USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=15 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 -88:sc= -3.05! USER MOD Set 1.2: A 67 GLN : amide:sc= -0.986 K(o=-4,f=-8.2!) USER MOD Set 2.1: A 18 CYS SG : rot 180:sc= 0.4 USER MOD Set 2.2: A 36 TYR OH : rot -110:sc= 0.452 USER MOD Single : A 41 THR OG1 : rot 90:sc= -0.677 USER MOD Single : A 42 GLN : amide:sc= -0.298 K(o=-0.3,f=-2.7!) USER MOD Single : A 44 ASN : amide:sc= -0.873 K(o=-0.87,f=-3!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl -133:sc=-0.000145 (180deg=-1.9!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.288 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= -0.106 USER MOD Single : A 88 CYS SG : rot -63:sc= -1.23 USER MOD Single : A 92 ASN : amide:sc= -0.0154 X(o=-0.015,f=-0.023) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.0795 X(o=-0.079,f=0) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 103 ASN : amide:sc= -0.198 X(o=-0.2,f=0) USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,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= 0.366 X(o=0.37,f=0) USER MOD Single : A 117 GLN : amide:sc=-0.00103 X(o=-0.001,f=0) USER MOD Single : A 119 SER OG : rot -100:sc= -0.368 USER MOD ----------------------------------------------------------------- ATOM 201 N ARG A 16 1.819 2.548 -4.829 1.00 0.00 N ATOM 202 CA ARG A 16 2.160 3.960 -4.862 1.00 0.00 C ATOM 203 C ARG A 16 0.972 4.781 -5.366 1.00 0.00 C ATOM 204 O ARG A 16 0.674 4.782 -6.560 1.00 0.00 O ATOM 205 CB ARG A 16 3.367 4.214 -5.768 1.00 0.00 C ATOM 206 CG ARG A 16 4.537 4.797 -4.972 1.00 0.00 C ATOM 207 CD ARG A 16 4.685 6.297 -5.235 1.00 0.00 C ATOM 208 NE ARG A 16 6.119 6.662 -5.286 1.00 0.00 N ATOM 209 CZ ARG A 16 6.937 6.355 -6.301 1.00 0.00 C ATOM 210 NH1 ARG A 16 6.469 5.675 -7.357 1.00 0.00 N ATOM 211 NH2 ARG A 16 8.223 6.728 -6.261 1.00 0.00 N ATOM 0 HA ARG A 16 2.412 4.264 -3.846 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.674 3.281 -6.241 1.00 0.00 H new ATOM 0 HB3 ARG A 16 3.088 4.901 -6.567 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.379 4.625 -3.907 1.00 0.00 H new ATOM 0 HG3 ARG A 16 5.459 4.284 -5.245 1.00 0.00 H new ATOM 0 HD2 ARG A 16 4.201 6.559 -6.176 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.185 6.864 -4.450 1.00 0.00 H new ATOM 0 HE ARG A 16 6.508 7.180 -4.498 1.00 0.00 H new ATOM 0 HH11 ARG A 16 5.490 5.391 -7.388 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.092 5.441 -8.130 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.579 7.246 -5.458 1.00 0.00 H new ATOM 0 HH22 ARG A 16 8.846 6.494 -7.034 1.00 0.00 H new ATOM 225 N ILE A 17 0.324 5.461 -4.431 1.00 0.00 N ATOM 226 CA ILE A 17 -0.825 6.285 -4.765 1.00 0.00 C ATOM 227 C ILE A 17 -0.419 7.759 -4.728 1.00 0.00 C ATOM 228 O ILE A 17 0.462 8.145 -3.961 1.00 0.00 O ATOM 229 CB ILE A 17 -2.008 5.949 -3.855 1.00 0.00 C ATOM 230 CG1 ILE A 17 -3.333 6.343 -4.510 1.00 0.00 C ATOM 231 CG2 ILE A 17 -1.837 6.590 -2.476 1.00 0.00 C ATOM 232 CD1 ILE A 17 -4.462 5.408 -4.069 1.00 0.00 C ATOM 0 H ILE A 17 0.573 5.458 -3.442 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.163 6.073 -5.779 1.00 0.00 H new ATOM 0 HB ILE A 17 -2.031 4.869 -3.708 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -3.582 7.370 -4.245 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.231 6.309 -5.595 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.691 6.336 -1.848 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.923 6.218 -2.013 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.775 7.673 -2.583 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.393 5.710 -4.549 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.221 4.385 -4.357 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -4.578 5.462 -2.987 1.00 0.00 H new ATOM 244 N CYS A 18 -1.081 8.544 -5.565 1.00 0.00 N ATOM 245 CA CYS A 18 -0.800 9.968 -5.636 1.00 0.00 C ATOM 246 C CYS A 18 -2.109 10.702 -5.936 1.00 0.00 C ATOM 247 O CYS A 18 -3.031 10.124 -6.510 1.00 0.00 O ATOM 248 CB CYS A 18 0.279 10.280 -6.675 1.00 0.00 C ATOM 249 SG CYS A 18 -0.334 9.885 -8.353 1.00 0.00 S ATOM 0 H CYS A 18 -1.811 8.221 -6.200 1.00 0.00 H new ATOM 0 HA CYS A 18 -0.403 10.311 -4.681 1.00 0.00 H new ATOM 0 HB2 CYS A 18 0.556 11.333 -6.619 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.178 9.702 -6.462 1.00 0.00 H new ATOM 0 HG CYS A 18 0.589 10.156 -9.227 1.00 0.00 H new ATOM 255 N GLY A 19 -2.149 11.963 -5.533 1.00 0.00 N ATOM 256 CA GLY A 19 -3.329 12.782 -5.751 1.00 0.00 C ATOM 257 C GLY A 19 -3.257 14.076 -4.938 1.00 0.00 C ATOM 258 O GLY A 19 -2.239 14.363 -4.310 1.00 0.00 O ATOM 0 H GLY A 19 -1.383 12.438 -5.056 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.421 13.019 -6.811 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.221 12.222 -5.471 1.00 0.00 H new ATOM 262 N PHE A 20 -4.351 14.823 -4.977 1.00 0.00 N ATOM 263 CA PHE A 20 -4.424 16.080 -4.251 1.00 0.00 C ATOM 264 C PHE A 20 -5.362 15.964 -3.048 1.00 0.00 C ATOM 265 O PHE A 20 -6.571 15.804 -3.211 1.00 0.00 O ATOM 266 CB PHE A 20 -4.984 17.123 -5.220 1.00 0.00 C ATOM 267 CG PHE A 20 -3.955 17.662 -6.217 1.00 0.00 C ATOM 268 CD1 PHE A 20 -2.980 18.511 -5.795 1.00 0.00 C ATOM 269 CD2 PHE A 20 -4.016 17.291 -7.524 1.00 0.00 C ATOM 270 CE1 PHE A 20 -2.025 19.011 -6.720 1.00 0.00 C ATOM 271 CE2 PHE A 20 -3.061 17.791 -8.448 1.00 0.00 C ATOM 272 CZ PHE A 20 -2.086 18.640 -8.027 1.00 0.00 C ATOM 0 H PHE A 20 -5.193 14.582 -5.499 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.436 16.355 -3.882 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.814 16.682 -5.772 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -5.390 17.956 -4.646 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -2.932 18.805 -4.757 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.790 16.617 -7.859 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -1.251 19.686 -6.386 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -3.109 17.497 -9.486 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.360 19.020 -8.731 1.00 0.00 H new ATOM 282 N LEU A 21 -4.769 16.050 -1.866 1.00 0.00 N ATOM 283 CA LEU A 21 -5.537 15.957 -0.635 1.00 0.00 C ATOM 284 C LEU A 21 -5.467 17.293 0.106 1.00 0.00 C ATOM 285 O LEU A 21 -4.693 18.174 -0.266 1.00 0.00 O ATOM 286 CB LEU A 21 -5.067 14.765 0.200 1.00 0.00 C ATOM 287 CG LEU A 21 -5.091 13.404 -0.499 1.00 0.00 C ATOM 288 CD1 LEU A 21 -4.422 12.332 0.363 1.00 0.00 C ATOM 289 CD2 LEU A 21 -6.517 13.015 -0.893 1.00 0.00 C ATOM 0 H LEU A 21 -3.766 16.183 -1.734 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.588 15.768 -0.854 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.049 14.961 0.535 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.690 14.704 1.092 1.00 0.00 H new ATOM 0 HG LEU A 21 -4.513 13.483 -1.420 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.453 11.375 -0.158 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.385 