USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=14 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 71:sc= -1.38! USER MOD Set 1.2: A 67 GLN : amide:sc= -3.07! C(o=-4.5!,f=-5.2!) USER MOD Set 2.1: A 18 CYS SG : rot 180:sc= 0.308 USER MOD Set 2.2: A 36 TYR OH : rot -39:sc= 0.198 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 ASN : amide:sc= -1.05 X(o=-1,f=-1.4) USER MOD Single : A 49 TYR OH : rot 180:sc= -0.588 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) 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= -0.125 USER MOD Single : A 88 CYS SG : rot 180:sc= -2.73! USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.208 K(o=-0.21,f=-2.4!) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 GLN : amide:sc= -0.0185 X(o=-0.019,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= 0.35 K(o=0.35,f=-0.23) USER MOD Single : A 117 GLN : amide:sc= -0.172 K(o=-0.17,f=-1.3!) USER MOD Single : A 119 SER OG : rot -150:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 201 N ARG A 16 1.595 2.165 -4.651 1.00 0.00 N ATOM 202 CA ARG A 16 1.767 3.583 -4.381 1.00 0.00 C ATOM 203 C ARG A 16 0.593 4.378 -4.958 1.00 0.00 C ATOM 204 O ARG A 16 0.054 4.025 -6.005 1.00 0.00 O ATOM 205 CB ARG A 16 3.073 4.105 -4.984 1.00 0.00 C ATOM 206 CG ARG A 16 3.008 5.617 -5.208 1.00 0.00 C ATOM 207 CD ARG A 16 4.412 6.216 -5.313 1.00 0.00 C ATOM 208 NE ARG A 16 4.405 7.358 -6.255 1.00 0.00 N ATOM 209 CZ ARG A 16 4.252 7.238 -7.580 1.00 0.00 C ATOM 210 NH1 ARG A 16 4.091 6.026 -8.129 1.00 0.00 N ATOM 211 NH2 ARG A 16 4.259 8.329 -8.357 1.00 0.00 N ATOM 0 HA ARG A 16 1.803 3.713 -3.299 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.904 3.868 -4.320 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.267 3.602 -5.931 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.449 5.830 -6.119 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.469 6.087 -4.386 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.750 6.546 -4.331 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.116 5.457 -5.654 1.00 0.00 H new ATOM 0 HE ARG A 16 4.524 8.295 -5.871 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.085 5.195 -7.538 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.974 5.935 -9.138 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.381 9.252 -7.940 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.142 8.237 -9.366 1.00 0.00 H new ATOM 225 N ILE A 17 0.233 5.438 -4.249 1.00 0.00 N ATOM 226 CA ILE A 17 -0.866 6.286 -4.677 1.00 0.00 C ATOM 227 C ILE A 17 -0.393 7.740 -4.727 1.00 0.00 C ATOM 228 O ILE A 17 0.632 8.084 -4.141 1.00 0.00 O ATOM 229 CB ILE A 17 -2.090 6.068 -3.785 1.00 0.00 C ATOM 230 CG1 ILE A 17 -3.362 6.577 -4.465 1.00 0.00 C ATOM 231 CG2 ILE A 17 -1.884 6.702 -2.407 1.00 0.00 C ATOM 232 CD1 ILE A 17 -4.559 5.686 -4.126 1.00 0.00 C ATOM 0 H ILE A 17 0.683 5.729 -3.381 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.183 6.019 -5.685 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.214 4.996 -3.632 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.564 7.600 -4.147 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.217 6.601 -5.545 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.768 6.533 -1.793 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.016 6.252 -1.925 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.721 7.774 -2.520 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.450 6.070 -4.622 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.364 4.669 -4.467 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.717 5.683 -3.047 1.00 0.00 H new ATOM 244 N CYS A 18 -1.162 8.556 -5.433 1.00 0.00 N ATOM 245 CA CYS A 18 -0.835 9.965 -5.568 1.00 0.00 C ATOM 246 C CYS A 18 -2.139 10.748 -5.728 1.00 0.00 C ATOM 247 O CYS A 18 -3.144 10.202 -6.180 1.00 0.00 O ATOM 248 CB CYS A 18 0.127 10.213 -6.731 1.00 0.00 C ATOM 249 SG CYS A 18 -0.672 9.756 -8.313 1.00 0.00 S ATOM 0 H CYS A 18 -2.012 8.268 -5.918 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.315 10.308 -4.673 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.421 11.262 -6.753 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.037 9.629 -6.592 1.00 0.00 H new ATOM 0 HG CYS A 18 0.153 9.973 -9.294 1.00 0.00 H new ATOM 255 N GLY A 19 -2.081 12.016 -5.349 1.00 0.00 N ATOM 256 CA GLY A 19 -3.245 12.880 -5.445 1.00 0.00 C ATOM 257 C GLY A 19 -3.191 13.992 -4.395 1.00 0.00 C ATOM 258 O GLY A 19 -2.621 13.809 -3.320 1.00 0.00 O ATOM 0 H GLY A 19 -1.246 12.466 -4.975 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.296 13.318 -6.442 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.152 12.291 -5.309 1.00 0.00 H new ATOM 262 N PHE A 20 -3.791 15.121 -4.743 1.00 0.00 N ATOM 263 CA PHE A 20 -3.819 16.262 -3.845 1.00 0.00 C ATOM 264 C PHE A 20 -4.886 16.083 -2.763 1.00 0.00 C ATOM 265 O PHE A 20 -6.067 15.930 -3.071 1.00 0.00 O ATOM 266 CB PHE A 20 -4.167 17.489 -4.690 1.00 0.00 C ATOM 267 CG PHE A 20 -3.178 17.764 -5.824 1.00 0.00 C ATOM 268 CD1 PHE A 20 -3.352 17.172 -7.036 1.00 0.00 C ATOM 269 CD2 PHE A 20 -2.126 18.601 -5.621 1.00 0.00 C ATOM 270 CE1 PHE A 20 -2.434 17.427 -8.089 1.00 0.00 C ATOM 271 CE2 PHE A 20 -1.208 18.856 -6.674 1.00 0.00 C ATOM 272 CZ PHE A 20 -1.382 18.264 -7.886 1.00 0.00 C ATOM 0 H PHE A 20 -4.262 15.270 -5.636 1.00 0.00 H new ATOM 0 HA PHE A 20 -2.853 16.369 -3.351 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.162 17.355 -5.114 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.212 18.364 -4.041 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -4.188 16.508 -7.198 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -1.989 19.072 -4.659 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -2.571 16.956 -9.051 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.372 19.520 -6.512 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.684 18.459 -8.687 1.00 0.00 H new ATOM 282 N LEU A 21 -4.432 16.107 -1.519 1.00 0.00 N ATOM 283 CA LEU A 21 -5.333 15.950 -0.390 1.00 0.00 C ATOM 284 C LEU A 21 -5.391 17.260 0.398 1.00 0.00 C ATOM 285 O LEU A 21 -4.514 18.111 0.260 1.00 0.00 O ATOM 286 CB LEU A 21 -4.926 14.741 0.456 1.00 0.00 C ATOM 287 CG LEU A 21 -4.853 13.402 -0.280 1.00 0.00 C ATOM 288 CD1 LEU A 21 -4.239 12.320 0.611 1.00 0.00 C ATOM 289 CD2 LEU A 21 -6.228 12.993 -0.812 1.00 0.00 C ATOM 0 H LEU A 21 -3.451 16.233 -1.268 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.345 15.742 -0.737 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.951 14.944 0.898 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.635 14.643 1.278 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.196 13.521 -1.142 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.199 11.378 0.064 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.230 12.616 0.900 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.850 12.195 1.505 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.148 12.038 -1.331 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.926 12.897 0.020 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.591 13.753 -1.504 1.00 0.00 H new ATOM 301 N ASP A 22 -6.434 17.381 1.206 1.00 0.00 N ATOM 302 CA ASP A 22 -6.618 18.573 2.016 1.00 0.00 C ATOM 303 C ASP A 22 -6.433 18.216 3.492 1.00 0.00 C ATOM 304 O ASP A 22 -7.382 17.804 4.158 1.00 0.00 O ATOM 305 CB ASP A 22 -8.026 19.146 1.841 1.00 0.00 C ATOM 306 CG ASP A 22 -8.632 18.959 0.449 1.00 0.00 C ATOM 307 OD1 ASP A 22 -8.644 17.797 -0.013 1.00 0.00 O ATOM 308 OD2 ASP A 22 -9.070 19.981 -0.122 1.00 0.00 O ATOM 0 H ASP A 22 -7.160 16.673 1.317 1.00 0.00 H new ATOM 0 HA ASP A 22 -5.885 19.314 1.697 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.685 18.680 2.573 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -7.999 20.212 2.069 1.00 0.00 H new ATOM 313 N ILE A 23 -5.206 18.387 3.960 1.00 0.00 N ATOM 314 CA ILE A 23 -4.884 18.087 5.345 1.00 0.00 C ATOM 315 C ILE A 23 -5.108 19.337 6.198 1.00 0.00 C ATOM 316 O ILE A 23 -4.624 20.417 5.862 1.00 0.00 O ATOM 317 CB ILE A 23 -3.471 17.512 5.455 1.00 0.00 C ATOM 318 CG1 ILE A 23 -3.138 17.147 6.903 1.00 0.00 C ATOM 319 CG2 ILE A 23 -2.441 18.471 4.855 1.00 0.00 C ATOM 320 CD1 ILE A 23 -1.892 16.262 6.973 1.00 0.00 C ATOM 0 H ILE A 23 -4.422 18.730 3.405 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.548 17.314 5.731 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.431 16.591 4.874 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.976 18.056 7.483 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.983 16.627 7.354 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.445 18.038 4.946 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.669 18.638 3.802 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.474 19.421 5.389 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.678 16.017 8.013 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.066 15.343 6.413 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.043 16.794 6.543 1.00 0.00 H new ATOM 332 N GLU A 24 -5.841 19.150 7.285 1.00 0.00 N ATOM 333 CA GLU A 24 -6.135 20.249 8.189 1.00 0.00 C ATOM 334 C GLU A 24 -4.914 20.563 9.056 1.00 0.00 C ATOM 335 O GLU A 24 -4.319 19.663 9.646 1.00 0.00 O ATOM 336 CB GLU A 24 -7.357 19.936 9.055 1.00 0.00 C ATOM 337 CG GLU A 24 -8.075 21.220 9.475 1.00 0.00 C ATOM 338 CD GLU A 24 -8.811 21.027 10.803 1.00 0.00 C ATOM 339 OE1 GLU A 24 -9.301 19.898 11.021 1.00 0.00 O ATOM 340 OE2 GLU A 24 -8.866 22.013 11.569 1.00 0.00 O ATOM 0 H GLU A 24 -6.241 18.253 7.561 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.370 21.131 7.593 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.044 