00 C ATOM 1606 O ASP A 104 -12.996 10.995 -3.118 1.00 0.00 O ATOM 1607 CB ASP A 104 -13.737 11.611 -6.466 1.00 0.00 C ATOM 1608 CG ASP A 104 -12.442 11.790 -7.260 1.00 0.00 C ATOM 1609 OD1 ASP A 104 -11.383 11.415 -6.711 1.00 0.00 O ATOM 1610 OD2 ASP A 104 -12.539 12.296 -8.399 1.00 0.00 O ATOM 0 H ASP A 104 -11.640 12.460 -5.007 1.00 0.00 H new ATOM 0 HA ASP A 104 -14.568 12.887 -4.943 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -13.954 10.546 -6.388 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -14.555 12.062 -7.027 1.00 0.00 H new ATOM 1615 N GLN A 105 -14.756 10.179 -4.280 1.00 0.00 N ATOM 1616 CA GLN A 105 -14.944 9.034 -3.405 1.00 0.00 C ATOM 1617 C GLN A 105 -13.883 7.969 -3.691 1.00 0.00 C ATOM 1618 O GLN A 105 -13.563 7.158 -2.823 1.00 0.00 O ATOM 1619 CB GLN A 105 -16.353 8.456 -3.553 1.00 0.00 C ATOM 1620 CG GLN A 105 -16.408 7.009 -3.058 1.00 0.00 C ATOM 1621 CD GLN A 105 -17.809 6.421 -3.237 1.00 0.00 C ATOM 1622 OE1 GLN A 105 -18.269 6.171 -4.339 1.00 0.00 O ATOM 1623 NE2 GLN A 105 -18.459 6.215 -2.096 1.00 0.00 N ATOM 0 H GLN A 105 -15.414 10.235 -5.057 1.00 0.00 H new ATOM 0 HA GLN A 105 -14.830 9.367 -2.373 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -17.060 9.064 -2.989 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -16.659 8.498 -4.598 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -15.684 6.406 -3.606 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -16.125 6.970 -2.006 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -18.015 6.447 -1.207 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -19.402 5.825 -2.109 1.00 0.00 H new ATOM 1632 N LYS A 106 -13.367 8.005 -4.910 1.00 0.00 N ATOM 1633 CA LYS A 106 -12.348 7.054 -5.321 1.00 0.00 C ATOM 1634 C LYS A 106 -11.044 7.357 -4.580 1.00 0.00 C ATOM 1635 O LYS A 106 -10.605 6.572 -3.741 1.00 0.00 O ATOM 1636 CB LYS A 106 -12.203 7.048 -6.844 1.00 0.00 C ATOM 1637 CG LYS A 106 -13.402 6.365 -7.506 1.00 0.00 C ATOM 1638 CD LYS A 106 -13.040 5.855 -8.902 1.00 0.00 C ATOM 1639 CE LYS A 106 -13.246 6.946 -9.955 1.00 0.00 C ATOM 1640 NZ LYS A 106 -13.370 6.349 -11.303 1.00 0.00 N ATOM 0 H LYS A 106 -13.636 8.678 -5.627 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.642 6.040 -5.048 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -12.116 8.071 -7.209 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.285 6.531 -7.124 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -13.739 5.533 -6.887 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -14.233 7.067 -7.576 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -12.001 5.524 -8.914 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -13.654 4.988 -9.147 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -14.142 7.520 -9.721 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -12.407 7.642 -9.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -13.509 7.103 -12.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -12.503 5.821 -11.