12.610 0.550 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.951 12.246 1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -6.506 12.044 -1.388 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.139 12.960 0.000 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.924 13.764 -1.573 1.00 0.00 H new ATOM 301 N ASP A 22 -6.286 17.402 1.142 1.00 0.00 N ATOM 302 CA ASP A 22 -6.327 18.617 1.939 1.00 0.00 C ATOM 303 C ASP A 22 -6.230 18.252 3.422 1.00 0.00 C ATOM 304 O ASP A 22 -7.240 17.963 4.061 1.00 0.00 O ATOM 305 CB ASP A 22 -7.639 19.373 1.724 1.00 0.00 C ATOM 306 CG ASP A 22 -7.539 20.595 0.808 1.00 0.00 C ATOM 307 OD1 ASP A 22 -7.545 20.383 -0.424 1.00 0.00 O ATOM 308 OD2 ASP A 22 -7.458 21.713 1.362 1.00 0.00 O ATOM 0 H ASP A 22 -6.926 16.669 1.448 1.00 0.00 H new ATOM 0 HA ASP A 22 -5.493 19.249 1.634 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -8.374 18.684 1.307 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.019 19.695 2.694 1.00 0.00 H new ATOM 313 N ILE A 23 -5.004 18.277 3.925 1.00 0.00 N ATOM 314 CA ILE A 23 -4.762 17.952 5.321 1.00 0.00 C ATOM 315 C ILE A 23 -4.952 19.209 6.172 1.00 0.00 C ATOM 316 O ILE A 23 -4.311 20.230 5.930 1.00 0.00 O ATOM 317 CB ILE A 23 -3.389 17.298 5.488 1.00 0.00 C ATOM 318 CG1 ILE A 23 -3.236 16.694 6.885 1.00 0.00 C ATOM 319 CG2 ILE A 23 -2.267 18.287 5.165 1.00 0.00 C ATOM 320 CD1 ILE A 23 -1.806 16.203 7.117 1.00 0.00 C ATOM 0 H ILE A 23 -4.168 18.517 3.391 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.485 17.216 5.672 1.00 0.00 H new ATOM 0 HB ILE A 23 -3.312 16.479 4.773 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.495 17.439 7.637 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.933 15.864 7.005 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.302 17.796 5.292 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.368 18.628 4.135 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -2.331 19.142 5.838 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.725 15.778 8.118 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.559 15.441 6.378 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.114 17.040 7.021 1.00 0.00 H new ATOM 332 N GLU A 24 -5.836 19.092 7.152 1.00 0.00 N ATOM 333 CA GLU A 24 -6.119 20.206 8.042 1.00 0.00 C ATOM 334 C GLU A 24 -4.847 20.634 8.777 1.00 0.00 C ATOM 335 O GLU A 24 -4.084 19.792 9.246 1.00 0.00 O ATOM 336 CB GLU A 24 -7.230 19.850 9.031 1.00 0.00 C ATOM 337 CG GLU A 24 -7.895 21.111 9.587 1.00 0.00 C ATOM 338 CD GLU A 24 -8.428 20.871 11.001 1.00 0.00 C ATOM 339 OE1 GLU A 24 -9.465 20.181 11.107 1.00 0.00 O ATOM 340 OE2 GLU A 24 -7.788 21.384 11.944 1.00 0.00 O ATOM 0 H GLU A 24 -6.366 18.243 7.350 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.469 21.046 7.441 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.977 19.229 8.536 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.817 19.261 9.850 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.176 21.930 9.600 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.712 21.414 8.933 1.00 0.00 H new ATOM 442 N PHE A 32 -7.360 23.938 5.545 1.00 0.00 N ATOM 443 CA PHE A 32 -6.628 22.809 4.997 1.00 0.00 C ATOM 444 C PHE A 32 -5.566 23.276 3.999 1.00 0.00 C ATOM 445 O PHE A 32 -5.803 24.199 3.222 1.00 0.00 O ATOM 446 CB PHE A 32 -7.645 21.930 4.266 1.00 0.00 C ATOM 447 CG PHE A 32 -8.827 21.492 5.134 1.00 0.00 C ATOM 448 CD1 PHE A 32 -9.905 22.309 5.277 1.00 0.00 C ATOM 449 CD2 PHE A 32 -8.799 20.287 5.763 1.00 0.00 C ATOM 450 CE1 PHE A 32 -11.002 21.904 6.082 1.00 0.00 C ATOM 451 CE2 PHE A 32 -9.896 19.881 6.568 1.00 0.00 C ATOM 452 CZ PHE A 32 -10.974 20.698 6.711 1.00 0.00 C ATOM 0 HA PHE A 32 -6.123 22.269 5.798 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.025 22.474 3.401 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.137 21.043 3.887 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.926 23.266 4.778 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -7.943 19.639 5.650 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -11.858 22.553 6.195 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.874 18.923 7.067 1.00 0.00 H new ATOM 0 HZ PHE A 32 -11.808 20.389 7.324 1.00 0.00 H new ATOM 462 N LEU A 33 -4.418 22.617 4.054 1.00 0.00 N ATOM 463 CA LEU A 33 -3.319 22.953 3.165 1.00 0.00 C ATOM 464 C LEU A 33 -3.323 21.996 1.972 1.00 0.00 C ATOM 465 O LEU A 33 -2.982 20.823 2.111 1.00 0.00 O ATOM 466 CB LEU A 33 -1.996 22.973 3.933 1.00 0.00 C ATOM 467 CG LEU A 33 -1.849 24.070 4.989 1.00 0.00 C ATOM 468 CD1 LEU A 33 -0.381 24.458 5.176 1.00 0.00 C ATOM 469 CD2 LEU A 33 -2.723 25.279 4.649 1.00 0.00 C ATOM 0 H LEU A 33 -4.225 21.852 4.700 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.445 23.960 2.767 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.868 22.007 4.421 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.183 23.077 3.214 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.201 23.676 5.942 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.305 25.240 5.932 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.188 23.585 5.497 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.021 24.826 4.232 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.600 26.044 5.416 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.425 25.683 3.682 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.768 24.972 4.607 1.00 0.00 H new ATOM 481 N ARG A 34 -3.714 22.533 0.825 1.00 0.00 N ATOM 482 CA ARG A 34 -3.767 21.742 -0.392 1.00 0.00 C ATOM 483 C ARG A 34 -2.354 21.361 -0.840 1.00 0.00 C ATOM 484 O ARG A 34 -1.598 22.210 -1.309 1.00 0.00 O ATOM 485 CB ARG A 34 -4.462 22.510 -1.519 1.00 0.00 C ATOM 486 CG ARG A 34 -4.401 21.729 -2.833 1.00 0.00 C ATOM 487 CD ARG A 34 -3.589 22.488 -3.884 1.00 0.00 C ATOM 488 NE ARG A 34 -3.793 21.879 -5.218 1.00 0.00 N ATOM 489 CZ ARG A 34 -4.930 21.973 -5.921 1.00 0.00 C ATOM 490 NH1 ARG A 34 -5.971 22.653 -5.422 1.00 0.00 N ATOM 491 NH2 ARG A 34 -5.024 21.389 -7.123 1.00 0.00 N ATOM 0 H ARG A 34 -3.997 23.507 0.713 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.339 20.840 -0.176 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -5.502 22.696 -1.250 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.987 23.483 -1.648 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.953 20.751 -2.658 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.411 21.555 -3.204 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.892 23.535 -3.903 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.531 22.467 -3.623 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.020 21.355 -5.628 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -5.898 23.099 -4.508 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.837 22.725 -5.957 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.230 20.873 -7.503 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.889 