19.295 8.503 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.047 19.382 9.941 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.352 22.031 9.570 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.784 21.514 8.701 1.00 0.00 H new ATOM 442 N PHE A 32 -7.064 24.009 5.283 1.00 0.00 N ATOM 443 CA PHE A 32 -6.424 22.791 4.818 1.00 0.00 C ATOM 444 C PHE A 32 -5.259 23.108 3.878 1.00 0.00 C ATOM 445 O PHE A 32 -5.353 24.014 3.051 1.00 0.00 O ATOM 446 CB PHE A 32 -7.482 21.995 4.050 1.00 0.00 C ATOM 447 CG PHE A 32 -8.783 21.781 4.825 1.00 0.00 C ATOM 448 CD1 PHE A 32 -9.665 22.806 4.971 1.00 0.00 C ATOM 449 CD2 PHE A 32 -9.059 20.565 5.369 1.00 0.00 C ATOM 450 CE1 PHE A 32 -10.873 22.607 5.690 1.00 0.00 C ATOM 451 CE2 PHE A 32 -10.267 20.366 6.088 1.00 0.00 C ATOM 452 CZ PHE A 32 -11.148 21.391 6.234 1.00 0.00 C ATOM 0 HA PHE A 32 -6.029 22.231 5.666 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -7.707 22.514 3.118 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.067 21.024 3.781 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.446 23.772 4.540 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.359 19.751 5.254 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -11.573 23.421 5.805 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -10.486 19.400 6.519 1.00 0.00 H new ATOM 0 HZ PHE A 32 -12.066 21.240 6.782 1.00 0.00 H new ATOM 462 N LEU A 33 -4.188 22.343 4.036 1.00 0.00 N ATOM 463 CA LEU A 33 -3.007 22.531 3.211 1.00 0.00 C ATOM 464 C LEU A 33 -3.095 21.619 1.986 1.00 0.00 C ATOM 465 O LEU A 33 -2.822 20.423 2.078 1.00 0.00 O ATOM 466 CB LEU A 33 -1.737 22.327 4.040 1.00 0.00 C ATOM 467 CG LEU A 33 -1.509 23.328 5.175 1.00 0.00 C ATOM 468 CD1 LEU A 33 -0.020 23.632 5.347 1.00 0.00 C ATOM 469 CD2 LEU A 33 -2.332 24.599 4.959 1.00 0.00 C ATOM 0 H LEU A 33 -4.114 21.592 4.723 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.959 23.556 2.843 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.762 21.324 4.466 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.879 22.367 3.369 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.855 22.875 6.104 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.114 24.346 6.160 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.515 22.711 5.581 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.374 24.056 4.423 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.151 25.293 5.780 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.040 25.066 4.018 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.391 24.345 4.925 1.00 0.00 H new ATOM 481 N ARG A 34 -3.476 22.218 0.868 1.00 0.00 N ATOM 482 CA ARG A 34 -3.603 21.475 -0.374 1.00 0.00 C ATOM 483 C ARG A 34 -2.220 21.125 -0.927 1.00 0.00 C ATOM 484 O ARG A 34 -1.538 21.980 -1.490 1.00 0.00 O ATOM 485 CB ARG A 34 -4.375 22.280 -1.421 1.00 0.00 C ATOM 486 CG ARG A 34 -4.591 21.458 -2.694 1.00 0.00 C ATOM 487 CD ARG A 34 -4.176 22.251 -3.935 1.00 0.00 C ATOM 488 NE ARG A 34 -4.254 21.388 -5.136 1.00 0.00 N ATOM 489 CZ ARG A 34 -4.035 21.819 -6.386 1.00 0.00 C ATOM 490 NH1 ARG A 34 -3.725 23.104 -6.607 1.00 0.00 N ATOM 491 NH2 ARG A 34 -4.128 20.966 -7.414 1.00 0.00 N ATOM 0 H ARG A 34 -3.701 23.210 0.796 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.154 20.560 -0.158 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.339 22.585 -1.013 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.827 23.191 -1.661 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.014 20.535 -2.638 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.640 21.173 -2.774 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.825 23.118 -4.057 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.161 22.628 -3.813 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.489 20.404 -5.004 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.656 23.754 -5.824 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.558 23.432 -7.558 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.365 19.988 -7.246 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -3.961 21.294 -8.365 1.00 0.00 H new ATOM 505 N ARG A 35 -1.847 19.866 -0.747 1.00 0.00 N ATOM 506 CA ARG A 35 -0.558 19.393 -1.221 1.00 0.00 C ATOM 507 C ARG A 35 -0.715 18.044 -1.927 1.00 0.00 C ATOM 508 O ARG A 35 -1.674 17.316 -1.677 1.00 0.00 O ATOM 509 CB ARG A 35 0.433 19.243 -0.064 1.00 0.00 C ATOM 510 CG ARG A 35 0.555 20.548 0.725 1.00 0.00 C ATOM 511 CD ARG A 35 1.298 21.611 -0.086 1.00 0.00 C ATOM 512 NE ARG A 35 1.478 22.834 0.728 1.00 0.00 N ATOM 513 CZ ARG A 35 0.569 23.814 0.822 1.00 0.00 C ATOM 514 NH1 ARG A 35 -0.589 23.721 0.154 1.00 0.00 N ATOM 515 NH2 ARG A 35 0.818 24.888 1.585 1.00 0.00 N ATOM 0 H ARG A 35 -2.415 19.160 -0.279 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.171 20.132 -1.923 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.105 18.442 0.599 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.410 18.956 -0.452 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.438 20.913 0.987 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.083 20.364 1.660 1.00 0.00 H new ATOM 0 HD2 ARG A 35 2.269 21.228 -0.401 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.739 21.846 -0.992 1.00 0.00 H new ATOM 0 HE ARG A 35 2.348 22.937 1.250 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.779 22.904 -0.426 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.281 24.467 0.226 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.699 24.959 2.094 1.00 0.00 H new ATOM 0 HH22 ARG A 35 0.126 25.634 1.657 1.00 0.00 H new ATOM 529 N TYR A 36 0.243 17.752 -2.795 1.00 0.00 N ATOM 530 CA TYR A 36 0.223 16.505 -3.539 1.00 0.00 C ATOM 531 C TYR A 36 0.860 15.373 -2.729 1.00 0.00 C ATOM 532 O TYR A 36 2.083 15.287 -2.633 1.00 0.00 O ATOM 533 CB TYR A 36 1.061 16.750 -4.796 1.00 0.00 C ATOM 534 CG TYR A 36 0.929 15.654 -5.855 1.00 0.00 C ATOM 535 CD1 TYR A 36 -0.296 15.402 -6.439 1.00 0.00 C ATOM 536 CD2 TYR A 36 2.035 14.916 -6.226 1.00 0.00 C ATOM 537 CE1 TYR A 36 -0.419 14.370 -7.436 1.00 0.00 C ATOM 538 CE2 TYR A 36 1.912 13.884 -7.223 1.00 0.00 C ATOM 539 CZ TYR A 36 0.690 13.662 -7.779 1.00 0.00 C ATOM 540 OH TYR A 36 0.573 12.688 -8.720 1.00 0.00 O ATOM 0 H TYR A 36 1.038 18.358 -2.999 1.00 0.00 H new ATOM 0 HA TYR A 36 -0.801 16.212 -3.770 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.768 17.703 -5.236 1.00 0.00 H new ATOM 0 HB3 TYR A 36 2.109 16.840 -4.510 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.162 15.978 -6.148 1.00 0.00 H new ATOM 0 HD2 TYR A 36 2.993 15.113 -5.768 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.371 14.163 -7.901 1.00 0.00 H new ATOM 0 HE2 TYR A 36 2.770 13.300 -7.522 1.00 0.00 H new ATOM 0 HH TYR A 36 -0.274 12.211 -8.594 1.00 0.00 H new ATOM 550 N PHE A 37 0.002 14.534 -2.168 1.00 0.00 N ATOM 551 CA PHE A 37 0.465 13.412 -1.370 1.00 0.00 C ATOM 552 C PHE A 37 0.863 12.233 -2.260 1.00 0.00 C ATOM 553 O PHE A 37 0.227 11.980 -3.282 1.00 0.00 O ATOM 554 CB PHE A 37 -0.701 12.988 -0.475 1.00 0.00 C ATOM 555 CG PHE A 37 -0.900 13.881 0.752 1.00 0.00 C ATOM 556 CD1 PHE A 37 -0.960 15.232 0.607 1.00 0.00 C ATOM 557 CD2 PHE A 37 -1.016 13.324 1.987 1.00 0.00 C ATOM 558 CE1 PHE A 37 -1.145 16.060 1.746 1.00 0.00 C ATOM 559 CE2 PHE A 37 -1.201 14.152 3.125 1.00 0.00 C ATOM 560 CZ PHE A 37 -1.261 15.503 2.981 1.00 0.00 C ATOM 0 H PHE A 37 -1.012 14.609 -2.250 1.00 0.00 H new ATOM 0 HA PHE A 37 1.339 13.705 -0.788 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.618 12.989 -1.065 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.537 11.963 -0.143 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.867 15.675 -0.374 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.967 12.251 2.102 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.194 17.133 1.631 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.294 13.709 4.106 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.401 16.133 3.847 1.00 0.00 H new ATOM 570 N ILE A 38 1.914 11.544 -1.840 1.00 0.00 N ATOM 571 CA ILE A 38 2.404 10.398 -2.586 1.00 0.00 C ATOM 572 C ILE A 38 2.741 9.266 -1.613 1.00 0.00 C ATOM 573 O ILE A 38 3.727 9.344 -0.882 1.00 0.00 O ATOM 574 CB ILE A 38 3.574 10.804 -3.485 1.00 0.00 C ATOM 575 CG1 ILE A 38 3.090 11.639 -4.672 1.00 0.00 C ATOM 576 CG2 ILE A 38 4.373 9.579 -3.933 1.00 0.00 C ATOM 577 CD1 ILE A 38 4.251 12.393 -5.323 1.00 0.00 C ATOM 0 H ILE A 38 2.440 11.758 -0.992 1.00 0.00 H new ATOM 0 HA ILE A 38 1.631 10.023 -3.257 1.00 0.00 H new ATOM 0 HB ILE A 38 4.249 11.432 -2.904 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.615 10.990 -5.408 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.333 12.349 -4.337 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.198 9.896 -4.571 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.768 9.062 -3.058 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.723 8.904 -4.490 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.879 12.978 -6.164 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.708 13.059 -4.591 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.994 11.680 -5.678 1.00 0.00 H new ATOM 589 N LEU A 39 1.902 8.241 -1.634 1.00 0.00 N ATOM 590 CA LEU A 39 2.098 7.095 -0.763 1.00 0.00 C ATOM 591 C LEU A 39 3.209 6.211 -1.332 1.00 0.00 C ATOM 592 O LEU A 39 2.979 5.445 -2.267 1.00 0.00 O ATOM 593 CB LEU A 39 0.776 6.357 -0.543 1.00 0.00 C ATOM 594 CG LEU A 39 0.749 5.362 0.619 1.00 0.00 C ATOM 595 CD1 LEU A 39 0.799 6.088 1.965 1.00 0.00 C ATOM 596 CD2 LEU A 39 -0.461 4.430 0.515 1.00 0.00 C ATOM 0 H LEU A 39 1.084 8.180 -2.241 1.00 0.00 H new ATOM 0 HA LEU A 39 2.424 