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -14.185 5.703 -11.323 1.00 0.00 H new ATOM 1654 N ASP A 107 -10.462 8.499 -4.917 1.00 0.00 N ATOM 1655 CA ASP A 107 -9.217 8.916 -4.294 1.00 0.00 C ATOM 1656 C ASP A 107 -9.285 8.637 -2.791 1.00 0.00 C ATOM 1657 O ASP A 107 -8.338 8.107 -2.211 1.00 0.00 O ATOM 1658 CB ASP A 107 -8.981 10.415 -4.486 1.00 0.00 C ATOM 1659 CG ASP A 107 -7.560 10.797 -4.908 1.00 0.00 C ATOM 1660 OD1 ASP A 107 -6.929 9.965 -5.595 1.00 0.00 O ATOM 1661 OD2 ASP A 107 -7.137 11.912 -4.533 1.00 0.00 O ATOM 0 H ASP A 107 -10.829 9.148 -5.613 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.404 8.360 -4.760 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -9.679 10.784 -5.238 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -9.217 10.927 -3.553 1.00 0.00 H new ATOM 1666 N LEU A 108 -10.414 9.006 -2.204 1.00 0.00 N ATOM 1667 CA LEU A 108 -10.617 8.802 -0.779 1.00 0.00 C ATOM 1668 C LEU A 108 -10.363 7.332 -0.438 1.00 0.00 C ATOM 1669 O LEU A 108 -9.387 7.007 0.236 1.00 0.00 O ATOM 1670 CB LEU A 108 -12.002 9.300 -0.359 1.00 0.00 C ATOM 1671 CG LEU A 108 -12.452 8.919 1.052 1.00 0.00 C ATOM 1672 CD1 LEU A 108 -13.097 7.531 1.066 1.00 0.00 C ATOM 1673 CD2 LEU A 108 -11.292 9.021 2.045 1.00 0.00 C ATOM 0 H LEU A 108 -11.197 9.445 -2.688 1.00 0.00 H new ATOM 0 HA LEU A 108 -9.903 9.392 -0.204 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -12.016 10.387 -0.442 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -12.735 8.916 -1.069 1.00 0.00 H new ATOM 0 HG LEU A 108 -13.213 9.632 1.371 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -13.408 7.285 2.081 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -13.967 7.527 0.409 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -12.376 6.791 0.718 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -11.640 8.745 3.040 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -10.492 8.347 1.740 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -10.917 10.044 2.063 1.00 0.00 H new ATOM 1685 N LYS A 109 -11.260 6.482 -0.918 1.00 0.00 N ATOM 1686 CA LYS A 109 -11.145 5.055 -0.672 1.00 0.00 C ATOM 1687 C LYS A 109 -9.722 4.598 -1.000 1.00 0.00 C ATOM 1688 O LYS A 109 -9.017 4.083 -0.134 1.00 0.00 O ATOM 1689 CB LYS A 109 -12.228 4.291 -1.436 1.00 0.00 C ATOM 1690 CG LYS A 109 -13.321 3.795 -0.488 1.00 0.00 C ATOM 1691 CD LYS A 109 -13.379 2.266 -0.469 1.00 0.00 C ATOM 1692 CE LYS A 109 -14.651 1.757 -1.150 1.00 0.00 C ATOM 1693 NZ LYS A 109 -14.363 0.542 -1.945 1.00 0.00 N ATOM 0 H LYS A 109 -12.069 6.755 -1.476 1.00 0.00 H new ATOM 0 HA LYS A 109 -11.315 4.835 0.382 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -12.667 4.938 -2.196 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -11.782 3.444 -1.957 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -13.131 4.168 0.519 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -14.286 4.195 -0.799 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -12.504 1.859 -0.975 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -13.346 1.910 0.561 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -15.409 1.536 -0.399 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -15.060 2.533 -1.