21.460 -7.658 1.00 0.00 H new ATOM 505 N ARG A 35 -2.041 20.084 -0.679 1.00 0.00 N ATOM 506 CA ARG A 35 -0.733 19.580 -1.061 1.00 0.00 C ATOM 507 C ARG A 35 -0.867 18.217 -1.742 1.00 0.00 C ATOM 508 O ARG A 35 -1.837 17.496 -1.512 1.00 0.00 O ATOM 509 CB ARG A 35 0.182 19.446 0.158 1.00 0.00 C ATOM 510 CG ARG A 35 0.213 20.744 0.967 1.00 0.00 C ATOM 511 CD ARG A 35 1.157 21.765 0.330 1.00 0.00 C ATOM 512 NE ARG A 35 1.238 22.977 1.176 1.00 0.00 N ATOM 513 CZ ARG A 35 0.350 23.979 1.139 1.00 0.00 C ATOM 514 NH1 ARG A 35 -0.691 23.921 0.297 1.00 0.00 N ATOM 515 NH2 ARG A 35 0.503 25.040 1.943 1.00 0.00 N ATOM 0 H ARG A 35 -2.671 19.383 -0.289 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.292 20.295 -1.756 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.165 18.628 0.789 1.00 0.00 H new ATOM 0 HB3 ARG A 35 1.191 19.192 -0.167 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.792 21.162 1.029 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.534 20.533 1.987 1.00 0.00 H new ATOM 0 HD2 ARG A 35 2.149 21.329 0.209 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.801 22.030 -0.666 1.00 0.00 H new ATOM 0 HE ARG A 35 2.019 23.054 1.828 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.807 23.114 -0.316 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -1.367 24.684 0.269 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.296 25.085 2.583 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -0.173 25.803 1.915 1.00 0.00 H new ATOM 529 N TYR A 36 0.121 17.903 -2.567 1.00 0.00 N ATOM 530 CA TYR A 36 0.126 16.639 -3.284 1.00 0.00 C ATOM 531 C TYR A 36 0.767 15.534 -2.442 1.00 0.00 C ATOM 532 O TYR A 36 1.965 15.573 -2.169 1.00 0.00 O ATOM 533 CB TYR A 36 0.974 16.867 -4.536 1.00 0.00 C ATOM 534 CG TYR A 36 0.677 15.890 -5.675 1.00 0.00 C ATOM 535 CD1 TYR A 36 -0.572 15.874 -6.262 1.00 0.00 C ATOM 536 CD2 TYR A 36 1.658 15.025 -6.116 1.00 0.00 C ATOM 537 CE1 TYR A 36 -0.851 14.954 -7.335 1.00 0.00 C ATOM 538 CE2 TYR A 36 1.379 14.106 -7.188 1.00 0.00 C ATOM 539 CZ TYR A 36 0.138 14.116 -7.745 1.00 0.00 C ATOM 540 OH TYR A 36 -0.126 13.247 -8.758 1.00 0.00 O ATOM 0 H TYR A 36 0.924 18.503 -2.755 1.00 0.00 H new ATOM 0 HA TYR A 36 -0.892 16.328 -3.520 1.00 0.00 H new ATOM 0 HB2 TYR A 36 0.812 17.884 -4.892 1.00 0.00 H new ATOM 0 HB3 TYR A 36 2.028 16.787 -4.268 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -1.340 16.551 -5.917 1.00 0.00 H new ATOM 0 HD2 TYR A 36 2.635 15.038 -5.657 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.824 14.931 -7.803 1.00 0.00 H new ATOM 0 HE2 TYR A 36 2.138 13.424 -7.542 1.00 0.00 H new ATOM 0 HH TYR A 36 -0.153 12.333 -8.406 1.00 0.00 H new ATOM 550 N PHE A 37 -0.061 14.575 -2.053 1.00 0.00 N ATOM 551 CA PHE A 37 0.410 13.461 -1.248 1.00 0.00 C ATOM 552 C PHE A 37 0.772 12.262 -2.128 1.00 0.00 C ATOM 553 O PHE A 37 0.030 11.916 -3.046 1.00 0.00 O ATOM 554 CB PHE A 37 -0.737 13.067 -0.315 1.00 0.00 C ATOM 555 CG PHE A 37 -1.131 14.158 0.682 1.00 0.00 C ATOM 556 CD1 PHE A 37 -1.741 15.291 0.244 1.00 0.00 C ATOM 557 CD2 PHE A 37 -0.871 13.994 2.007 1.00 0.00 C ATOM 558 CE1 PHE A 37 -2.107 16.304 1.169 1.00 0.00 C ATOM 559 CE2 PHE A 37 -1.237 15.007 2.933 1.00 0.00 C ATOM 560 CZ PHE A 37 -1.847 16.141 2.494 1.00 0.00 C ATOM 0 H PHE A 37 -1.055 14.547 -2.280 1.00 0.00 H new ATOM 0 HA PHE A 37 1.302 13.753 -0.695 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.608 12.807 -0.917 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.452 12.171 0.236 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.947 15.421 -0.808 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.386 13.094 2.355 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.592 17.204 0.821 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.031 14.877 3.985 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.125 16.912 3.198 1.00 0.00 H new ATOM 570 N ILE A 38 1.911 11.662 -1.816 1.00 0.00 N ATOM 571 CA ILE A 38 2.379 10.509 -2.566 1.00 0.00 C ATOM 572 C ILE A 38 2.757 9.391 -1.593 1.00 0.00 C ATOM 573 O ILE A 38 3.716 9.521 -0.835 1.00 0.00 O ATOM 574 CB ILE A 38 3.513 10.911 -3.512 1.00 0.00 C ATOM 575 CG1 ILE A 38 2.961 11.502 -4.810 1.00 0.00 C ATOM 576 CG2 ILE A 38 4.453 9.732 -3.773 1.00 0.00 C ATOM 577 CD1 ILE A 38 4.045 12.274 -5.566 1.00 0.00 C ATOM 0 H ILE A 38 2.524 11.953 -1.054 1.00 0.00 H new ATOM 0 HA ILE A 38 1.585 10.121 -3.203 1.00 0.00 H new ATOM 0 HB ILE A 38 4.101 11.691 -3.028 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.572 10.703 -5.441 1.00 0.00 H new ATOM 0 HG13 ILE A 38 2.126 12.166 -4.585 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.250 10.044 -4.448 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.886 9.397 -2.831 1.00 0.00 H new ATOM 0 HG23 ILE A 38 3.893 8.914 -4.226 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.626 12.684 -6.485 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.415 13.087 -4.942 1.00 0.00 H new ATOM 0 HD13 ILE A 38 4.867 11.601 -5.811 1.00 0.00 H new ATOM 589 N LEU A 39 1.982 8.318 -1.646 1.00 0.00 N ATOM 590 CA LEU A 39 2.223 7.177 -0.778 1.00 0.00 C ATOM 591 C LEU A 39 3.446 6.409 -1.281 1.00 0.00 C ATOM 592 O LEU A 39 3.353 5.648 -2.243 1.00 0.00 O ATOM 593 CB LEU A 39 0.963 6.318 -0.659 1.00 0.00 C ATOM 594 CG LEU A 39 0.898 5.386 0.552 1.00 0.00 C ATOM 595 CD1 LEU A 39 0.959 6.180 1.859 1.00 0.00 C ATOM 596 CD2 LEU A 39 -0.338 4.486 0.486 1.00 0.00 C ATOM 0 H LEU A 39 1.187 8.214 -2.276 1.00 0.00 H new ATOM 0 HA LEU A 39 2.450 7.510 0.235 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.098 6.980 -0.630 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.872 5.714 -1.562 1.00 0.00 H new ATOM 0 HG LEU A 39 1.772 4.735 0.529 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.911 5.494 2.704 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.892 6.742 1.900 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.117 6.871 1.905 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.360 3.833 1.359 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.237 5.103 0.471 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.299 3.880 -0.419 1.00 0.00 H new ATOM 608 N ASP A 40 4.565 6.633 -0.608 1.00 0.00 N ATOM 609 CA ASP A 40 5.805 5.971 -0.975 1.00 0.00 C ATOM 610 C ASP A 40 6.003 4.741 -0.087 1.00 0.00 C ATOM 611 O ASP A 40 6.202 4.867 1.120 1.00 0.00 O ATOM 612 CB ASP A 40 7.005 6.898 -0.772 1.00 0.00 C ATOM 613 CG ASP A 40 7.057 7.603 0.585 1.00 0.00 C ATOM 614 OD1 ASP A 40 7.648 7.007 1.512 1.00 0.00 O ATOM 615 OD2 ASP A 40 6.504 8.721 0.665 1.00 0.00 O ATOM 0 H ASP A 40 4.639 7.264 0.190 1.00 0.00 H new ATOM 0 HA ASP A 40 5.739 5.691 -2.026 1.00 0.00 H new ATOM 0 HB2 ASP A 40 7.919 6.317 -0.898 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.997 7.654 -1.557 1.00 0.00 H new ATOM 620 N THR A 41 5.943 3.578 -0.720 1.00 0.00 N ATOM 621 CA THR A 41 6.113 2.326 -0.003 1.00 0.00 C ATOM 622 C THR A 41 7.599 