7.419 0.225 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.008 7.097 -0.380 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.524 5.823 -1.459 1.00 0.00 H new ATOM 0 HG LEU A 39 1.642 4.740 0.556 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.779 5.357 2.774 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.716 6.674 2.029 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.062 6.751 2.053 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.456 3.733 1.353 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.377 5.020 0.539 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.412 3.873 -0.421 1.00 0.00 H new ATOM 608 N ASP A 40 4.389 6.346 -0.745 1.00 0.00 N ATOM 609 CA ASP A 40 5.536 5.569 -1.182 1.00 0.00 C ATOM 610 C ASP A 40 5.718 4.368 -0.251 1.00 0.00 C ATOM 611 O ASP A 40 5.885 4.534 0.956 1.00 0.00 O ATOM 612 CB ASP A 40 6.817 6.403 -1.134 1.00 0.00 C ATOM 613 CG ASP A 40 8.015 5.792 -1.865 1.00 0.00 C ATOM 614 OD1 ASP A 40 7.895 4.614 -2.264 1.00 0.00 O ATOM 615 OD2 ASP A 40 9.023 6.518 -2.007 1.00 0.00 O ATOM 0 H ASP A 40 4.575 6.982 0.030 1.00 0.00 H new ATOM 0 HA ASP A 40 5.354 5.247 -2.207 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.610 7.384 -1.563 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.090 6.562 -0.091 1.00 0.00 H new ATOM 620 N THR A 41 5.678 3.186 -0.848 1.00 0.00 N ATOM 621 CA THR A 41 5.836 1.958 -0.088 1.00 0.00 C ATOM 622 C THR A 41 7.320 1.637 0.104 1.00 0.00 C ATOM 623 O THR A 41 7.677 0.817 0.948 1.00 0.00 O ATOM 624 CB THR A 41 5.064 0.852 -0.809 1.00 0.00 C ATOM 625 OG1 THR A 41 5.907 0.495 -1.901 1.00 0.00 O ATOM 626 CG2 THR A 41 3.788 1.369 -1.477 1.00 0.00 C ATOM 0 H THR A 41 5.538 3.053 -1.850 1.00 0.00 H new ATOM 0 HA THR A 41 5.424 2.059 0.916 1.00 0.00 H new ATOM 0 HB THR A 41 4.809 0.065 -0.099 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.483 -0.219 -2.422 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.278 0.544 -1.974 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.131 1.800 -0.722 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.045 2.132 -2.211 1.00 0.00 H new ATOM 634 N GLN A 42 8.144 2.300 -0.694 1.00 0.00 N ATOM 635 CA GLN A 42 9.581 2.095 -0.623 1.00 0.00 C ATOM 636 C GLN A 42 10.181 2.934 0.507 1.00 0.00 C ATOM 637 O GLN A 42 10.955 2.426 1.318 1.00 0.00 O ATOM 638 CB GLN A 42 10.248 2.421 -1.961 1.00 0.00 C ATOM 639 CG GLN A 42 11.707 2.835 -1.760 1.00 0.00 C ATOM 640 CD GLN A 42 12.575 2.373 -2.932 1.00 0.00 C ATOM 641 OE1 GLN A 42 13.406 1.487 -2.812 1.00 0.00 O ATOM 642 NE2 GLN A 42 12.336 3.019 -4.070 1.00 0.00 N ATOM 0 H GLN A 42 7.844 2.980 -1.393 1.00 0.00 H new ATOM 0 HA GLN A 42 9.768 1.043 -0.408 1.00 0.00 H new ATOM 0 HB2 GLN A 42 10.200 1.552 -2.617 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.703 3.225 -2.457 1.00 0.00 H new ATOM 0 HG2 GLN A 42 11.771 3.919 -1.661 1.00 0.00 H new ATOM 0 HG3 GLN A 42 12.086 2.407 -0.832 1.00 0.00 H new ATOM 0 HE21 GLN A 42 11.626 3.751 -4.102 1.00 0.00 H new ATOM 0 HE22 GLN A 42 12.863 2.783 -4.911 1.00 0.00 H new ATOM 651 N ALA A 43 9.801 4.203 0.525 1.00 0.00 N ATOM 652 CA ALA A 43 10.292 5.116 1.543 1.00 0.00 C ATOM 653 C ALA A 43 9.611 4.802 2.876 1.00 0.00 C ATOM 654 O ALA A 43 10.126 5.148 3.938 1.00 0.00 O ATOM 655 CB ALA A 43 10.054 6.559 1.092 1.00 0.00 C ATOM 0 H ALA A 43 9.159 4.620 -0.149 1.00 0.00 H new ATOM 0 HA ALA A 43 11.366 4.991 1.685 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.422 7.244 1.856 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.583 6.740 0.156 1.00 0.00 H new ATOM 0 HB3 ALA A 43 8.987 6.722 0.942 1.00 0.00 H new ATOM 661 N ASN A 44 8.462 4.149 2.778 1.00 0.00 N ATOM 662 CA ASN A 44 7.705 3.784 3.963 1.00 0.00 C ATOM 663 C ASN A 44 7.305 5.053 4.718 1.00 0.00 C ATOM 664 O ASN A 44 7.124 5.024 5.934 1.00 0.00 O ATOM 665 CB ASN A 44 8.541 2.916 4.905 1.00 0.00 C ATOM 666 CG ASN A 44 7.678 2.336 6.027 1.00 0.00 C ATOM 667 OD1 ASN A 44 6.686 1.664 5.798 1.00 0.00 O ATOM 668 ND2 ASN A 44 8.109 2.633 7.250 1.00 0.00 N ATOM 0 H ASN A 44 8.037 3.863 1.896 1.00 0.00 H new ATOM 0 HA ASN A 44 6.826 3.224 3.643 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.005 2.106 4.343 1.00 0.00 H new ATOM 0 HB3 ASN A 44 9.348 3.511 5.333 1.00 0.00 H new ATOM 0 HD21 ASN A 44 7.601 2.293 8.066 1.00 0.00 H new ATOM 0 HD22 ASN A 44 8.948 3.201 7.371 1.00 0.00 H new ATOM 675 N CYS A 45 7.179 6.136 3.966 1.00 0.00 N ATOM 676 CA CYS A 45 6.804 7.413 4.549 1.00 0.00 C ATOM 677 C CYS A 45 5.970 8.183 3.523 1.00 0.00 C ATOM 678 O CYS A 45 6.210 8.083 2.321 1.00 0.00 O ATOM 679 CB CYS A 45 8.029 8.209 5.002 1.00 0.00 C ATOM 680 SG CYS A 45 9.248 7.091 5.785 1.00 0.00 S ATOM 0 H CYS A 45 7.330 6.156 2.957 1.00 0.00 H new ATOM 0 HA CYS A 45 6.209 7.245 5.447 1.00 0.00 H new ATOM 0 HB2 CYS A 45 8.482 8.713 4.148 1.00 0.00 H new ATOM 0 HB3 CYS A 45 7.729 8.984 5.707 1.00 0.00 H new ATOM 0 HG CYS A 45 9.796 6.341 4.875 1.00 0.00 H new ATOM 686 N LEU A 46 5.006 8.935 4.036 1.00 0.00 N ATOM 687 CA LEU A 46 4.135 9.721 3.179 1.00 0.00 C ATOM 688 C LEU A 46 4.709 11.133 3.035 1.00 0.00 C ATOM 689 O LEU A 46 5.003 11.792 4.031 1.00 0.00 O ATOM 690 CB LEU A 46 2.699 9.692 3.705 1.00 0.00 C ATOM 691 CG LEU A 46 1.639 10.315 2.794 1.00 0.00 C ATOM 692 CD1 LEU A 46 2.004 11.756 2.433 1.00 0.00 C ATOM 693 CD2 LEU A 46 1.410 9.453 1.551 1.00 0.00 C ATOM 0 H LEU A 46 4.810 9.016 5.034 1.00 0.00 H new ATOM 0 HA LEU A 46 4.093 9.289 2.179 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.423 8.655 3.894 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.674 10.208 4.665 1.00 0.00 H new ATOM 0 HG LEU A 46 0.696 10.349 3.340 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.234 12.175 1.785 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.076 12.352 3.343 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.962 11.769 1.914 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.652 9.918 0.920 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.342 9.364 0.993 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.072 8.462 1.853 1.00 0.00 H new ATOM 705 N LEU A 47 4.851 11.554 1.787 1.00 0.00 N ATOM 706 CA LEU A 47 5.383 12.875 1.499 1.00 0.00 C ATOM 707 C LEU A 47 4.396 13.636 0.612 1.00 0.00 C ATOM 708 O LEU A 47 3.997 13.145 -0.442 1.00 0.00 O ATOM 709 CB LEU A 47 6.789 12.768 0.904 1.00 0.00 C ATOM 710 CG LEU A 47 7.749 11.815 1.619 1.00 0.00 C ATOM 711 CD1 LEU A 47 8.694 11.139 0.623 1.00 0.00 C ATOM 712 CD2 LEU A 47 8.511 12.538 2.731 1.00 0.00 C ATOM 0 H LEU A 47 4.607 11.004 0.964 1.00 0.00 H new ATOM 0 HA LEU A 47 5.494 13.450 2.418 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.699 12.450 -0.135 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.235 13.763 0.895 1.00 0.00 H new ATOM 0 HG LEU A 47 7.161 11.027 2.090 1.00 0.00 H new ATOM 0 HD11 LEU A 47 9.366 10.467 1.157 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.112 10.570 -0.102 1.00 0.00 H new ATOM 0 HD13 LEU A 47 9.278 11.898 0.103 1.00 0.00 H new ATOM 0 HD21 LEU A 47 9.186 11.838 3.223 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.087 13.359 2.303 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.803 12.933 3.460 1.00 0.00 H new ATOM 724 N TRP A 48 4.031 14.824 1.072 1.00 0.00 N ATOM 725 CA TRP A 48 3.098 15.658 0.334 1.00 0.00 C ATOM 726 C TRP A 48 3.832 16.935 -0.080 1.00 0.00 C ATOM 727 O TRP A 48 4.331 17.671 0.769 1.00 0.00 O ATOM 728 CB TRP A 48 1.838 15.932 1.157 1.00 0.00 C ATOM 729 CG TRP A 48 2.105 16.642 2.486 1.00 0.00 C ATOM 730 CD1 TRP A 48 2.389 17.935 2.688 1.00 0.00 C ATOM 731 CD2 TRP A 48 2.100 16.040 3.798 1.00 0.00 C ATOM 732 NE1 TRP A 48 2.568 18.211 4.029 1.00 0.00 N ATOM 733 CE2 TRP A 48 2.386 17.021 4.725 1.00 0.00 C ATOM 734 CE3 TRP A 48 1.862 14.710 4.188 1.00 0.00 C ATOM 735 CZ2 TRP A 48 2.461 16.777 6.101 1.00 0.00 C ATOM 736 CZ3 TRP A 48 1.940 14.483 5.567 1.00 0.00 C ATOM 737 CH2 TRP A 48 2.227 15.460 6.513 1.00 0.00 C ATOM 0 H TRP A 48 4.365 15.229 1.947 1.00 0.00 H new ATOM 0 HA TRP A 48 2.752 15.148 -0.565 1.00 0.00 H new ATOM 0 HB2 TRP A 48 1.154 16.539 0.564 1.00 0.00 H new ATOM 0 HB3 TRP A 48 1.334 14.986 1.357 1.00 0.00 H new ATOM 0 HD1 TRP A 48 2.468 18.670 1.901 1.00 0.00 H new ATOM 0 HE1 TRP A 48 2.792 19.120 4.434 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.637 13.926 3.480 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 2.687 17.563 6.807 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.765 13.478 5.921 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.269 15.204 7.561 1.00 0.00 H new ATOM 748 N TYR A 49 3.873 17.159 -1.385 1.00 0.00 N ATOM 749 CA TYR A 49 4.537 18.335 -1.922 1.00 0.00 C ATOM 750 C TYR A 49 3.523 19.309 -2.526 1.00 0.00 C ATOM 751 O TYR A 49 2.454 18.899 -2.976 1.00 0.00 O ATOM 752 CB TYR A 49 5.461 17.828 -3.031 1.00 0.00 C ATOM 753 CG TYR A 49 6.373 16.676 -2.602 1.00 0.00 C ATOM 754 CD1 TYR A 49 5.851 15.411 -2.428 1.00 0.00 C ATOM 755 CD2 TYR A 49 7.718 16.904 -2.389 1.00 0.00 C ATOM 756 CE1 TYR A 49 6.709 14.327 -2.025 1.00 0.00 C ATOM 757 CE2 TYR A 49 8.576 15.820 -1.986 1.00 0.00 C ATOM 758 CZ TYR A 49 8.029 14.585 -1.824 1.00 0.00 C ATOM 759 OH TYR A 49 8.840 13.562 -1.443 1.00 0.00 O ATOM 0 H TYR A 49 3.457 16.546 -2.086 1.00 0.00 H new ATOM 0 HA TYR A 49 5.077 18.863 -1.136 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.854 17.502 -3.875 1.00 0.00 H new ATOM 0 HB3 TYR A 49 6.078 18.655 -3.382 1.00 0.00 H new ATOM 0 HD1 TYR A 49 4.799 15.234 -2.594 1.00 0.00 H new ATOM 0 HD2 TYR A 49 8.126 17.895 -2.525 1.00 0.00 H new ATOM 0 HE1 TYR A 49 6.313 13.332 -1.886 1.00 0.00 H new ATOM 0 HE2 