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -15.237 0.210 -2.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -13.655 0.764 -2.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -13.994 -0.203 -1.320 1.00 0.00 H new ATOM 1707 N ASP A 110 -9.343 4.804 -2.253 1.00 0.00 N ATOM 1708 CA ASP A 110 -8.017 4.419 -2.706 1.00 0.00 C ATOM 1709 C ASP A 110 -6.994 4.757 -1.620 1.00 0.00 C ATOM 1710 O ASP A 110 -6.327 3.868 -1.093 1.00 0.00 O ATOM 1711 CB ASP A 110 -7.627 5.179 -3.976 1.00 0.00 C ATOM 1712 CG ASP A 110 -7.671 4.353 -5.263 1.00 0.00 C ATOM 1713 OD1 ASP A 110 -7.107 3.238 -5.241 1.00 0.00 O ATOM 1714 OD2 ASP A 110 -8.268 4.856 -6.239 1.00 0.00 O ATOM 0 H ASP A 110 -9.931 5.232 -2.968 1.00 0.00 H new ATOM 0 HA ASP A 110 -8.029 3.349 -2.915 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -8.293 6.035 -4.088 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -6.619 5.574 -3.850 1.00 0.00 H new ATOM 1719 N TRP A 111 -6.902 6.044 -1.318 1.00 0.00 N ATOM 1720 CA TRP A 111 -5.971 6.510 -0.304 1.00 0.00 C ATOM 1721 C TRP A 111 -6.130 5.618 0.929 1.00 0.00 C ATOM 1722 O TRP A 111 -5.197 4.915 1.316 1.00 0.00 O ATOM 1723 CB TRP A 111 -6.188 7.993 -0.001 1.00 0.00 C ATOM 1724 CG TRP A 111 -5.345 8.935 -0.863 1.00 0.00 C ATOM 1725 CD1 TRP A 111 -5.764 9.782 -1.813 1.00 0.00 C ATOM 1726 CD2 TRP A 111 -3.911 9.091 -0.816 1.00 0.00 C ATOM 1727 NE1 TRP A 111 -4.710 10.470 -2.379 1.00 0.00 N ATOM 1728 CE2 TRP A 111 -3.547 10.036 -1.753 1.00 0.00 C ATOM 1729 CE3 TRP A 111 -2.952 8.454 -0.008 1.00 0.00 C ATOM 1730 CZ2 TRP A 111 -2.221 10.430 -1.970 1.00 0.00 C ATOM 1731 CZ3 TRP A 111 -1.632 8.859 -0.237 1.00 0.00 C ATOM 1732 CH2 TRP A 111 -1.250 9.809 -1.177 1.00 0.00 C ATOM 0 H TRP A 111 -7.457 6.778 -1.758 1.00 0.00 H new ATOM 0 HA TRP A 111 -4.943 6.433 -0.659 1.00 0.00 H new ATOM 0 HB2 TRP A 111 -7.242 8.232 -0.144 1.00 0.00 H new ATOM 0 HB3 TRP A 111 -5.959 8.176 1.049 1.00 0.00 H new ATOM 0 HD1 TRP A 111 -6.797 9.910 -2.100 1.00 0.00 H new ATOM 0 HE1 TRP A 111 -4.773 11.168 -3.120 1.00 0.00 H new ATOM 0 HE3 TRP A 111 -3.214 7.711 0.731 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -1.962 11.173 -2.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -0.856 8.401 0.358 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -0.208 10.067 -1.295 1.00 0.00 H new ATOM 1743 N VAL A 112 -7.318 5.676 1.513 1.00 0.00 N ATOM 1744 CA VAL A 112 -7.611 4.882 2.694 1.00 0.00 C ATOM 1745 C VAL A 112 -7.055 3.470 2.505 1.00 0.00 C ATOM 1746 O VAL A 112 -6.469 2.901 3.425 1.00 0.00 O ATOM 1747 CB VAL A 112 -9.114 4.900 2.977 1.00 0.00 C ATOM 1748 CG1 VAL A 112 -9.444 4.103 4.241 1.00 0.00 C ATOM 1749 CG2 VAL A 112 -9.635 6.335 3.082 1.00 0.00 C ATOM 0 H VAL A 112 -8.089 6.261 1.190 1.00 0.00 H new ATOM 0 HA VAL A 112 -7.124 5.308 3.571 1.00 0.00 H new ATOM 0 HB VAL A 112 -9.618 4.421 2.138 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -10.519 4.132 4.419 