2.042 0.229 1.00 0.00 C ATOM 623 O THR A 41 8.012 1.758 1.353 1.00 0.00 O ATOM 624 CB THR A 41 5.401 1.227 -0.794 1.00 0.00 C ATOM 625 OG1 THR A 41 6.291 0.942 -1.870 1.00 0.00 O ATOM 626 CG2 THR A 41 4.132 1.732 -1.484 1.00 0.00 C ATOM 0 H THR A 41 5.779 3.477 -1.722 1.00 0.00 H new ATOM 0 HA THR A 41 5.664 2.375 0.989 1.00 0.00 H new ATOM 0 HB THR A 41 5.148 0.404 -0.126 1.00 0.00 H new ATOM 0 HG1 THR A 41 6.914 0.236 -1.600 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.665 0.913 -2.031 1.00 0.00 H new ATOM 0 HG22 THR A 41 3.437 2.111 -0.735 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.389 2.532 -2.178 1.00 0.00 H new ATOM 634 N GLN A 42 8.361 2.129 -0.851 1.00 0.00 N ATOM 635 CA GLN A 42 9.791 1.885 -0.779 1.00 0.00 C ATOM 636 C GLN A 42 10.408 2.677 0.376 1.00 0.00 C ATOM 637 O GLN A 42 11.306 2.187 1.059 1.00 0.00 O ATOM 638 CB GLN A 42 10.473 2.229 -2.105 1.00 0.00 C ATOM 639 CG GLN A 42 9.908 1.384 -3.248 1.00 0.00 C ATOM 640 CD GLN A 42 10.864 0.247 -3.614 1.00 0.00 C ATOM 641 OE1 GLN A 42 12.030 0.241 -3.254 1.00 0.00 O ATOM 642 NE2 GLN A 42 10.307 -0.713 -4.348 1.00 0.00 N ATOM 0 H GLN A 42 8.015 2.365 -1.781 1.00 0.00 H new ATOM 0 HA GLN A 42 9.949 0.823 -0.591 1.00 0.00 H new ATOM 0 HB2 GLN A 42 10.333 3.287 -2.326 1.00 0.00 H new ATOM 0 HB3 GLN A 42 11.547 2.061 -2.020 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.942 0.972 -2.957 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.736 2.014 -4.120 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.325 -0.646 -4.615 1.00 0.00 H new ATOM 0 HE22 GLN A 42 10.862 -1.516 -4.644 1.00 0.00 H new ATOM 651 N ALA A 43 9.900 3.887 0.559 1.00 0.00 N ATOM 652 CA ALA A 43 10.390 4.751 1.620 1.00 0.00 C ATOM 653 C ALA A 43 9.724 4.357 2.940 1.00 0.00 C ATOM 654 O ALA A 43 10.302 4.543 4.010 1.00 0.00 O ATOM 655 CB ALA A 43 10.129 6.212 1.249 1.00 0.00 C ATOM 0 H ALA A 43 9.155 4.289 -0.009 1.00 0.00 H new ATOM 0 HA ALA A 43 11.466 4.633 1.745 1.00 0.00 H new ATOM 0 HB1 ALA A 43 10.496 6.861 2.044 1.00 0.00 H new ATOM 0 HB2 ALA A 43 10.646 6.449 0.319 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.058 6.369 1.119 1.00 0.00 H new ATOM 661 N ASN A 44 8.519 3.821 2.821 1.00 0.00 N ATOM 662 CA ASN A 44 7.769 3.399 3.992 1.00 0.00 C ATOM 663 C ASN A 44 7.395 4.628 4.823 1.00 0.00 C ATOM 664 O ASN A 44 7.349 4.562 6.050 1.00 0.00 O ATOM 665 CB ASN A 44 8.602 2.468 4.874 1.00 0.00 C ATOM 666 CG ASN A 44 7.713 1.700 5.855 1.00 0.00 C ATOM 667 OD1 ASN A 44 6.610 1.286 5.539 1.00 0.00 O ATOM 668 ND2 ASN A 44 8.254 1.533 7.058 1.00 0.00 N ATOM 0 H ASN A 44 8.043 3.669 1.932 1.00 0.00 H new ATOM 0 HA ASN A 44 6.879 2.871 3.650 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.152 1.765 4.249 1.00 0.00 H new ATOM 0 HB3 ASN A 44 9.341 3.049 5.426 1.00 0.00 H new ATOM 0 HD21 ASN A 44 7.740 1.032 7.783 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.183 1.906 7.256 1.00 0.00 H new ATOM 675 N CYS A 45 7.138 5.722 4.121 1.00 0.00 N ATOM 676 CA CYS A 45 6.770 6.964 4.778 1.00 0.00 C ATOM 677 C CYS A 45 5.819 7.732 3.857 1.00 0.00 C ATOM 678 O CYS A 45 5.600 7.333 2.714 1.00 0.00 O ATOM 679 CB CYS A 45 8.001 7.795 5.148 1.00 0.00 C ATOM 680 SG CYS A 45 9.315 6.706 5.809 1.00 0.00 S ATOM 0 H CYS A 45 7.177 5.774 3.103 1.00 0.00 H new ATOM 0 HA CYS A 45 6.265 6.744 5.719 1.00 0.00 H new ATOM 0 HB2 CYS A 45 8.367 8.329 4.271 1.00 0.00 H new ATOM 0 HB3 CYS A 45 7.733 8.547 5.890 1.00 0.00 H new ATOM 0 HG CYS A 45 9.155 6.562 7.091 1.00 0.00 H new ATOM 686 N LEU A 46 5.281 8.819 4.389 1.00 0.00 N ATOM 687 CA LEU A 46 4.359 9.646 3.629 1.00 0.00 C ATOM 688 C LEU A 46 4.972 11.034 3.428 1.00 0.00 C ATOM 689 O LEU A 46 5.384 11.680 4.390 1.00 0.00 O ATOM 690 CB LEU A 46 2.985 9.673 4.301 1.00 0.00 C ATOM 691 CG LEU A 46 1.854 10.308 3.489 1.00 0.00 C ATOM 692 CD1 LEU A 46 2.256 11.692 2.977 1.00 0.00 C ATOM 693 CD2 LEU A 46 1.408 9.384 2.354 1.00 0.00 C ATOM 0 H LEU A 46 5.466 9.147 5.337 1.00 0.00 H new ATOM 0 HA LEU A 46 4.196 9.222 2.638 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.701 8.649 4.544 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.075 10.211 5.245 1.00 0.00 H new ATOM 0 HG LEU A 46 0.997 10.446 4.148 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.434 12.121 2.403 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.485 12.340 3.823 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.136 11.603 2.340 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.603 9.859 1.793 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.250 9.192 1.689 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.052 8.442 2.771 1.00 0.00 H new ATOM 705 N LEU A 47 5.014 11.451 2.171 1.00 0.00 N ATOM 706 CA LEU A 47 5.570 12.749 1.831 1.00 0.00 C ATOM 707 C LEU A 47 4.616 13.475 0.880 1.00 0.00 C ATOM 708 O LEU A 47 4.262 12.945 -0.173 1.00 0.00 O ATOM 709 CB LEU A 47 6.990 12.597 1.281 1.00 0.00 C ATOM 710 CG LEU A 47 7.857 11.528 1.950 1.00 0.00 C ATOM 711 CD1 LEU A 47 8.774 10.850 0.930 1.00 0.00 C ATOM 712 CD2 LEU A 47 8.641 12.114 3.125 1.00 0.00 C ATOM 0 H LEU A 47 4.672 10.912 1.375 1.00 0.00 H new ATOM 0 HA LEU A 47 5.664 13.368 2.723 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.924 12.370 0.217 1.00 0.00 H new ATOM 0 HB3 LEU A 47 7.498 13.557 1.371 1.00 0.00 H new ATOM 0 HG LEU A 47 7.200 10.758 2.354 1.00 0.00 H new ATOM 0 HD11 LEU A 47 9.380 10.095 1.431 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.170 10.376 0.156 1.00 0.00 H new ATOM 0 HD13 LEU A 47 9.427 11.595 0.475 1.00 0.00 H new ATOM 0 HD21 LEU A 47 9.249 11.333 3.582 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.288 12.915 2.767 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.946 12.512 3.864 1.00 0.00 H new ATOM 724 N TRP A 48 4.228 14.675 1.284 1.00 0.00 N ATOM 725 CA TRP A 48 3.322 15.478 0.480 1.00 0.00 C ATOM 726 C TRP A 48 4.074 16.734 0.034 1.00 0.00 C ATOM 727 O TRP A 48 4.719 17.397 0.845 1.00 0.00 O ATOM 728 CB TRP A 48 2.038 15.792 1.250 1.00 0.00 C ATOM 729 CG TRP A 48 2.257 16.630 2.511 1.00 0.00 C ATOM 730 CD1 TRP A 48 2.378 17.961 2.607 1.00 0.00 C ATOM 731 CD2 TRP A 48 2.377 16.135 3.862 1.00 0.00 C ATOM 732 NE1 TRP A 48 2.567 18.359 3.915 1.00 0.00 N ATOM 733 CE2 TRP A 48 2.566 17.214 4.702 1.00 0.00 C ATOM 734 CE3 TRP A 48 2.327 14.821 4.357 1.00 0.00 C ATOM 735 CZ2 TRP A 48 2.720 17.088 6.088 1.00 0.00 C ATOM 736 CZ3 TRP A 48 2.484 14.712 5.744 1.00 0.00 C ATOM 737 CH2 TRP A 48 2.675 15.787 6.604 1.00 0.00 C ATOM 0 H TRP A 48 4.524 15.111 2.157 1.00 0.00 H new ATOM 0 HA TRP A 48 3.003 14.930 -0.406 1.00 0.00 H new ATOM 0 HB2 TRP A 48 1.351 16.321 0.590 1.00 0.00 H new ATOM 0 HB3 TRP A 48 1.555 14.855 1.528 1.00 0.00 H new ATOM 0 HD1 TRP A 48 2.333 18.638 1.766 1.00 0.00 H new ATOM 0 HE1 TRP A 48 2.686 19.317 4.243 1.00 0.00 H new ATOM 0 HE3 TRP A 48 2.179 13.963 3.718 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 2.866 17.948 6.725 