TYR A 49 9.630 15.984 -1.816 1.00 0.00 H new ATOM 0 HH TYR A 49 9.756 13.893 -1.338 1.00 0.00 H new ATOM 769 N MET A 50 3.895 20.581 -2.516 1.00 0.00 N ATOM 770 CA MET A 50 3.031 21.617 -3.057 1.00 0.00 C ATOM 771 C MET A 50 2.471 21.207 -4.421 1.00 0.00 C ATOM 772 O MET A 50 1.348 21.569 -4.769 1.00 0.00 O ATOM 773 CB MET A 50 3.824 22.918 -3.201 1.00 0.00 C ATOM 774 CG MET A 50 4.304 23.421 -1.839 1.00 0.00 C ATOM 775 SD MET A 50 4.417 25.202 -1.850 1.00 0.00 S ATOM 776 CE MET A 50 3.059 25.606 -0.765 1.00 0.00 C ATOM 0 H MET A 50 4.782 20.917 -2.142 1.00 0.00 H new ATOM 0 HA MET A 50 2.196 21.763 -2.372 1.00 0.00 H new ATOM 0 HB2 MET A 50 4.681 22.755 -3.855 1.00 0.00 H new ATOM 0 HB3 MET A 50 3.201 23.677 -3.674 1.00 0.00 H new ATOM 0 HG2 MET A 50 3.615 23.097 -1.059 1.00 0.00 H new ATOM 0 HG3 MET A 50 5.277 22.988 -1.605 1.00 0.00 H new ATOM 0 HE1 MET A 50 2.986 26.689 -0.661 1.00 0.00 H new ATOM 0 HE2 MET A 50 2.130 25.219 -1.185 1.00 0.00 H new ATOM 0 HE3 MET A 50 3.230 25.158 0.214 1.00 0.00 H new ATOM 786 N ASP A 51 3.279 20.457 -5.156 1.00 0.00 N ATOM 787 CA ASP A 51 2.877 19.994 -6.473 1.00 0.00 C ATOM 788 C ASP A 51 3.742 18.796 -6.873 1.00 0.00 C ATOM 789 O ASP A 51 4.675 18.433 -6.158 1.00 0.00 O ATOM 790 CB ASP A 51 3.070 21.088 -7.524 1.00 0.00 C ATOM 791 CG ASP A 51 1.781 21.761 -8.001 1.00 0.00 C ATOM 792 OD1 ASP A 51 0.737 21.074 -7.970 1.00 0.00 O ATOM 793 OD2 ASP A 51 1.869 22.947 -8.386 1.00 0.00 O ATOM 0 H ASP A 51 4.210 20.159 -4.864 1.00 0.00 H new ATOM 0 HA ASP A 51 1.823 19.720 -6.427 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.731 21.852 -7.114 1.00 0.00 H new ATOM 0 HB3 ASP A 51 3.578 20.657 -8.387 1.00 0.00 H new ATOM 936 N VAL A 63 6.576 19.867 2.065 1.00 0.00 N ATOM 937 CA VAL A 63 6.224 20.773 3.145 1.00 0.00 C ATOM 938 C VAL A 63 6.110 19.985 4.451 1.00 0.00 C ATOM 939 O VAL A 63 6.270 20.544 5.534 1.00 0.00 O ATOM 940 CB VAL A 63 4.944 21.535 2.793 1.00 0.00 C ATOM 941 CG1 VAL A 63 5.162 22.440 1.579 1.00 0.00 C ATOM 942 CG2 VAL A 63 3.780 20.571 2.556 1.00 0.00 C ATOM 0 HA VAL A 63 7.004 21.521 3.284 1.00 0.00 H new ATOM 0 HB VAL A 63 4.687 22.169 3.642 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.238 22.970 1.350 1.00 0.00 H new ATOM 0 HG12 VAL A 63 5.949 23.161 1.800 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.455 21.834 0.722 1.00 0.00 H new ATOM 0 HG21 VAL A 63 2.883 21.138 2.308 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.025 19.900 1.732 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.602 19.987 3.459 1.00 0.00 H new ATOM 952 N GLY A 64 5.833 18.697 4.305 1.00 0.00 N ATOM 953 CA GLY A 64 5.696 17.826 5.460 1.00 0.00 C ATOM 954 C GLY A 64 5.945 16.365 5.077 1.00 0.00 C ATOM 955 O GLY A 64 5.991 16.029 3.895 1.00 0.00 O ATOM 0 H GLY A 64 5.700 18.236 3.405 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.402 18.128 6.234 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.696 17.930 5.882 1.00 0.00 H new ATOM 959 N SER A 65 6.099 15.537 6.100 1.00 0.00 N ATOM 960 CA SER A 65 6.342 14.121 5.885 1.00 0.00 C ATOM 961 C SER A 65 5.647 13.300 6.974 1.00 0.00 C ATOM 962 O SER A 65 5.440 13.785 8.085 1.00 0.00 O ATOM 963 CB SER A 65 7.841 13.816 5.866 1.00 0.00 C ATOM 964 OG SER A 65 8.499 14.300 7.033 1.00 0.00 O ATOM 0 H SER A 65 6.060 15.820 7.079 1.00 0.00 H new ATOM 0 HA SER A 65 5.931 13.847 4.913 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.991 12.739 5.786 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.292 14.267 4.982 1.00 0.00 H new ATOM 0 HG SER A 65 9.454 14.084 6.984 1.00 0.00 H new ATOM 970 N LEU A 66 5.307 12.070 6.617 1.00 0.00 N ATOM 971 CA LEU A 66 4.640 11.178 7.550 1.00 0.00 C ATOM 972 C LEU A 66 5.318 9.807 7.511 1.00 0.00 C ATOM 973 O LEU A 66 5.567 9.264 6.436 1.00 0.00 O ATOM 974 CB LEU A 66 3.138 11.129 7.263 1.00 0.00 C ATOM 975 CG LEU A 66 2.223 11.587 8.401 1.00 0.00 C ATOM 976 CD1 LEU A 66 0.752 11.507 7.987 1.00 0.00 C ATOM 977 CD2 LEU A 66 2.501 10.796 9.681 1.00 0.00 C ATOM 0 H LEU A 66 5.481 11.670 5.695 1.00 0.00 H new ATOM 0 HA LEU A 66 4.735 11.552 8.569 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.935 11.747 6.389 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.872 10.106 6.999 1.00 0.00 H new ATOM 0 HG LEU A 66 2.442 12.633 8.615 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.123 11.838 8.813 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.582 12.148 7.122 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.502 10.478 7.730 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.837 11.141 10.474 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.327 9.736 9.498 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.537 10.947 9.984 1.00 0.00 H new ATOM 989 N GLN A 67 5.598 9.287 8.697 1.00 0.00 N ATOM 990 CA GLN A 67 6.243 7.990 8.812 1.00 0.00 C ATOM 991 C GLN A 67 5.193 6.884 8.932 1.00 0.00 C ATOM 992 O GLN A 67 4.409 6.868 9.880 1.00 0.00 O ATOM 993 CB GLN A 67 7.209 7.961 9.999 1.00 0.00 C ATOM 994 CG GLN A 67 7.949 9.293 10.135 1.00 0.00 C ATOM 995 CD GLN A 67 8.287 9.876 8.762 1.00 0.00 C ATOM 996 OE1 GLN A 67 7.720 10.862 8.321 1.00 0.00 O ATOM 997 NE2 GLN A 67 9.240 9.214 8.113 1.00 0.00 N ATOM 0 H GLN A 67 5.390 9.740 9.587 1.00 0.00 H new ATOM 0 HA GLN A 67 6.826 7.814 7.908 1.00 0.00 H new ATOM 0 HB2 GLN A 67 6.658 7.751 10.916 1.00 0.00 H new ATOM 0 HB3 GLN A 67 7.928 7.153 9.868 1.00 0.00 H new ATOM 0 HG2 GLN A 67 7.334 9.999 10.692 1.00 0.00 H new ATOM 0 HG3 GLN A 67 8.865 9.147 10.707 1.00 0.00 H new ATOM 0 HE21 GLN A 67 9.674 8.396 8.540 1.00 0.00 H new ATOM 0 HE22 GLN A 67 9.537 9.525 7.188 1.00 0.00 H new ATOM 1006 N LEU A 68 5.211 5.986 7.958 1.00 0.00 N ATOM 1007 CA LEU A 68 4.270 4.879 7.943 1.00 0.00 C ATOM 1008 C LEU A 68 4.435 4.058 9.224 1.00 0.00 C ATOM 1009 O LEU A 68 3.536 3.311 9.607 1.00 0.00 O ATOM 1010 CB LEU A 68 4.429 4.058 6.662 1.00 0.00 C ATOM 1011 CG LEU A 68 4.249 4.823 5.349 1.00 0.00 C ATOM 1012 CD1 LEU A 68 4.446 3.899 4.145 1.00 0.00 C ATOM 1013 CD2 LEU A 68 2.895 5.535 5.310 1.00 0.00 C ATOM 0 H LEU A 68 5.863 6.002 7.173 1.00 0.00 H new ATOM 0 HA LEU A 68 3.245 5.250 7.931 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.421 3.607 6.664 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.708 3.241 6.686 1.00 0.00 H new ATOM 0 HG LEU A 68 5.019 5.593 5.294 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.313 4.467 3.225 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.451 3.479 4.170 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.714 3.092 4.182 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.793 6.071 4.366 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.095 4.800 5.398 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.832 6.242 6.137 1.00 0.00 H new ATOM 1025 N THR A 69 5.591 4.224 9.851 1.00 0.00 N ATOM 1026 CA THR A 69 5.885 3.507 11.080 1.00 0.00 C ATOM 1027 C THR A 69 4.988 4.006 12.215 1.00 0.00 C ATOM 1028 O THR A 69 4.758 3.290 13.189 1.00 0.00 O ATOM 1029 CB THR A 69 7.378 3.663 11.372 1.00 0.00 C ATOM 1030 OG1 THR A 69 7.525 3.173 12.702 1.00 0.00 O ATOM 1031 CG2 THR A 69 7.807 5.129 11.466 1.00 0.00 C ATOM 0 H THR A 69 6.335 4.844 9.531 1.00 0.00 H new ATOM 0 HA THR A 69 5.668 2.443 10.980 1.00 0.00 H new ATOM 0 HB THR A 69 7.954 3.166 10.591 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.465 3.236 12.972 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.876 5.183 11.675 1.00 0.00 H new ATOM 0 HG22 THR A 69 7.596 5.631 10.522 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.256 5.619 12.269 1.00 0.00 H new ATOM 1039 N TYR A 70 4.507 5.229 12.052 1.00 0.00 N ATOM 1040 CA TYR A 70 3.641 5.832 13.051 1.00 0.00 C ATOM 1041 C TYR A 70 2.193 5.368 12.874 1.00 0.00 C ATOM 1042 O TYR A 70 1.584 4.851 13.810 1.00 0.00 O ATOM 1043 CB TYR A 70 3.712 7.342 12.816 1.00 0.00 C ATOM 1044 CG TYR A 70 5.053 7.969 13.201 1.00 0.00 C ATOM 1045 CD1 TYR A 70 6.113 7.163 13.564 1.00 0.00 C ATOM 1046 CD2 TYR A 70 5.203 9.341 13.185 1.00 0.00 C ATOM 1047 CE1 TYR A 70 7.375 7.753 13.926 1.00 0.00 C ATOM 1048 CE2 TYR A 70 6.466 9.931 13.547 1.00 0.00 C ATOM 1049 CZ TYR A 70 7.489 9.108 13.900 1.00 0.00 C ATOM 1050 OH TYR A 70 8.682 9.666 14.242 1.00 0.00 O ATOM 0 H TYR A 70 4.700 5.819 11.243 1.00 0.00 H new ATOM 0 HA TYR A 70 3.959 5.550 14.055 1.00 0.00 H new ATOM 0 HB2 TYR A 70 3.517 7.545 11.763 1.00 0.00 H new ATOM 0 HB3 TYR A 70 2.919 7.826 13.386 1.00 0.00 H new ATOM 0 HD1 TYR A 70 5.996 6.089 13.576 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.374 9.972 12.901 1.00 0.00 H new ATOM 0 HE1 TYR A 70 8.212 7.134 14.212 1.00 0.00 H new ATOM 0 HE2 TYR A 70 6.597 11.003 13.538 1.00 0.00 H new ATOM 0 HH TYR A 70 8.617 10.642 14.177 1.00 0.00 H new ATOM 1060 N ILE A 71 1.685 5.568 11.667 1.00 0.00 N ATOM 1061 CA ILE A 71 0.321 5.177 11.355 1.00 0.00 C ATOM 1062 C ILE A 71 0.040 3.799 11.958 1.00 0.00 C ATOM 1063 O ILE A 71 0.902 2.922 11.938 1.00 0.00 O ATOM 1064 CB ILE A 71 0.074 5.251 9.847 1.00 0.00 C ATOM 1065 CG1 ILE A 71 0.138 6.697 9.351 1.00 0.00 C ATOM 1066 CG2 ILE A 71 -1.247 4.575 9.474 1.00 0.00 C ATOM 1067 CD1 ILE A 71 1.396 6.934 8.513 1.00 0.00 C ATOM 0 H ILE A 71 2.194 5.996 10.893 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.387 5.873 11.805 1.00 0.00 H new ATOM 0 HB ILE A 71 0.870 4.702 9.343 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.747 6.921 8.756 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.130 7.378 10.202 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.398 4.642 8.397 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.216 3.527 9.772 