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -9.125 3.069 4.112 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -8.923 4.540 5.093 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -10.706 6.319 3.284 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -9.121 6.850 3.893 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -9.450 6.859 2.144 1.00 0.00 H new ATOM 1759 N GLU A 113 -7.258 2.944 1.306 1.00 0.00 N ATOM 1760 CA GLU A 113 -6.785 1.608 0.984 1.00 0.00 C ATOM 1761 C GLU A 113 -5.255 1.579 0.960 1.00 0.00 C ATOM 1762 O GLU A 113 -4.635 0.777 1.657 1.00 0.00 O ATOM 1763 CB GLU A 113 -7.363 1.127 -0.348 1.00 0.00 C ATOM 1764 CG GLU A 113 -8.887 1.269 -0.366 1.00 0.00 C ATOM 1765 CD GLU A 113 -9.552 -0.033 -0.819 1.00 0.00 C ATOM 1766 OE1 GLU A 113 -9.578 -0.259 -2.048 1.00 0.00 O ATOM 1767 OE2 GLU A 113 -10.021 -0.771 0.074 1.00 0.00 O ATOM 0 H GLU A 113 -7.744 3.419 0.545 1.00 0.00 H new ATOM 0 HA GLU A 113 -7.131 0.925 1.760 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -6.931 1.703 -1.166 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -7.089 0.085 -0.513 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -9.243 1.537 0.629 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -9.173 2.080 -1.036 1.00 0.00 H new ATOM 1774 N ALA A 114 -4.691 2.464 0.151 1.00 0.00 N ATOM 1775 CA ALA A 114 -3.246 2.549 0.027 1.00 0.00 C ATOM 1776 C ALA A 114 -2.629 2.728 1.416 1.00 0.00 C ATOM 1777 O ALA A 114 -1.637 2.079 1.746 1.00 0.00 O ATOM 1778 CB ALA A 114 -2.881 3.691 -0.924 1.00 0.00 C ATOM 0 H ALA A 114 -5.209 3.128 -0.425 1.00 0.00 H new ATOM 0 HA ALA A 114 -2.843 1.630 -0.397 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -1.797 3.755 -1.017 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -3.319 3.502 -1.904 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.267 4.631 -0.529 1.00 0.00 H new ATOM 1784 N LEU A 115 -3.241 3.611 2.191 1.00 0.00 N ATOM 1785 CA LEU A 115 -2.764 3.883 3.536 1.00 0.00 C ATOM 1786 C LEU A 115 -3.002 2.654 4.416 1.00 0.00 C ATOM 1787 O LEU A 115 -2.364 2.498 5.456 1.00 0.00 O ATOM 1788 CB LEU A 115 -3.401 5.162 4.082 1.00 0.00 C ATOM 1789 CG LEU A 115 -2.960 6.468 3.417 1.00 0.00 C ATOM 1790 CD1 LEU A 115 -4.023 7.556 3.586 1.00 0.00 C ATOM 1791 CD2 LEU A 115 -1.594 6.915 3.941 1.00 0.00 C ATOM 0 H LEU A 115 -4.063 4.147 1.913 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.690 4.067 3.529 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -4.483 5.075 3.985 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -3.181 5.228 5.148 1.00 0.00 H new ATOM 0 HG LEU A 115 -2.852 6.288 2.348 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -3.684 8.473 3.104 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -4.956 7.228 3.127 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -4.187 7.743 4.647 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -1.304 7.845 3.453 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -1.651 7.073 5.018 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -0.852 6.146 3.726 1.00 0.00 