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 2.455 13.723 6.176 1.00 0.00 H new ATOM 0 HH2 TRP A 48 2.788 15.620 7.665 1.00 0.00 H new ATOM 748 N TYR A 49 3.965 17.023 -1.255 1.00 0.00 N ATOM 749 CA TYR A 49 4.626 18.188 -1.818 1.00 0.00 C ATOM 750 C TYR A 49 3.605 19.238 -2.261 1.00 0.00 C ATOM 751 O TYR A 49 2.489 18.897 -2.653 1.00 0.00 O ATOM 752 CB TYR A 49 5.389 17.687 -3.046 1.00 0.00 C ATOM 753 CG TYR A 49 5.984 16.287 -2.880 1.00 0.00 C ATOM 754 CD1 TYR A 49 6.407 15.859 -1.638 1.00 0.00 C ATOM 755 CD2 TYR A 49 6.097 15.451 -3.973 1.00 0.00 C ATOM 756 CE1 TYR A 49 6.967 14.542 -1.482 1.00 0.00 C ATOM 757 CE2 TYR A 49 6.656 14.133 -3.817 1.00 0.00 C ATOM 758 CZ TYR A 49 7.064 13.744 -2.579 1.00 0.00 C ATOM 759 OH TYR A 49 7.592 12.499 -2.432 1.00 0.00 O ATOM 0 H TYR A 49 3.429 16.471 -1.925 1.00 0.00 H new ATOM 0 HA TYR A 49 5.280 18.652 -1.079 1.00 0.00 H new ATOM 0 HB2 TYR A 49 4.716 17.685 -3.904 1.00 0.00 H new ATOM 0 HB3 TYR A 49 6.193 18.388 -3.273 1.00 0.00 H new ATOM 0 HD1 TYR A 49 6.318 16.512 -0.783 1.00 0.00 H new ATOM 0 HD2 TYR A 49 5.766 15.786 -4.945 1.00 0.00 H new ATOM 0 HE1 TYR A 49 7.303 14.196 -0.516 1.00 0.00 H new ATOM 0 HE2 TYR A 49 6.749 13.469 -4.663 1.00 0.00 H new ATOM 0 HH TYR A 49 7.598 12.042 -3.299 1.00 0.00 H new ATOM 769 N MET A 50 4.022 20.493 -2.184 1.00 0.00 N ATOM 770 CA MET A 50 3.158 21.594 -2.572 1.00 0.00 C ATOM 771 C MET A 50 2.390 21.263 -3.853 1.00 0.00 C ATOM 772 O MET A 50 1.256 21.706 -4.034 1.00 0.00 O ATOM 773 CB MET A 50 4.001 22.852 -2.792 1.00 0.00 C ATOM 774 CG MET A 50 4.328 23.533 -1.461 1.00 0.00 C ATOM 775 SD MET A 50 4.043 25.290 -1.588 1.00 0.00 S ATOM 776 CE MET A 50 2.283 25.341 -1.293 1.00 0.00 C ATOM 0 H MET A 50 4.948 20.772 -1.858 1.00 0.00 H new ATOM 0 HA MET A 50 2.437 21.765 -1.772 1.00 0.00 H new ATOM 0 HB2 MET A 50 4.925 22.589 -3.307 1.00 0.00 H new ATOM 0 HB3 MET A 50 3.463 23.546 -3.437 1.00 0.00 H new ATOM 0 HG2 MET A 50 3.711 23.113 -0.667 1.00 0.00 H new ATOM 0 HG3 MET A 50 5.367 23.343 -1.192 1.00 0.00 H new ATOM 0 HE1 MET A 50 1.807 25.975 -2.041 1.00 0.00 H new ATOM 0 HE2 MET A 50 1.874 24.333 -1.358 1.00 0.00 H new ATOM 0 HE3 MET A 50 2.092 25.747 -0.299 1.00 0.00 H new ATOM 786 N ASP A 51 3.038 20.488 -4.710 1.00 0.00 N ATOM 787 CA ASP A 51 2.430 20.093 -5.969 1.00 0.00 C ATOM 788 C ASP A 51 3.178 18.884 -6.535 1.00 0.00 C ATOM 789 O ASP A 51 4.245 18.523 -6.041 1.00 0.00 O ATOM 790 CB ASP A 51 2.510 21.222 -6.998 1.00 0.00 C ATOM 791 CG ASP A 51 1.165 21.833 -7.395 1.00 0.00 C ATOM 792 OD1 ASP A 51 0.301 21.055 -7.854 1.00 0.00 O ATOM 793 OD2 ASP A 51 1.030 23.065 -7.230 1.00 0.00 O ATOM 0 H ASP A 51 3.978 20.123 -4.557 1.00 0.00 H new ATOM 0 HA ASP A 51 1.384 19.853 -5.777 1.00 0.00 H new ATOM 0 HB2 ASP A 51 3.147 22.012 -6.600 1.00 0.00 H new ATOM 0 HB3 ASP A 51 2.998 20.841 -7.895 1.00 0.00 H new ATOM 936 N VAL A 63 6.838 19.208 1.628 1.00 0.00 N ATOM 937 CA VAL A 63 6.324 20.210 2.546 1.00 0.00 C ATOM 938 C VAL A 63 6.354 19.653 3.971 1.00 0.00 C ATOM 939 O VAL A 63 6.545 20.400 4.929 1.00 0.00 O ATOM 940 CB VAL A 63 4.928 20.655 2.107 1.00 0.00 C ATOM 941 CG1 VAL A 63 4.623 22.070 2.601 1.00 0.00 C ATOM 942 CG2 VAL A 63 4.774 20.559 0.588 1.00 0.00 C ATOM 0 HA VAL A 63 6.953 21.100 2.532 1.00 0.00 H new ATOM 0 HB VAL A 63 4.203 19.979 2.560 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.625 22.362 2.275 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.671 22.093 3.690 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.356 22.765 2.191 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.773 20.881 0.303 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.512 21.200 0.106 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.927 19.527 0.271 1.00 0.00 H new ATOM 952 N GLY A 64 6.163 18.345 4.065 1.00 0.00 N ATOM 953 CA GLY A 64 6.165 17.680 5.356 1.00 0.00 C ATOM 954 C GLY A 64 6.612 16.223 5.221 1.00 0.00 C ATOM 955 O GLY A 64 7.417 15.894 4.351 1.00 0.00 O ATOM 0 H GLY A 64 6.006 17.728 3.268 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.831 18.207 6.039 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.166 17.719 5.791 1.00 0.00 H new ATOM 959 N SER A 65 6.072 15.388 6.097 1.00 0.00 N ATOM 960 CA SER A 65 6.405 13.973 6.086 1.00 0.00 C ATOM 961 C SER A 65 5.621 13.243 7.179 1.00 0.00 C ATOM 962 O SER A 65 5.243 13.844 8.183 1.00 0.00 O ATOM 963 CB SER A 65 7.908 13.760 6.278 1.00 0.00 C ATOM 964 OG SER A 65 8.382 14.355 7.483 1.00 0.00 O ATOM 0 H SER A 65 5.406 15.664 6.819 1.00 0.00 H new ATOM 0 HA SER A 65 6.129 13.563 5.114 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.124 12.692 6.292 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.445 14.183 5.429 1.00 0.00 H new ATOM 0 HG SER A 65 9.345 14.196 7.570 1.00 0.00 H new ATOM 970 N LEU A 66 5.401 11.957 6.945 1.00 0.00 N ATOM 971 CA LEU A 66 4.669 11.139 7.897 1.00 0.00 C ATOM 972 C LEU A 66 5.155 9.691 7.798 1.00 0.00 C ATOM 973 O LEU A 66 4.712 8.942 6.929 1.00 0.00 O ATOM 974 CB LEU A 66 3.161 11.297 7.692 1.00 0.00 C ATOM 975 CG LEU A 66 2.395 11.966 8.834 1.00 0.00 C ATOM 976 CD1 LEU A 66 0.913 12.117 8.486 1.00 0.00 C ATOM 977 CD2 LEU A 66 2.601 11.210 10.149 1.00 0.00 C ATOM 0 H LEU A 66 5.717 11.462 6.111 1.00 0.00 H new ATOM 0 HA LEU A 66 4.865 11.473 8.916 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.997 11.876 6.783 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.732 10.309 7.523 1.00 0.00 H new ATOM 0 HG LEU A 66 2.797 12.970 8.973 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.392 12.595 9.315 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.810 12.730 7.590 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.480 11.133 8.304 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.046 11.706 10.945 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.242 10.186 10.040 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.662 11.198 10.400 1.00 0.00 H new ATOM 989 N GLN A 67 6.060 9.341 8.700 1.00 0.00 N ATOM 990 CA GLN A 67 6.611 7.997 8.725 1.00 0.00 C ATOM 991 C GLN A 67 5.500 6.973 8.965 1.00 0.00 C ATOM 992 O GLN A 67 4.671 7.148 9.857 1.00 0.00 O ATOM 993 CB GLN A 67 7.708 7.874 9.784 1.00 0.00 C ATOM 994 CG GLN A 67 8.819 8.898 9.544 1.00 0.00 C ATOM 995 CD GLN A 67 9.805 8.400 8.486 1.00 0.00 C ATOM 996 OE1 GLN A 67 10.153 7.232 8.426 1.00 0.00 O ATOM 997 NE2 GLN A 67 10.236 9.348 7.659 1.00 0.00 N ATOM 0 H GLN A 67 6.426 9.965 9.419 1.00 0.00 H new ATOM 0 HA GLN A 67 7.064 7.792 7.755 1.00 0.00 H new ATOM 0 HB2 GLN A 67 7.280 8.022 10.775 1.00 0.00 H new ATOM 0 HB3 GLN A 67 8.126 6.867 9.765 1.00 0.00 H new ATOM 0 HG2 GLN A 67 8.383 9.844 9.223 1.00 0.00 H new ATOM 0 HG3 GLN A 67 9.348 9.091 10.477 1.00 0.00 H new ATOM 0 HE21 GLN A 67 9.904 10.307 7.765 1.00 0.00 H new ATOM 0 HE22 GLN A 67 10.898 9.116 6.919 1.00 0.00 H new ATOM 1006 N LEU A 68 5.519 5.926 8.153 1.00 0.00 N ATOM 1007 CA LEU A 