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.069 5.074 9.987 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.417 7.969 8.173 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.280 6.733 9.119 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.389 6.269 7.650 1.00 0.00 H new ATOM 1079 N SER A 72 -1.169 3.652 12.479 1.00 0.00 N ATOM 1080 CA SER A 72 -1.575 2.395 13.086 1.00 0.00 C ATOM 1081 C SER A 72 -2.810 1.844 12.372 1.00 0.00 C ATOM 1082 O SER A 72 -2.906 0.642 12.129 1.00 0.00 O ATOM 1083 CB SER A 72 -1.859 2.572 14.579 1.00 0.00 C ATOM 1084 OG SER A 72 -1.707 1.351 15.299 1.00 0.00 O ATOM 0 H SER A 72 -1.881 4.382 12.494 1.00 0.00 H new ATOM 0 HA SER A 72 -0.756 1.684 12.981 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.184 3.322 14.990 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.873 2.948 14.713 1.00 0.00 H new ATOM 0 HG SER A 72 -1.895 1.505 16.248 1.00 0.00 H new ATOM 1090 N LYS A 73 -3.725 2.748 12.056 1.00 0.00 N ATOM 1091 CA LYS A 73 -4.950 2.367 11.374 1.00 0.00 C ATOM 1092 C LYS A 73 -5.480 3.562 10.579 1.00 0.00 C ATOM 1093 O LYS A 73 -5.322 4.709 10.996 1.00 0.00 O ATOM 1094 CB LYS A 73 -5.962 1.795 12.370 1.00 0.00 C ATOM 1095 CG LYS A 73 -7.345 1.661 11.731 1.00 0.00 C ATOM 1096 CD LYS A 73 -8.214 2.882 12.042 1.00 0.00 C ATOM 1097 CE LYS A 73 -8.620 2.903 13.517 1.00 0.00 C ATOM 1098 NZ LYS A 73 -10.044 2.527 13.668 1.00 0.00 N ATOM 0 H LYS A 73 -3.643 3.744 12.260 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.754 1.569 10.658 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -5.623 0.820 12.719 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -6.023 2.443 13.244 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.241 1.549 10.652 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.834 0.759 12.099 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -7.668 3.793 11.798 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.106 2.867 11.416 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -7.994 2.213 14.083 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -8.454 3.897 13.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -10.303 2.546 14.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.638 3.201 13.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.192 1.569 13.291 1.00 0.00 H new ATOM 1112 N VAL A 74 -6.096 3.253 9.448 1.00 0.00 N ATOM 1113 CA VAL A 74 -6.649 4.287 8.590 1.00 0.00 C ATOM 1114 C VAL A 74 -8.138 4.016 8.366 1.00 0.00 C ATOM 1115 O VAL A 74 -8.504 3.200 7.522 1.00 0.00 O ATOM 1116 CB VAL A 74 -5.853 4.367 7.286 1.00 0.00 C ATOM 1117 CG1 VAL A 74 -6.327 5.539 6.424 1.00 0.00 C ATOM 1118 CG2 VAL A 74 -4.352 4.463 7.564 1.00 0.00 C ATOM 0 H VAL A 74 -6.225 2.301 9.105 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.565 5.264 9.067 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.032 3.448 6.729 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.744 5.573 5.503 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.382 5.409 6.182 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.193 6.471 6.972 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.810 4.519 6.620 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.148 5.357 8.153 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.027 3.582 8.117 1.00 0.00 H new ATOM 1128 N SER A 75 -8.957 4.716 9.137 1.00 0.00 N ATOM 1129 CA SER A 75 -10.398 4.561 9.034 1.00 0.00 C ATOM 1130 C SER A 75 -11.022 5.835 8.462 1.00 0.00 C ATOM 1131 O SER A 75 -10.418 6.905 8.517 1.00 0.00 O ATOM 1132 CB SER A 75 -11.016 4.232 10.394 1.00 0.00 C ATOM 1133 OG SER A 75 -12.372 4.661 10.483 1.00 0.00 O ATOM 0 H SER A 75 -8.650 5.392 9.836 1.00 0.00 H new ATOM 0 HA SER A 75 -10.604 3.729 8.361 1.00 0.00 H new ATOM 0 HB2 SER A 75 -10.964 3.157 10.565 1.00 0.00 H new ATOM 0 HB3 SER A 75 -10.433 4.709 11.182 1.00 0.00 H new ATOM 0 HG SER A 75 -12.731 4.431 11.366 1.00 0.00 H new ATOM 1139 N ILE A 76 -12.223 5.679 7.926 1.00 0.00 N ATOM 1140 CA ILE A 76 -12.936 6.804 7.344 1.00 0.00 C ATOM 1141 C ILE A 76 -13.348 7.771 8.456 1.00 0.00 C ATOM 1142 O ILE A 76 -13.796 7.345 9.519 1.00 0.00 O ATOM 1143 CB ILE A 76 -14.107 6.313 6.491 1.00 0.00 C ATOM 1144 CG1 ILE A 76 -13.632 5.321 5.427 1.00 0.00 C ATOM 1145 CG2 ILE A 76 -14.870 7.489 5.878 1.00 0.00 C ATOM 1146 CD1 ILE A 76 -12.464 5.896 4.624 1.00 0.00 C ATOM 0 H ILE A 76 -12.721 4.790 7.882 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.287 7.356 6.665 1.00 0.00 H new ATOM 0 HB ILE A 76 -14.803 5.781 7.140 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -13.327 4.390 5.904 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -14.456 5.080 4.755 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -15.697 7.112 5.277 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -15.260 8.124 6.673 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -14.197 8.070 5.247 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -12.146 5.171 3.875 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -12.780 6.814 4.129 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -11.633 6.113 5.295 1.00 0.00 H new ATOM 1158 N ALA A 77 -13.181 9.054 8.171 1.00 0.00 N ATOM 1159 CA ALA A 77 -13.530 10.085 9.134 1.00 0.00 C ATOM 1160 C ALA A 77 -15.051 10.243 9.177 1.00 0.00 C ATOM 1161 O ALA A 77 -15.702 10.306 8.135 1.00 0.00 O ATOM 1162 CB ALA A 77 -12.819 11.389 8.766 1.00 0.00 C ATOM 0 H ALA A 77 -12.809 9.403 7.288 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.199 9.804 10.134 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.081 12.162 9.488 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.741 11.231 8.778 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -13.129 11.704 7.769 1.00 0.00 H new ATOM 1321 N PHE A 87 -16.067 12.268 1.478 1.00 0.00 N ATOM 1322 CA PHE A 87 -14.991 11.302 1.340 1.00 0.00 C ATOM 1323 C PHE A 87 -13.745 11.757 2.101 1.00 0.00 C ATOM 1324 O PHE A 87 -12.820 12.311 1.509 1.00 0.00 O ATOM 1325 CB PHE A 87 -14.660 11.212 -0.151 1.00 0.00 C ATOM 1326 CG PHE A 87 -15.858 11.455 -1.071 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -16.780 10.474 -1.261 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -16.001 12.653 -1.699 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -17.892 10.700 -2.115 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -17.113 12.879 -2.553 1.00 0.00 C ATOM 1331 CZ PHE A 87 -18.035 11.898 -2.743 1.00 0.00 C ATOM 0 HA PHE A 87 -15.300 10.339 1.747 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -13.882 11.939 -0.384 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -14.247 10.225 -0.362 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -16.667 9.523 -0.762 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -15.269 13.432 -1.548 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -18.624 9.921 -2.266 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -17.226 13.830 -3.052 1.00 0.00 H new ATOM 0 HZ PHE A 87 -18.881 12.070 -3.392 1.00 0.00 H new ATOM 1341 N CYS A 88 -13.760 11.506 3.402 1.00 0.00 N ATOM 1342 CA CYS A 88 -12.642 11.883 4.250 1.00 0.00 C ATOM 1343 C CYS A 88 -12.174 10.639 5.009 1.00 0.00 C ATOM 1344 O CYS A 88 -12.970 9.746 5.295 1.00 0.00 O ATOM 1345 CB CYS A 88 -13.011 13.025 5.198 1.00 0.00 C ATOM 1346 SG CYS A 88 -14.573 12.635 6.069 1.00 0.00 S ATOM 0 H CYS A 88 -14.529 11.046 3.889 1.00 0.00 H new ATOM 0 HA CYS A 88 -11.826 12.260 3.634 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -12.211 13.181 5.921 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -13.120 13.953 4.637 1.00 0.00 H new ATOM 0 HG CYS A 88 -14.876 13.610 6.873 1.00 0.00 H new ATOM 1352 N PHE A 89 -10.885 10.621 5.314 1.00 0.00 N ATOM 1353 CA PHE A 89 -10.302 9.502 6.034 1.00 0.00 C ATOM 1354 C PHE A 89 -9.350 9.990 7.128 1.00 0.00 C ATOM 1355 O PHE A 89 -8.548 10.895 6.899 1.00 0.00 O ATOM 1356 CB PHE A 89 -9.511 8.678 5.016 1.00 0.00 C ATOM 1357 CG PHE A 89 -8.348 9.436 4.372 1.00 0.00 C ATOM 1358 CD1 PHE A 89 -7.129 9.453 4.976 1.00 0.00 C ATOM 1359 CD2 PHE A 89 -8.532 10.092 3.195 1.00 0.00 C ATOM 1360 CE1 PHE A 89 -6.050 10.156 4.378 1.00 0.00 C ATOM 1361 CE2 PHE A 89 -7.453 10.795 2.597 1.00 0.00 C ATOM 1362 CZ PHE A 89 -6.235 10.812 3.201 1.00 0.00 C ATOM 0 H PHE A 89 -10.228 11.364 5.076 1.00 0.00 H new ATOM 0 HA PHE A 89 -11.088 8.915 6.509 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -9.122 7.787 5.509 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -10.189 8.339 4.233 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -6.982 8.932 5.910 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -9.499 10.078 2.715 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.082 10.170 4.858 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -7.600 11.316 1.663 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.414 11.347 2.746 1.00 0.00 H new ATOM 1372 N VAL A 90 -9.469 9.370 8.292 1.00 0.00 N ATOM 1373 CA VAL A 90 -8.629 9.729 9.422 1.00 0.00 C ATOM 1374 C VAL A 90 -7.505 8.701 9.564 1.00 0.00 C ATOM 1375 O VAL A 90 -7.765 7.506 9.690 1.00 0.00 O ATOM 1376 CB VAL A 90 -9.481 9.862 10.686 1.00 0.00 C ATOM 1377 CG1 VAL A 90 -8.660 9.539 11.936 1.00 0.00 C ATOM 1378 CG2 VAL A 90 -10.103 11.257 10.783 1.00 0.00 C ATOM 0 H VAL A 90 -10.135 8.620 8.478 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.162 10.700 9.257 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.293 9.137 10.622 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.289 9.641 12.821 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -8.287 8.517 11.872 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.819 10.229 12.007 