H new ATOM 1803 N ASN A 116 -3.921 1.813 3.965 1.00 0.00 N ATOM 1804 CA ASN A 116 -4.251 0.602 4.698 1.00 0.00 C ATOM 1805 C ASN A 116 -3.353 -0.540 4.218 1.00 0.00 C ATOM 1806 O ASN A 116 -3.276 -1.586 4.862 1.00 0.00 O ATOM 1807 CB ASN A 116 -5.705 0.192 4.458 1.00 0.00 C ATOM 1808 CG ASN A 116 -6.573 0.514 5.677 1.00 0.00 C ATOM 1809 OD1 ASN A 116 -6.681 -0.257 6.616 1.00 0.00 O ATOM 1810 ND2 ASN A 116 -7.185 1.693 5.609 1.00 0.00 N ATOM 0 H ASN A 116 -4.447 1.946 3.102 1.00 0.00 H new ATOM 0 HA ASN A 116 -4.102 0.799 5.760 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -6.094 0.712 3.583 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -5.755 -0.875 4.243 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -7.788 1.999 6.373 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -7.051 2.291 4.793 1.00 0.00 H new ATOM 1817 N GLN A 117 -2.696 -0.301 3.093 1.00 0.00 N ATOM 1818 CA GLN A 117 -1.807 -1.297 2.520 1.00 0.00 C ATOM 1819 C GLN A 117 -0.360 -1.017 2.932 1.00 0.00 C ATOM 1820 O GLN A 117 0.371 -1.933 3.306 1.00 0.00 O ATOM 1821 CB GLN A 117 -1.943 -1.342 0.996 1.00 0.00 C ATOM 1822 CG GLN A 117 -3.397 -1.580 0.583 1.00 0.00 C ATOM 1823 CD GLN A 117 -3.493 -2.675 -0.482 1.00 0.00 C ATOM 1824 OE1 GLN A 117 -3.400 -2.428 -1.673 1.00 0.00 O ATOM 1825 NE2 GLN A 117 -3.683 -3.895 0.012 1.00 0.00 N ATOM 0 H GLN A 117 -2.761 0.568 2.563 1.00 0.00 H new ATOM 0 HA GLN A 117 -2.092 -2.275 2.907 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -1.588 -0.405 0.568 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -1.312 -2.135 0.594 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -3.985 -1.864 1.456 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -3.825 -0.655 0.198 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -3.752 -4.032 1.020 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -3.760 -4.694 -0.618 1.00 0.00 H new ATOM 1834 N ALA A 118 0.009 0.253 2.851 1.00 0.00 N ATOM 1835 CA ALA A 118 1.355 0.665 3.211 1.00 0.00 C ATOM 1836 C ALA A 118 1.545 0.508 4.721 1.00 0.00 C ATOM 1837 O ALA A 118 2.672 0.401 5.201 1.00 0.00 O ATOM 1838 CB ALA A 118 1.593 2.101 2.740 1.00 0.00 C ATOM 0 H ALA A 118 -0.601 1.010 2.541 1.00 0.00 H new ATOM 0 HA ALA A 118 2.094 0.034 2.718 1.00 0.00 H new ATOM 0 HB1 ALA A 118 2.603 2.410 3.010 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.475 2.153 1.658 1.00 0.00 H new ATOM 0 HB3 ALA A 118 0.871 2.764 3.216 1.00 0.00 H new ATOM 1844 N SER A 119 0.424 0.499 5.428 1.00 0.00 N ATOM 1845 CA SER A 119 0.453 0.357 6.874 1.00 0.00 C ATOM 1846 C SER A 119 0.575 -1.120 7.252 1.00 0.00 C ATOM 1847 O SER A 119 1.324 -1.472 8.163 1.00 0.00 O ATOM 1848 CB SER A 119 -0.797 0.967 7.513 1.00 0.00 C ATOM 1849 OG SER A 119 -1.987 0.575 6.835 1.00 0.00 O ATOM 0 H SER A 119 -0.509 0.588 5.027 1.00 0.00 H new ATOM 0 HA SER A 119 1.321 0.896 7.253 1.00 0.00 H new ATOM 0 HB2 SER A 119 -0.857 0.661 8.557 1.00 0.00 H new ATOM 0 HB3 SER A 119 -0.716 2.054 7.504 1.00 0.00 H new ATOM 0 HG SER A 119 -2.098 1.120 6.028 1.00 0.00 H new