68 4.523 4.873 8.266 1.00 0.00 C ATOM 1008 C LEU A 68 4.644 4.208 9.638 1.00 0.00 C ATOM 1009 O LEU A 68 3.733 3.505 10.074 1.00 0.00 O ATOM 1010 CB LEU A 68 4.643 3.895 7.096 1.00 0.00 C ATOM 1011 CG LEU A 68 4.292 4.455 5.715 1.00 0.00 C ATOM 1012 CD1 LEU A 68 4.169 3.332 4.684 1.00 0.00 C ATOM 1013 CD2 LEU A 68 3.029 5.317 5.778 1.00 0.00 C ATOM 0 H LEU A 68 6.208 5.784 7.414 1.00 0.00 H new ATOM 0 HA LEU A 68 3.518 5.290 8.201 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.666 3.520 7.065 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.996 3.040 7.295 1.00 0.00 H new ATOM 0 HG LEU A 68 5.107 5.102 5.391 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.919 3.757 3.712 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.116 2.797 4.614 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.384 2.641 4.991 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.802 5.703 4.784 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.194 4.713 6.133 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.191 6.150 6.462 1.00 0.00 H new ATOM 1025 N THR A 69 5.776 4.453 10.282 1.00 0.00 N ATOM 1026 CA THR A 69 6.028 3.886 11.596 1.00 0.00 C ATOM 1027 C THR A 69 5.033 4.443 12.616 1.00 0.00 C ATOM 1028 O THR A 69 4.775 3.816 13.643 1.00 0.00 O ATOM 1029 CB THR A 69 7.489 4.162 11.958 1.00 0.00 C ATOM 1030 OG1 THR A 69 7.592 5.583 11.926 1.00 0.00 O ATOM 1031 CG2 THR A 69 8.460 3.694 10.872 1.00 0.00 C ATOM 0 H THR A 69 6.529 5.037 9.918 1.00 0.00 H new ATOM 0 HA THR A 69 5.877 2.807 11.597 1.00 0.00 H new ATOM 0 HB THR A 69 7.730 3.666 12.898 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.508 5.850 12.151 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.483 3.914 11.179 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.349 2.620 10.723 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.241 4.215 9.940 1.00 0.00 H new ATOM 1039 N TYR A 70 4.502 5.614 12.298 1.00 0.00 N ATOM 1040 CA TYR A 70 3.541 6.263 13.175 1.00 0.00 C ATOM 1041 C TYR A 70 2.128 5.731 12.928 1.00 0.00 C ATOM 1042 O TYR A 70 1.463 5.274 13.856 1.00 0.00 O ATOM 1043 CB TYR A 70 3.583 7.750 12.819 1.00 0.00 C ATOM 1044 CG TYR A 70 4.761 8.506 13.437 1.00 0.00 C ATOM 1045 CD1 TYR A 70 6.040 8.002 13.322 1.00 0.00 C ATOM 1046 CD2 TYR A 70 4.543 9.691 14.110 1.00 0.00 C ATOM 1047 CE1 TYR A 70 7.149 8.713 13.905 1.00 0.00 C ATOM 1048 CE2 TYR A 70 5.652 10.402 14.693 1.00 0.00 C ATOM 1049 CZ TYR A 70 6.900 9.878 14.561 1.00 0.00 C ATOM 1050 OH TYR A 70 7.947 10.549 15.111 1.00 0.00 O ATOM 0 H TYR A 70 4.718 6.131 11.446 1.00 0.00 H new ATOM 0 HA TYR A 70 3.787 6.076 14.220 1.00 0.00 H new ATOM 0 HB2 TYR A 70 3.628 7.852 11.735 1.00 0.00 H new ATOM 0 HB3 TYR A 70 2.654 8.217 13.145 1.00 0.00 H new ATOM 0 HD1 TYR A 70 6.210 7.075 12.795 1.00 0.00 H new ATOM 0 HD2 TYR A 70 3.541 10.085 14.200 1.00 0.00 H new ATOM 0 HE1 TYR A 70 8.155 8.330 13.823 1.00 0.00 H new ATOM 0 HE2 TYR A 70 5.496 11.330 15.223 1.00 0.00 H new ATOM 0 HH TYR A 70 7.621 11.364 15.547 1.00 0.00 H new ATOM 1060 N ILE A 71 1.712 5.808 11.673 1.00 0.00 N ATOM 1061 CA ILE A 71 0.390 5.340 11.293 1.00 0.00 C ATOM 1062 C ILE A 71 0.165 3.940 11.867 1.00 0.00 C ATOM 1063 O ILE A 71 1.066 3.103 11.845 1.00 0.00 O ATOM 1064 CB ILE A 71 0.209 5.418 9.776 1.00 0.00 C ATOM 1065 CG1 ILE A 71 0.313 6.864 9.285 1.00 0.00 C ATOM 1066 CG2 ILE A 71 -1.103 4.759 9.345 1.00 0.00 C ATOM 1067 CD1 ILE A 71 1.624 7.095 8.532 1.00 0.00 C ATOM 0 H ILE A 71 2.267 6.187 10.906 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.379 5.987 11.716 1.00 0.00 H new ATOM 0 HB ILE A 71 1.019 4.859 9.306 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.530 7.092 8.633 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.252 7.545 10.134 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -1.207 4.829 8.262 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -1.098 3.710 9.642 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -1.940 5.268 9.823 1.00 0.00 H new ATOM 0 HD11 ILE A 71 1.672 8.130 8.194 1.00 0.00 H new ATOM 0 HD12 ILE A 71 2.465 6.890 9.194 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.671 6.430 7.670 1.00 0.00 H new ATOM 1079 N SER A 72 -1.044 3.727 12.368 1.00 0.00 N ATOM 1080 CA SER A 72 -1.399 2.443 12.947 1.00 0.00 C ATOM 1081 C SER A 72 -2.633 1.875 12.244 1.00 0.00 C ATOM 1082 O SER A 72 -2.692 0.682 11.951 1.00 0.00 O ATOM 1083 CB SER A 72 -1.655 2.568 14.450 1.00 0.00 C ATOM 1084 OG SER A 72 -0.465 2.383 15.212 1.00 0.00 O ATOM 0 H SER A 72 -1.790 4.423 12.384 1.00 0.00 H new ATOM 0 HA SER A 72 -0.561 1.761 12.804 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.074 3.551 14.666 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.398 1.831 14.754 1.00 0.00 H new ATOM 0 HG SER A 72 -0.670 2.472 16.166 1.00 0.00 H new ATOM 1090 N LYS A 73 -3.590 2.757 11.993 1.00 0.00 N ATOM 1091 CA LYS A 73 -4.820 2.358 11.329 1.00 0.00 C ATOM 1092 C LYS A 73 -5.367 3.540 10.527 1.00 0.00 C ATOM 1093 O LYS A 73 -5.196 4.694 10.918 1.00 0.00 O ATOM 1094 CB LYS A 73 -5.815 1.789 12.343 1.00 0.00 C ATOM 1095 CG LYS A 73 -7.241 1.820 11.788 1.00 0.00 C ATOM 1096 CD LYS A 73 -8.073 0.666 12.351 1.00 0.00 C ATOM 1097 CE LYS A 73 -8.698 1.046 13.694 1.00 0.00 C ATOM 1098 NZ LYS A 73 -8.292 0.086 14.745 1.00 0.00 N ATOM 0 H LYS A 73 -3.539 3.746 12.237 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.627 1.553 10.620 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -5.540 0.764 12.592 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.768 2.365 13.267 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.713 2.770 12.040 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -7.213 1.756 10.700 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.858 0.399 11.643 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -7.443 -0.215 12.475 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -8.389 2.053 13.974 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.784 1.059 13.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -8.725 0.359 15.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -8.609 -0.869 14.