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -10.704 11.325 11.690 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -9.312 12.007 10.814 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -10.737 11.434 9.914 1.00 0.00 H new ATOM 1388 N ILE A 91 -6.280 9.205 9.538 1.00 0.00 N ATOM 1389 CA ILE A 91 -5.115 8.345 9.663 1.00 0.00 C ATOM 1390 C ILE A 91 -4.732 8.222 11.139 1.00 0.00 C ATOM 1391 O ILE A 91 -4.169 9.150 11.717 1.00 0.00 O ATOM 1392 CB ILE A 91 -3.978 8.851 8.773 1.00 0.00 C ATOM 1393 CG1 ILE A 91 -4.220 8.479 7.309 1.00 0.00 C ATOM 1394 CG2 ILE A 91 -2.623 8.349 9.276 1.00 0.00 C ATOM 1395 CD1 ILE A 91 -3.102 9.017 6.414 1.00 0.00 C ATOM 0 H ILE A 91 -6.069 10.197 9.432 1.00 0.00 H new ATOM 0 HA ILE A 91 -5.344 7.340 9.308 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.959 9.939 8.829 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.279 7.395 7.211 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.178 8.882 6.981 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.832 8.723 8.626 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.457 8.707 10.292 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.613 7.259 9.269 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.299 8.738 5.379 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.061 10.103 6.496 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.148 8.593 6.729 1.00 0.00 H new ATOM 1407 N ASN A 92 -5.053 7.069 11.707 1.00 0.00 N ATOM 1408 CA ASN A 92 -4.750 6.813 13.104 1.00 0.00 C ATOM 1409 C ASN A 92 -3.283 6.402 13.237 1.00 0.00 C ATOM 1410 O ASN A 92 -2.812 5.525 12.514 1.00 0.00 O ATOM 1411 CB ASN A 92 -5.611 5.674 13.655 1.00 0.00 C ATOM 1412 CG ASN A 92 -6.421 6.136 14.868 1.00 0.00 C ATOM 1413 OD1 ASN A 92 -5.994 6.036 16.007 1.00 0.00 O ATOM 1414 ND2 ASN A 92 -7.611 6.645 14.562 1.00 0.00 N ATOM 0 H ASN A 92 -5.520 6.301 11.224 1.00 0.00 H new ATOM 0 HA ASN A 92 -4.955 7.725 13.665 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.286 5.315 12.878 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -4.974 4.835 13.937 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -8.228 6.981 15.302 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -7.907 6.700 13.587 1.00 0.00 H new ATOM 1421 N ALA A 93 -2.600 7.056 14.165 1.00 0.00 N ATOM 1422 CA ALA A 93 -1.195 6.770 14.401 1.00 0.00 C ATOM 1423 C ALA A 93 -0.961 6.590 15.902 1.00 0.00 C ATOM 1424 O ALA A 93 -1.800 6.025 16.601 1.00 0.00 O ATOM 1425 CB ALA A 93 -0.339 7.891 13.808 1.00 0.00 C ATOM 0 H ALA A 93 -2.993 7.783 14.762 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.904 5.842 13.908 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.715 7.676 13.985 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.520 7.959 12.735 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.601 8.838 14.281 1.00 0.00 H new ATOM 1431 N LEU A 94 0.184 7.081 16.354 1.00 0.00 N ATOM 1432 CA LEU A 94 0.539 6.981 17.759 1.00 0.00 C ATOM 1433 C LEU A 94 -0.711 7.201 18.613 1.00 0.00 C ATOM 1434 O LEU A 94 -1.291 6.247 19.128 1.00 0.00 O ATOM 1435 CB LEU A 94 1.686 7.937 18.091 1.00 0.00 C ATOM 1436 CG LEU A 94 2.750 8.111 17.005 1.00 0.00 C ATOM 1437 CD1 LEU A 94 3.011 6.791 16.278 1.00 0.00 C ATOM 1438 CD2 LEU A 94 2.368 9.233 16.038 1.00 0.00 C ATOM 0 H LEU A 94 0.878 7.549 15.771 1.00 0.00 H new ATOM 0 HA LEU A 94 0.911 5.982 17.988 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.263 8.916 18.317 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.176 7.584 18.998 1.00 0.00 H new ATOM 0 HG LEU A 94 3.684 8.404 17.485 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.771 6.942 15.511 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.359 6.045 16.992 1.00 0.00 H new ATOM 0 HD13 LEU A 94 2.089 6.444 15.812 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.141 9.336 15.276 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.418 8.994 15.561 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.273 10.170 16.587 1.00 0.00 H new ATOM 1450 N SER A 95 -1.090 8.465 18.737 1.00 0.00 N ATOM 1451 CA SER A 95 -2.261 8.822 19.520 1.00 0.00 C ATOM 1452 C SER A 95 -2.910 10.082 18.945 1.00 0.00 C ATOM 1453 O SER A 95 -3.559 10.836 19.668 1.00 0.00 O ATOM 1454 CB SER A 95 -1.896 9.037 20.990 1.00 0.00 C ATOM 1455 OG SER A 95 -0.676 9.759 21.137 1.00 0.00 O ATOM 0 H SER A 95 -0.607 9.254 18.308 1.00 0.00 H new ATOM 0 HA SER A 95 -2.972 7.998 19.467 1.00 0.00 H new ATOM 0 HB2 SER A 95 -2.700 9.579 21.488 1.00 0.00 H new ATOM 0 HB3 SER A 95 -1.808 8.071 21.487 1.00 0.00 H new ATOM 0 HG SER A 95 -0.479 9.877 22.090 1.00 0.00 H new ATOM 1461 N GLN A 96 -2.713 10.272 17.648 1.00 0.00 N ATOM 1462 CA GLN A 96 -3.272 11.428 16.968 1.00 0.00 C ATOM 1463 C GLN A 96 -4.211 10.981 15.846 1.00 0.00 C ATOM 1464 O GLN A 96 -4.330 9.788 15.569 1.00 0.00 O ATOM 1465 CB GLN A 96 -2.164 12.334 16.426 1.00 0.00 C ATOM 1466 CG GLN A 96 -2.257 13.736 17.032 1.00 0.00 C ATOM 1467 CD GLN A 96 -1.161 14.647 16.475 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -0.138 14.882 17.097 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -1.431 15.145 15.272 1.00 0.00 N ATOM 0 H GLN A 96 -2.174 9.645 17.051 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.849 12.006 17.690 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -1.190 11.900 16.653 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -2.239 12.397 15.340 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -3.236 14.165 16.817 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -2.167 13.674 18.117 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -2.307 14.908 14.807 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -0.762 15.764 14.815 1.00 0.00 H new ATOM 1478 N ARG A 97 -4.856 11.962 15.231 1.00 0.00 N ATOM 1479 CA ARG A 97 -5.781 11.684 14.146 1.00 0.00 C ATOM 1480 C ARG A 97 -5.666 12.758 13.062 1.00 0.00 C ATOM 1481 O ARG A 97 -6.084 13.897 13.264 1.00 0.00 O ATOM 1482 CB ARG A 97 -7.224 11.634 14.652 1.00 0.00 C ATOM 1483 CG ARG A 97 -7.629 12.965 15.289 1.00 0.00 C ATOM 1484 CD ARG A 97 -8.800 12.777 16.256 1.00 0.00 C ATOM 1485 NE ARG A 97 -8.503 13.440 17.545 1.00 0.00 N ATOM 1486 CZ ARG A 97 -7.672 12.943 18.472 1.00 0.00 C ATOM 1487 NH1 ARG A 97 -7.051 11.775 18.258 1.00 0.00 N ATOM 1488 NH2 ARG A 97 -7.462 13.615 19.613 1.00 0.00 N ATOM 0 H ARG A 97 -4.756 12.950 15.464 1.00 0.00 H new ATOM 0 HA ARG A 97 -5.520 10.712 13.729 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -7.895 11.404 13.825 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -7.330 10.831 15.381 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -6.778 13.391 15.821 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -7.906 13.675 14.510 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -9.710 13.194 15.824 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -8.982 11.715 16.418 1.00 0.00 H new ATOM 0 HE ARG A 97 -8.959 14.331 17.740 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -7.211 11.264 17.390 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -6.419 11.397 18.963 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -7.935 14.504 19.776 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -6.830 13.237 20.319 1.00 0.00 H new ATOM 1502 N TYR A 98 -5.096 12.357 11.935 1.00 0.00 N ATOM 1503 CA TYR A 98 -4.920 13.270 10.819 1.00 0.00 C ATOM 1504 C TYR A 98 -6.162 13.289 9.925 1.00 0.00 C ATOM 1505 O TYR A 98 -6.563 12.256 9.393 1.00 0.00 O ATOM 1506 CB TYR A 98 -3.736 12.731 10.015 1.00 0.00 C ATOM 1507 CG TYR A 98 -2.379 12.933 10.694 1.00 0.00 C ATOM 1508 CD1 TYR A 98 -1.748 14.158 10.624 1.00 0.00 C ATOM 1509 CD2 TYR A 98 -1.788 11.890 11.377 1.00 0.00 C ATOM 1510 CE1 TYR A 98 -0.471 14.348 11.262 1.00 0.00 C ATOM 1511 CE2 TYR A 98 -0.511 12.080 12.016 1.00 0.00 C ATOM 1512 CZ TYR A 98 0.084 13.299 11.927 1.00 0.00 C ATOM 1513 OH TYR A 98 1.290 13.479 12.530 1.00 0.00 O ATOM 0 H TYR A 98 -4.750 11.412 11.771 1.00 0.00 H new ATOM 0 HA TYR A 98 -4.754 14.286 11.177 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -3.886 11.666 9.836 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -3.719 13.219 9.041 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -2.212 14.975 10.091 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -2.283 10.932 11.433 1.00 0.00 H new ATOM 0 HE1 TYR A 98 0.034 15.301 11.214 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.037 11.272 12.554 1.00 0.00 H new ATOM 0 HH TYR A 98 1.564 12.646 12.968 1.00 0.00 H new ATOM 1523 N PHE A 99 -6.735 14.476 9.788 1.00 0.00 N ATOM 1524 CA PHE A 99 -7.923 14.643 8.968 1.00 0.00 C ATOM 1525 C PHE A 99 -7.558 15.160 7.575 1.00 0.00 C ATOM 1526 O PHE A 99 -7.100 16.292 7.429 1.00 0.00 O ATOM 1527 CB PHE A 99 -8.808 15.676 9.667 1.00 0.00 C ATOM 1528 CG PHE A 99 -9.535 15.139 10.901 1.00 0.00 C ATOM 1529 CD1 PHE A 99 -10.414 14.109 10.778 1.00 0.00 C ATOM 1530 CD2 PHE A 99 -9.303 15.693 12.122 1.00 0.00 C ATOM 1531 CE1 PHE A 99 -11.089 13.611 11.923 1.00 0.00 C ATOM 1532 CE2 PHE A 99 -9.978 15.194 13.267 1.00 0.00 C ATOM 1533 CZ PHE A 99 -10.857 14.164 13.144 1.00 0.00 C ATOM 0 H PHE A 99 -6.399 15.331 10.231 1.00 0.00 H new ATOM 0 HA PHE A 99 -8.431 13.686 8.850 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -8.193 16.526 9.962 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -9.546 16.048 8.956 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -10.599 13.670 9.809 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -8.606 16.512 12.220 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -11.787 12.793 11.825 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -9.793 