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -7.256 0.093 14.841 1.00 0.00 H new ATOM 1112 N VAL A 74 -6.015 3.212 9.419 1.00 0.00 N ATOM 1113 CA VAL A 74 -6.589 4.233 8.558 1.00 0.00 C ATOM 1114 C VAL A 74 -8.065 3.913 8.309 1.00 0.00 C ATOM 1115 O VAL A 74 -8.388 3.063 7.479 1.00 0.00 O ATOM 1116 CB VAL A 74 -5.776 4.346 7.267 1.00 0.00 C ATOM 1117 CG1 VAL A 74 -6.288 5.495 6.395 1.00 0.00 C ATOM 1118 CG2 VAL A 74 -4.285 4.511 7.571 1.00 0.00 C ATOM 0 H VAL A 74 -6.155 2.254 9.097 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.545 5.209 9.041 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.904 3.419 6.708 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.693 5.553 5.484 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.332 5.318 6.136 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -6.204 6.433 6.944 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.730 4.589 6.636 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.132 5.415 8.161 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.930 3.647 8.133 1.00 0.00 H new ATOM 1128 N SER A 75 -8.920 4.610 9.041 1.00 0.00 N ATOM 1129 CA SER A 75 -10.354 4.410 8.910 1.00 0.00 C ATOM 1130 C SER A 75 -11.026 5.715 8.476 1.00 0.00 C ATOM 1131 O SER A 75 -10.441 6.790 8.600 1.00 0.00 O ATOM 1132 CB SER A 75 -10.963 3.910 10.222 1.00 0.00 C ATOM 1133 OG SER A 75 -12.375 3.749 10.127 1.00 0.00 O ATOM 0 H SER A 75 -8.648 5.314 9.727 1.00 0.00 H new ATOM 0 HA SER A 75 -10.525 3.649 8.149 1.00 0.00 H new ATOM 0 HB2 SER A 75 -10.507 2.958 10.494 1.00 0.00 H new ATOM 0 HB3 SER A 75 -10.731 4.614 11.021 1.00 0.00 H new ATOM 0 HG SER A 75 -12.726 3.427 10.984 1.00 0.00 H new ATOM 1139 N ILE A 76 -12.245 5.577 7.976 1.00 0.00 N ATOM 1140 CA ILE A 76 -13.003 6.731 7.523 1.00 0.00 C ATOM 1141 C ILE A 76 -13.525 7.501 8.737 1.00 0.00 C ATOM 1142 O ILE A 76 -14.239 6.944 9.570 1.00 0.00 O ATOM 1143 CB ILE A 76 -14.101 6.301 6.548 1.00 0.00 C ATOM 1144 CG1 ILE A 76 -13.538 5.389 5.456 1.00 0.00 C ATOM 1145 CG2 ILE A 76 -14.822 7.518 5.963 1.00 0.00 C ATOM 1146 CD1 ILE A 76 -12.382 6.067 4.717 1.00 0.00 C ATOM 0 H ILE A 76 -12.727 4.684 7.875 1.00 0.00 H new ATOM 0 HA ILE A 76 -12.362 7.413 6.964 1.00 0.00 H new ATOM 0 HB ILE A 76 -14.841 5.723 7.101 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -13.193 4.455 5.900 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -14.327 5.133 4.748 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -15.597 7.185 5.273 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -15.276 8.094 6.769 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -14.106 8.143 5.429 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -12.000 5.397 3.946 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -12.736 6.988 4.254 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -11.585 6.299 5.423 1.00 0.00 H new ATOM 1158 N ALA A 77 -13.150 8.770 8.799 1.00 0.00 N ATOM 1159 CA ALA A 77 -13.572 9.622 9.898 1.00 0.00 C ATOM 1160 C ALA A 77 -15.032 9.320 10.240 1.00 0.00 C ATOM 1161 O ALA A 77 -15.901 9.374 9.371 1.00 0.00 O ATOM 1162 CB ALA A 77 -13.353 11.089 9.520 1.00 0.00 C ATOM 0 H ALA A 77 -12.559 9.229 8.106 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.977 9.422 10.789 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -13.669 11.728 10.344 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.296 11.258 9.315 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -13.937 11.327 8.631 1.00 0.00 H new ATOM 1321 N PHE A 87 -16.114 12.381 1.687 1.00 0.00 N ATOM 1322 CA PHE A 87 -14.998 11.463 1.537 1.00 0.00 C ATOM 1323 C PHE A 87 -13.774 11.954 2.314 1.00 0.00 C ATOM 1324 O PHE A 87 -12.863 12.544 1.735 1.00 0.00 O ATOM 1325 CB PHE A 87 -14.655 11.415 0.047 1.00 0.00 C ATOM 1326 CG PHE A 87 -15.843 11.701 -0.874 1.00 0.00 C ATOM 1327 CD1 PHE A 87 -16.875 10.818 -0.948 1.00 0.00 C ATOM 1328 CD2 PHE A 87 -15.867 12.839 -1.619 1.00 0.00 C ATOM 1329 CE1 PHE A 87 -17.977 11.084 -1.803 1.00 0.00 C ATOM 1330 CE2 PHE A 87 -16.969 13.105 -2.474 1.00 0.00 C ATOM 1331 CZ PHE A 87 -18.001 12.222 -2.547 1.00 0.00 C ATOM 0 HA PHE A 87 -15.271 10.481 1.924 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -13.867 12.140 -0.158 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -14.252 10.431 -0.191 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -16.856 9.915 -0.356 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -15.048 13.540 -1.560 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -18.796 10.383 -1.862 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -16.988 14.008 -3.066 1.00 0.00 H new ATOM 0 HZ PHE A 87 -18.840 12.425 -3.196 1.00 0.00 H new ATOM 1341 N CYS A 88 -13.794 11.694 3.613 1.00 0.00 N ATOM 1342 CA CYS A 88 -12.698 12.103 4.474 1.00 0.00 C ATOM 1343 C CYS A 88 -12.287 10.903 5.331 1.00 0.00 C ATOM 1344 O CYS A 88 -13.134 10.253 5.942 1.00 0.00 O ATOM 1345 CB CYS A 88 -13.074 13.314 5.331 1.00 0.00 C ATOM 1346 SG CYS A 88 -12.434 14.847 4.563 1.00 0.00 S ATOM 0 H CYS A 88 -14.552 11.205 4.090 1.00 0.00 H new ATOM 0 HA CYS A 88 -11.852 12.420 3.865 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -14.157 13.374 5.435 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -12.664 13.201 6.334 1.00 0.00 H new ATOM 0 HG CYS A 88 -11.135 14.803 4.523 1.00 0.00 H new ATOM 1352 N PHE A 89 -10.987 10.646 5.347 1.00 0.00 N ATOM 1353 CA PHE A 89 -10.454 9.537 6.118 1.00 0.00 C ATOM 1354 C PHE A 89 -9.497 10.033 7.204 1.00 0.00 C ATOM 1355 O PHE A 89 -8.746 10.983 6.987 1.00 0.00 O ATOM 1356 CB PHE A 89 -9.682 8.645 5.143 1.00 0.00 C ATOM 1357 CG PHE A 89 -8.589 9.377 4.362 1.00 0.00 C ATOM 1358 CD1 PHE A 89 -8.921 10.160 3.301 1.00 0.00 C ATOM 1359 CD2 PHE A 89 -7.286 9.245 4.729 1.00 0.00 C ATOM 1360 CE1 PHE A 89 -7.906 10.839 2.576 1.00 0.00 C ATOM 1361 CE2 PHE A 89 -6.272 9.924 4.004 1.00 0.00 C ATOM 1362 CZ PHE A 89 -6.603 10.707 2.943 1.00 0.00 C ATOM 0 H PHE A 89 -10.288 11.187 4.838 1.00 0.00 H new ATOM 0 HA PHE A 89 -11.267 8.999 6.606 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -9.229 7.824 5.699 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -10.385 8.203 4.437 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -9.956 10.265 3.010 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -7.023 8.623 5.572 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -8.169 11.461 1.733 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.237 9.819 4.295 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.832 11.224 2.392 1.00 0.00 H new ATOM 1372 N VAL A 90 -9.555 9.368 8.348 1.00 0.00 N ATOM 1373 CA VAL A 90 -8.703 9.730 9.468 1.00 0.00 C ATOM 1374 C VAL A 90 -7.559 8.720 9.580 1.00 0.00 C ATOM 1375 O VAL A 90 -7.797 7.519 9.706 1.00 0.00 O ATOM 1376 CB VAL A 90 -9.535 9.835 10.747 1.00 0.00 C ATOM 1377 CG1 VAL A 90 -8.675 9.572 11.985 1.00 0.00 C ATOM 1378 CG2 VAL A 90 -10.228 11.196 10.840 1.00 0.00 C ATOM 0 H VAL A 90 -10.179 8.580 8.524 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.256 10.711 9.306 1.00 0.00 H new ATOM 0 HB VAL A 90 -10.308 9.067 10.707 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -9.292 9.653 12.880 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -8.250 8.570 11.927 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -7.870 10.305 12.031 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -10.813 11.244 11.758 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -9.478 11.987 10.845 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -10.888 11.328 9.982 1.00 0.00 H new ATOM 1388 N ILE A 91 -6.343 9.243 9.532 1.00 0.00 N ATOM 1389 CA ILE A 91 -5.162 8.402 9.626 1.00 0.00 C ATOM 1390 C ILE A 91 -4.771 8.242 11.097 1.00 0.00 C ATOM 1391 O ILE