15.633 14.236 1.00 0.00 H new ATOM 0 HZ PHE A 99 -11.371 13.785 14.015 1.00 0.00 H new ATOM 1543 N LEU A 100 -7.776 14.306 6.586 1.00 0.00 N ATOM 1544 CA LEU A 100 -7.477 14.662 5.209 1.00 0.00 C ATOM 1545 C LEU A 100 -8.744 14.521 4.363 1.00 0.00 C ATOM 1546 O LEU A 100 -9.633 13.738 4.696 1.00 0.00 O ATOM 1547 CB LEU A 100 -6.295 13.842 4.688 1.00 0.00 C ATOM 1548 CG LEU A 100 -5.088 13.736 5.623 1.00 0.00 C ATOM 1549 CD1 LEU A 100 -5.295 12.633 6.663 1.00 0.00 C ATOM 1550 CD2 LEU A 100 -3.795 13.541 4.829 1.00 0.00 C ATOM 0 H LEU A 100 -8.156 13.368 6.711 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.165 15.704 5.145 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.647 12.835 4.466 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -5.963 14.278 3.746 1.00 0.00 H new ATOM 0 HG LEU A 100 -4.993 14.676 6.166 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.423 12.579 7.315 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.180 12.856 7.259 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.430 11.677 6.157 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.953 13.469 5.517 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -3.863 12.625 4.242 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.646 14.390 4.162 1.00 0.00 H new ATOM 1562 N GLN A 101 -8.786 15.290 3.285 1.00 0.00 N ATOM 1563 CA GLN A 101 -9.929 15.261 2.389 1.00 0.00 C ATOM 1564 C GLN A 101 -9.492 14.841 0.984 1.00 0.00 C ATOM 1565 O GLN A 101 -8.427 15.242 0.516 1.00 0.00 O ATOM 1566 CB GLN A 101 -10.639 16.616 2.360 1.00 0.00 C ATOM 1567 CG GLN A 101 -12.150 16.448 2.529 1.00 0.00 C ATOM 1568 CD GLN A 101 -12.914 17.431 1.640 1.00 0.00 C ATOM 1569 OE1 GLN A 101 -12.343 18.286 0.983 1.00 0.00 O ATOM 1570 NE2 GLN A 101 -14.233 17.263 1.656 1.00 0.00 N ATOM 0 H GLN A 101 -8.046 15.937 3.012 1.00 0.00 H new ATOM 0 HA GLN A 101 -10.640 14.524 2.763 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -10.249 17.252 3.155 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -10.429 17.120 1.417 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -12.436 15.427 2.278 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -12.423 16.608 3.572 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -14.646 16.527 2.229 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -14.831 17.870 1.096 1.00 0.00 H new ATOM 1579 N ALA A 102 -10.335 14.039 0.352 1.00 0.00 N ATOM 1580 CA ALA A 102 -10.049 13.560 -0.990 1.00 0.00 C ATOM 1581 C ALA A 102 -10.868 14.366 -2.000 1.00 0.00 C ATOM 1582 O ALA A 102 -11.557 15.316 -1.630 1.00 0.00 O ATOM 1583 CB ALA A 102 -10.338 12.060 -1.070 1.00 0.00 C ATOM 0 H ALA A 102 -11.217 13.708 0.744 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.996 13.702 -1.231 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.123 11.701 -2.077 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.710 11.530 -0.354 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.387 11.879 -0.836 1.00 0.00 H new ATOM 1589 N ASN A 103 -10.767 13.958 -3.257 1.00 0.00 N ATOM 1590 CA ASN A 103 -11.490 14.630 -4.323 1.00 0.00 C ATOM 1591 C ASN A 103 -12.778 13.862 -4.622 1.00 0.00 C ATOM 1592 O ASN A 103 -13.870 14.427 -4.564 1.00 0.00 O ATOM 1593 CB ASN A 103 -10.659 14.679 -5.606 1.00 0.00 C ATOM 1594 CG ASN A 103 -9.897 16.001 -5.717 1.00 0.00 C ATOM 1595 OD1 ASN A 103 -10.380 16.982 -6.258 1.00 0.00 O ATOM 1596 ND2 ASN A 103 -8.682 15.972 -5.177 1.00 0.00 N ATOM 0 H ASN A 103 -10.195 13.170 -3.561 1.00 0.00 H new ATOM 0 HA ASN A 103 -11.707 15.647 -3.995 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -9.955 13.847 -5.619 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -11.311 14.558 -6.471 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -8.093 16.805 -5.200 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -8.339 15.117 -4.739 1.00 0.00 H new ATOM 1603 N ASP A 104 -12.610 12.586 -4.936 1.00 0.00 N ATOM 1604 CA ASP A 104 -13.746 11.735 -5.244 1.00 0.00 C ATOM 1605 C ASP A 104 -13.869 10.647 -4.175 1.00 0.00 C ATOM 1606 O ASP A 104 -13.117 10.642 -3.201 1.00 0.00 O ATOM 1607 CB ASP A 104 -13.567 11.047 -6.599 1.00 0.00 C ATOM 1608 CG ASP A 104 -12.130 10.640 -6.933 1.00 0.00 C ATOM 1609 OD1 ASP A 104 -11.554 9.878 -6.127 1.00 0.00 O ATOM 1610 OD2 ASP A 104 -11.640 11.101 -7.987 1.00 0.00 O ATOM 0 H ASP A 104 -11.704 12.121 -4.984 1.00 0.00 H new ATOM 0 HA ASP A 104 -14.638 12.361 -5.271 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -14.196 10.157 -6.623 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -13.930 11.715 -7.380 1.00 0.00 H new ATOM 1615 N GLN A 105 -14.822 9.754 -4.392 1.00 0.00 N ATOM 1616 CA GLN A 105 -15.053 8.664 -3.458 1.00 0.00 C ATOM 1617 C GLN A 105 -13.985 7.582 -3.631 1.00 0.00 C ATOM 1618 O GLN A 105 -13.716 6.818 -2.705 1.00 0.00 O ATOM 1619 CB GLN A 105 -16.457 8.082 -3.632 1.00 0.00 C ATOM 1620 CG GLN A 105 -16.536 6.663 -3.064 1.00 0.00 C ATOM 1621 CD GLN A 105 -17.935 6.073 -3.256 1.00 0.00 C ATOM 1622 OE1 GLN A 105 -18.933 6.620 -2.818 1.00 0.00 O ATOM 1623 NE2 GLN A 105 -17.951 4.928 -3.934 1.00 0.00 N ATOM 0 H GLN A 105 -15.444 9.762 -5.201 1.00 0.00 H new ATOM 0 HA GLN A 105 -14.982 9.058 -2.444 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -17.184 8.720 -3.129 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -16.721 8.070 -4.689 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -15.799 6.029 -3.557 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -16.286 6.678 -2.003 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -17.078 4.524 -4.273 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -18.836 4.455 -4.115 1.00 0.00 H new ATOM 1632 N LYS A 106 -13.406 7.552 -4.822 1.00 0.00 N ATOM 1633 CA LYS A 106 -12.374 6.576 -5.128 1.00 0.00 C ATOM 1634 C LYS A 106 -11.091 6.946 -4.381 1.00 0.00 C ATOM 1635 O LYS A 106 -10.684 6.246 -3.455 1.00 0.00 O ATOM 1636 CB LYS A 106 -12.189 6.448 -6.641 1.00 0.00 C ATOM 1637 CG LYS A 106 -13.370 5.713 -7.278 1.00 0.00 C ATOM 1638 CD LYS A 106 -13.062 5.332 -8.727 1.00 0.00 C ATOM 1639 CE LYS A 106 -12.836 3.824 -8.862 1.00 0.00 C ATOM 1640 NZ LYS A 106 -11.396 3.528 -9.025 1.00 0.00 N ATOM 0 H LYS A 106 -13.632 8.188 -5.587 1.00 0.00 H new ATOM 0 HA LYS A 106 -12.671 5.586 -4.782 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -12.091 7.439 -7.084 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -11.265 5.911 -6.854 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -13.597 4.815 -6.703 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -14.257 6.346 -7.245 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -13.887 5.639 -9.370 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -12.176 5.868 -9.067 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -13.221 3.312 -7.980 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -13.391 3.443 -9.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -11.261 2.501 -9.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -11.039 4.001 -9.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -10.874 3.874 -8.195 1.00 0.00 H new ATOM 1654 N ASP A 107 -10.490 8.046 -4.810 1.00 0.00 N ATOM 1655 CA ASP A 107 -9.262 8.517 -4.193 1.00 0.00 C ATOM 1656 C ASP A 107 -9.358 8.340 -2.677 1.00 0.00 C ATOM 1657 O ASP A 107 -8.449 7.793 -2.054 1.00 0.00 O ATOM 1658 CB ASP A 107 -9.036 10.003 -4.482 1.00 0.00 C ATOM 1659 CG ASP A 107 -7.569 10.434 -4.536 1.00 0.00 C ATOM 1660 OD1 ASP A 107 -6.708 9.544 -4.366 1.00 0.00 O ATOM 1661 OD2 ASP A 107 -7.341 11.646 -4.745 1.00 0.00 O ATOM 0 H ASP A 107 -10.831 8.625 -5.578 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.434 7.939 -4.604 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -9.507 10.249 -5.434 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -9.543 10.588 -3.715 1.00 0.00 H new ATOM 1666 N LEU A 108 -10.466 8.812 -2.126 1.00 0.00 N ATOM 1667 CA LEU A 108 -10.692 8.712 -0.694 1.00 0.00 C ATOM 1668 C LEU A 108 -10.437 7.273 -0.241 1.00 0.00 C ATOM 1669 O LEU A 108 -9.569 7.026 0.595 1.00 0.00 O ATOM 1670 CB LEU A 108 -12.086 9.232 -0.334 1.00 0.00 C ATOM 1671 CG LEU A 108 -12.636 8.791 1.024 1.00 0.00 C ATOM 1672 CD1 LEU A 108 -13.230 7.383 0.944 1.00 0.00 C ATOM 1673 CD2 LEU A 108 -11.565 8.900 2.111 1.00 0.00 C ATOM 0 H LEU A 108 -11.218 9.265 -2.646 1.00 0.00 H new ATOM 0 HA LEU A 108 -9.990 9.346 -0.152 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -12.063 10.321 -0.358 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -12.783 8.911 -1.108 1.00 0.00 H new ATOM 0 HG LEU A 108 -13.445 9.467 1.300 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -13.614 7.094 1.922 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -14.043 7.372 0.218 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -12.457 6.679 0.635 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -11.982 8.581 3.066 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -10.719 8.263 1.853 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -11.230 9.934 2.189 1.00 0.00 H new ATOM 1685 N LYS A 109 -11.209 6.360 -0.813 1.00 0.00 N ATOM 1686 CA LYS A 109 -11.077 4.953 -0.478 1.00 0.00 C ATOM 1687 C LYS A 109 -9.664 4.481 -0.824 1.00 0.00 C ATOM 1688 O LYS A 109 -8.968 3.921 0.021 1.00 0.00 O ATOM 1689 CB LYS A 109 -12.181 4.136 -1.154 1.00 0.00 C ATOM 1690 CG LYS A 109 -13.272 3.754 -0.151 1.00 0.00 C ATOM 1691 CD LYS A 109 -13.348 2.235 0.024 1.00 0.00 C ATOM 1692 CE LYS A 109 -14.801 1.771 0.152 1.00 0.00 C ATOM 1693 NZ LYS A 109 -15.036 1.170 1.484 1.00 0.00 N ATOM 0 H LYS A 109 -11.928 6.568 -1.506 1.00 0.00 H new ATOM 0 HA LYS A 109 -11.210 4.802 0.593 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -12.617 4.712 -1.970 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -11.754 3.235 -1.594 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -13.068 4.225 0.811 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -14.235 4.133 -0.494 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -12.879 1.743 -0.828 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -12.788 1.939 0.911 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -15.473 2.616 0.004 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -15.027 1.043 -0.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -16.026 0.860 1.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -14.407 0.352 1.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -14.840 1.875 2.223 1.00 0.00 H new ATOM 1707 N ASP A 110 -9.281 4.724 -2.069 1.00 0.00 N ATOM 1708 CA ASP A 110 -7.963 4.331 -2.538 1.00 0.00 C ATOM 1709 C ASP A 110 -6.916 4.733 -1.497 1.00 0.00 C ATOM 1710 O ASP A 110 -6.158 3.891 -1.017 1.00 0.00 O ATOM 1711 CB ASP A 110 -7.615 5.031 -3.853 1.00 0.00 C ATOM 1712 CG ASP A 110 -8.707 4.978 -4.923 1.00 0.00 C ATOM 1713 OD1 ASP A 110 -9.586 4.099 -4.793 1.00 0.00 O ATOM 1714 OD2 ASP A 110 -8.639 5.818 -5.846 1.00 0.00 O ATOM 0 H ASP A 110 -9.861 5.189 -2.768 1.00 0.00 H new ATOM 0 HA ASP A 110 -7.968 3.252 -2.694 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -7.385 6.075 -3.641 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -6.709 4.581 -4.258 1.00 0.00 H new ATOM 1719 N TRP A 111 -6.908 6.019 -1.178 1.00 0.00 N ATOM 1720 CA TRP A 111 -5.967 6.542 -0.203 1.00 0.00 C ATOM 1721 C TRP A 111 -6.065 5.682 1.059 1.00 0.00 C ATOM 1722 O TRP A 111 -5.061 5.158 1.537 1.00 0.00 O ATOM 1723 CB TRP A 111 -6.222 8.027 0.064 1.00 0.00 C ATOM 1724 CG TRP A 111 -5.412 8.969 -0.828 1.00 0.00 C ATOM 1725 CD1 TRP A 111 -5.858 9.758 -1.815 1.00 0.00 C ATOM 1726 CD2 TRP A 111 -3.986 9.188 -0.775 1.00 0.00 C ATOM 1727 NE1 TRP A 111 -4.828 10.468 -2.399 1.00 0.00 N ATOM 1728 CE2 TRP A 111 -3.654 10.111 -1.747 1.00 0.00 C ATOM 1729 CE3 TRP A 111 -3.010 8.627 0.066 1.00 0.00 C ATOM 1730 CZ2 TRP A 111 -2.344 10.552 -1.969 1.00 0.00 C ATOM 1731 CZ3 TRP A 111 -1.705 9.078 -0.169 1.00 0.00 C ATOM 1732 CH2 TRP A 111 -1.355 10.006 -1.143 1.00 0.00 C ATOM 0 H TRP A 111 -7.538 6.714 -1.578 1.00 0.00 H new ATOM 0 HA TRP A 111 -4.947 6.486 -0.584 1.00 0.00 H new ATOM 0 HB2 TRP A 111 -7.283 8.234 -0.076 1.00 0.00 H new ATOM 0 HB3 TRP A 111 -5.991 8.243 1.107 1.00 0.00 H new ATOM 0 HD1 TRP A 111 -6.893 9.829 -2.116 1.00 0.00 H new ATOM 0 HE1 TRP A 111 -4.913 11.133 -3.168 1.00 0.00 H new ATOM 0 HE3 TRP A 111 -3.247 7.905 0.833 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -2.109 11.275 -2.736 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -0.916 8.677 0.450 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -0.324 10.304 -1.262 1.00 0.00 H new ATOM 1743 N VAL A 112 -7.285 5.564 1.562 1.00 0.00 N ATOM 1744 CA VAL A 112 -7.529 4.776 2.758 1.00 0.00 C ATOM 1745 C VAL A 112 -6.900 3.392 2.589 1.00 0.00 C ATOM 1746 O VAL A 112 -6.039 2.997 3.373 1.00 0.00 O ATOM 1747 CB VAL A 112 -9.029 4.720 3.052 1.00 0.00 C ATOM 1748 CG1 VAL A 112 -9.306 3.949 4.344 1.00 0.00 C ATOM 1749 CG2 VAL A 112 -9.629 6.126 3.113 1.00 0.00 C ATOM 0 H VAL A 112 -8.116 6.001 1.163 1.00 0.00 H new ATOM 0 HA VAL A 112 -7.060 5.242 3.624 1.00 0.00 H new ATOM 0 HB VAL A 112 -9.511 4.186 2.233 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -10.380 3.924 4.530 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -8.931 2.930 4.247 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -8.805 4.443 5.177 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -10.696 6.057 3.323 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -9.140 6.697 3.902 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -9.479 6.627 2.157 1.00 0.00 H new ATOM 1759 N GLU A 113 -7.356 2.692 1.560 1.00 0.00 N ATOM 1760 CA GLU A 113 -6.849 1.360 1.277 1.00 0.00 C ATOM 1761 C GLU A 113 -5.322 1.383 1.178 1.00 0.00 C ATOM 1762 O GLU A 113 -4.643 0.580 1.815 1.00 0.00 O ATOM 1763 CB GLU A 113 -7.473 0.796 0.000 1.00 0.00 C ATOM 1764 CG GLU A 113 -8.992 0.978 0.005 1.00 0.00 C ATOM 1765 CD GLU A 113 -9.698 -0.289 -0.484 1.00 0.00 C ATOM 1766 OE1 GLU A 113 -9.670 -1.282 0.274 1.00 0.00 O ATOM 1767 OE2 GLU A 113 -10.250 -0.235 -1.604 1.00 0.00 O ATOM 0 H GLU A 113 -8.071 3.023 0.912 1.00 0.00 H new ATOM 0 HA GLU A 113 -7.130 0.703 2.100 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -7.046 1.296 -0.869 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -7.230 -0.263 -0.091 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -9.329 1.221 1.013 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -9.263 1.819 -0.633 1.00 0.00 H new ATOM 1774 N ALA A 114 -4.827 2.312 0.373 1.00 0.00 N ATOM 1775 CA ALA A 114 -3.394 2.450 0.182 1.00 0.00 C ATOM 1776 C ALA A 114 -2.721 2.662 1.539 1.00 0.00 C ATOM 1777 O ALA A 114 -1.714 2.024 1.843 1.00 0.00 O ATOM 1778 CB ALA A 114 -3.116 3.597 -0.792 1.00 0.00 C ATOM 0 H ALA A 114 -5.393 2.976 -0.154 1.00 0.00 H new ATOM 0 HA ALA A 114 -2.977 1.543 -0.255 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -2.040 3.700 -0.935 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -3.591 3.384 -1.750 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.519 4.525 -0.386 1.00 0.00 H new ATOM 1784 N LEU A 115 -3.303 3.560 2.319 1.00 0.00 N ATOM 1785 CA LEU A 115 -2.773 3.864 3.638 1.00 0.00 C ATOM 1786 C LEU A 115 -2.987 2.661 4.559 1.00 0.00 C ATOM 1787 O LEU A 115 -2.367 2.567 5.617 1.00 0.00 O ATOM 1788 CB LEU A 115 -3.378 5.164 4.172 1.00 0.00 C ATOM 1789 CG LEU A 115 -2.989 6.441 3.425 1.00 0.00 C ATOM 1790 CD1 LEU A 115 -4.037 7.537 3.632 1.00 0.00 C ATOM 1791 CD2 LEU A 115 -1.587 6.906 3.825 1.00 0.00 C ATOM 0 H LEU A 115 -4.137 4.088 2.063 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.698 4.038 3.586 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -4.464 5.071 4.152 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -3.087 5.275 5.217 1.00 0.00 H new ATOM 0 HG LEU A 115 -2.961 6.218 2.358 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -3.737 8.434 3.091 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -5.002 7.193 3.258 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -4.120 7.765 4.695 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -1.336 7.815 3.279 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -1.562 7.107 4.896 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -0.863 6.127 3.585 1.00 0.00 H new ATOM 1803 N ASN A 116 -3.867 1.772 4.122 1.00 0.00 N ATOM 1804 CA ASN A 116 -4.171 0.579 4.895 1.00 0.00 C ATOM 1805 C ASN A 116 -3.259 -0.562 4.442 1.00 0.00 C ATOM 1806 O ASN A 116 -3.144 -1.579 5.126 1.00 0.00 O ATOM 1807 CB ASN A 116 -5.621 0.139 4.680 1.00 0.00 C ATOM 1808 CG ASN A 116 -6.460 0.386 5.935 1.00 0.00 C ATOM 1809 OD1 ASN A 116 -6.428 -0.368 6.894 1.00 0.00 O ATOM 1810 ND2 ASN A 116 -7.211 1.482 5.877 1.00 0.00 N ATOM 0 H ASN A 116 -4.379 1.854 3.244 1.00 0.00 H new ATOM 0 HA ASN A 116 -4.017 0.811 5.949 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -6.049 0.684 3.839 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -5.649 -0.920 4.422 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -7.807 1.734 6.666 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -7.191 2.070 5.044 1.00 0.00 H new ATOM 1817 N GLN A 117 -2.632 -0.357 3.293 1.00 0.00 N ATOM 1818 CA GLN A 117 -1.734 -1.356 2.741 1.00 0.00 C ATOM 1819 C GLN A 117 -0.286 -1.033 3.117 1.00 0.00 C ATOM 1820 O GLN A 117 0.371 -1.817 3.801 1.00 0.00 O ATOM 1821 CB GLN A 117 -1.895 -1.461 1.223 1.00 0.00 C ATOM 1822 CG GLN A 117 -3.249 -2.073 0.857 1.00 0.00 C ATOM 1823 CD GLN A 117 -3.094 -3.133 -0.235 1.00 0.00 C ATOM 1824 OE1 GLN A 117 -2.105 -3.187 -0.948 1.00 0.00 O ATOM 1825 NE2 GLN A 117 -4.123 -3.971 -0.326 1.00 0.00 N ATOM 0 H GLN A 117 -2.729 0.487 2.729 1.00 0.00 H new ATOM 0 HA GLN A 117 -1.994 -2.325 3.168 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -1.806 -0.471 0.775 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -1.092 -2.072 0.810 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -3.701 -2.521 1.742 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -3.926 -1.290 0.515 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -4.920 -3.870 0.302 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -4.115 -4.715 -1.024 1.00 0.00 H new ATOM 1834 N ALA A 118 0.169 0.121 2.653 1.00 0.00 N ATOM 1835 CA ALA A 118 1.527 0.557 2.932 1.00 0.00 C ATOM 1836 C ALA A 118 1.839 0.322 4.411 1.00 0.00 C ATOM 1837 O ALA A 118 2.942 -0.098 4.757 1.00 0.00 O ATOM 1838 CB ALA A 118 1.685 2.024 2.529 1.00 0.00 C ATOM 0 H ALA A 118 -0.378 0.768 2.085 1.00 0.00 H new ATOM 0 HA ALA A 118 2.243 -0.020 2.348 1.00 0.00 H new ATOM 0 HB1 ALA A 118 2.703 2.351 2.738 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.481 2.133 1.464 1.00 0.00 H new ATOM 0 HB3 ALA A 118 0.984 2.635 3.097 1.00 0.00 H new ATOM 1844 N SER A 119 0.848 0.604 5.245 1.00 0.00 N ATOM 1845 CA SER A 119 1.004 0.428 6.679 1.00 0.00 C ATOM 1846 C SER A 119 0.905 -1.055 7.038 1.00 0.00 C ATOM 1847 O SER A 119 1.883 -1.657 7.479 1.00 0.00 O ATOM 1848 CB SER A 119 -0.046 1.232 7.449 1.00 0.00 C ATOM 1849 OG SER A 119 0.334 1.445 8.805 1.00 0.00 O ATOM 0 H SER A 119 -0.065 0.953 4.955 1.00 0.00 H new ATOM 0 HA SER A 119 1.988 0.799 6.964 1.00 0.00 H new ATOM 0 HB2 SER A 119 -0.197 2.194 6.959 1.00 0.00 H new ATOM 0 HB3 SER A 119 -1.000 0.706 7.418 1.00 0.00 H new ATOM 0 HG SER A 119 -0.469 1.508 9.364 1.00 0.00 H new