A 91 -4.227 9.165 11.702 1.00 0.00 O ATOM 1392 CB ILE A 91 -4.038 8.955 8.748 1.00 0.00 C ATOM 1393 CG1 ILE A 91 -4.251 8.575 7.281 1.00 0.00 C ATOM 1394 CG2 ILE A 91 -2.669 8.507 9.263 1.00 0.00 C ATOM 1395 CD1 ILE A 91 -3.261 9.310 6.375 1.00 0.00 C ATOM 0 H ILE A 91 -6.150 10.239 9.429 1.00 0.00 H new ATOM 0 HA ILE A 91 -5.374 7.404 9.241 1.00 0.00 H new ATOM 0 HB ILE A 91 -4.063 10.043 8.806 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -4.131 7.499 7.159 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.271 8.817 6.983 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -1.888 8.914 8.621 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.527 8.869 10.281 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -2.615 7.418 9.254 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.434 9.022 5.338 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.400 10.386 6.481 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.242 9.046 6.660 1.00 0.00 H new ATOM 1407 N ASN A 92 -5.064 7.065 11.630 1.00 0.00 N ATOM 1408 CA ASN A 92 -4.751 6.773 13.018 1.00 0.00 C ATOM 1409 C ASN A 92 -3.267 6.420 13.138 1.00 0.00 C ATOM 1410 O ASN A 92 -2.774 5.546 12.426 1.00 0.00 O ATOM 1411 CB ASN A 92 -5.563 5.581 13.527 1.00 0.00 C ATOM 1412 CG ASN A 92 -6.326 5.942 14.803 1.00 0.00 C ATOM 1413 OD1 ASN A 92 -5.766 6.409 15.781 1.00 0.00 O ATOM 1414 ND2 ASN A 92 -7.632 5.700 14.739 1.00 0.00 N ATOM 0 H ASN A 92 -5.515 6.302 11.125 1.00 0.00 H new ATOM 0 HA ASN A 92 -4.994 7.654 13.611 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -6.265 5.260 12.758 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -4.898 4.740 13.722 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -8.229 5.907 15.540 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -8.037 5.308 13.889 1.00 0.00 H new ATOM 1421 N ALA A 93 -2.596 7.117 14.043 1.00 0.00 N ATOM 1422 CA ALA A 93 -1.179 6.888 14.265 1.00 0.00 C ATOM 1423 C ALA A 93 -0.932 6.649 15.756 1.00 0.00 C ATOM 1424 O ALA A 93 -1.752 6.031 16.433 1.00 0.00 O ATOM 1425 CB ALA A 93 -0.379 8.075 13.725 1.00 0.00 C ATOM 0 H ALA A 93 -3.008 7.841 14.631 1.00 0.00 H new ATOM 0 HA ALA A 93 -0.846 5.999 13.729 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.684 7.903 13.892 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.566 8.184 12.657 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.685 8.985 14.241 1.00 0.00 H new ATOM 1431 N LEU A 94 0.201 7.152 16.224 1.00 0.00 N ATOM 1432 CA LEU A 94 0.565 7.001 17.622 1.00 0.00 C ATOM 1433 C LEU A 94 -0.681 7.179 18.492 1.00 0.00 C ATOM 1434 O LEU A 94 -1.201 6.211 19.043 1.00 0.00 O ATOM 1435 CB LEU A 94 1.709 7.951 17.984 1.00 0.00 C ATOM 1436 CG LEU A 94 2.923 7.924 17.053 1.00 0.00 C ATOM 1437 CD1 LEU A 94 4.171 8.448 17.765 1.00 0.00 C ATOM 1438 CD2 LEU A 94 3.138 6.524 16.473 1.00 0.00 C ATOM 0 H LEU A 94 0.879 7.664 15.660 1.00 0.00 H new ATOM 0 HA LEU A 94 0.944 5.997 17.810 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.317 8.968 18.008 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.045 7.715 18.994 1.00 0.00 H new ATOM 0 HG LEU A 94 2.726 8.593 16.215 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.019 8.418 17.081 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.001 9.475 18.088 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.383 7.825 18.634 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.007 6.532 15.815 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.304 5.816 17.285 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.256 6.226 15.906 1.00 0.00 H new ATOM 1450 N SER A 95 -1.123 8.425 18.588 1.00 0.00 N ATOM 1451 CA SER A 95 -2.298 8.743 19.381 1.00 0.00 C ATOM 1452 C SER A 95 -2.974 10.001 18.833 1.00 0.00 C ATOM 1453 O SER A 95 -3.699 10.684 19.554 1.00 0.00 O ATOM 1454 CB SER A 95 -1.933 8.935 20.854 1.00 0.00 C ATOM 1455 OG SER A 95 -2.783 8.185 21.718 1.00 0.00 O ATOM 0 H SER A 95 -0.688 9.226 18.130 1.00 0.00 H new ATOM 0 HA SER A 95 -2.993 7.906 19.313 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.898 8.633 21.013 1.00 0.00 H new ATOM 0 HB3 SER A 95 -2.000 9.993 21.109 1.00 0.00 H new ATOM 0 HG SER A 95 -2.516 8.333 22.649 1.00 0.00 H new ATOM 1461 N GLN A 96 -2.713 10.269 17.562 1.00 0.00 N ATOM 1462 CA GLN A 96 -3.287 11.433 16.910 1.00 0.00 C ATOM 1463 C GLN A 96 -4.232 11.000 15.787 1.00 0.00 C ATOM 1464 O GLN A 96 -4.326 9.815 15.473 1.00 0.00 O ATOM 1465 CB GLN A 96 -2.192 12.360 16.378 1.00 0.00 C ATOM 1466 CG GLN A 96 -2.295 13.750 17.008 1.00 0.00 C ATOM 1467 CD GLN A 96 -1.205 14.679 16.470 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -1.469 15.730 15.911 1.00 0.00 O ATOM 1469 NE2 GLN A 96 0.032 14.233 16.670 1.00 0.00 N ATOM 0 H GLN A 96 -2.112 9.700 16.967 1.00 0.00 H new ATOM 0 HA GLN A 96 -3.863 11.991 17.648 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -1.213 11.932 16.592 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -2.275 12.441 15.294 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -3.276 14.176 16.799 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -2.207 13.669 18.091 1.00 0.00 H new ATOM 0 HE21 GLN A 96 0.183 13.343 17.146 1.00 0.00 H new ATOM 0 HE22 GLN A 96 0.830 14.781 16.348 1.00 0.00 H new ATOM 1478 N ARG A 97 -4.908 11.985 15.213 1.00 0.00 N ATOM 1479 CA ARG A 97 -5.842 11.720 14.131 1.00 0.00 C ATOM 1480 C ARG A 97 -5.728 12.801 13.055 1.00 0.00 C ATOM 1481 O ARG A 97 -6.141 13.940 13.268 1.00 0.00 O ATOM 1482 CB ARG A 97 -7.281 11.673 14.647 1.00 0.00 C ATOM 1483 CG ARG A 97 -7.670 12.995 15.310 1.00 0.00 C ATOM 1484 CD ARG A 97 -8.852 12.804 16.263 1.00 0.00 C ATOM 1485 NE ARG A 97 -8.596 13.513 17.536 1.00 0.00 N ATOM 1486 CZ ARG A 97 -7.846 13.021 18.532 1.00 0.00 C ATOM 1487 NH1 ARG A 97 -7.273 11.816 18.407 1.00 0.00 N ATOM 1488 NH2 ARG A 97 -7.667 13.735 19.652 1.00 0.00 N ATOM 0 H ARG A 97 -4.828 12.967 15.477 1.00 0.00 H new ATOM 0 HA ARG A 97 -5.589 10.750 13.704 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -7.960 11.463 13.821 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -7.388 10.858 15.363 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -6.817 13.396 15.858 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -7.930 13.727 14.545 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -9.765 13.183 15.804 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -9.008 11.742 16.454 1.00 0.00 H new ATOM 0 HE ARG A 97 -9.016 14.434 17.664 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -7.408 11.273 17.554 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -6.702 11.442 19.165 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -8.102 14.653 19.747 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -7.096 13.360 20.410 1.00 0.00 H new ATOM 1502 N TYR A 98 -5.166 12.407 11.922 1.00 0.00 N ATOM 1503 CA TYR A 98 -4.993 13.328 10.812 1.00 0.00 C ATOM 1504 C TYR A 98 -6.206 13.297 9.879 1.00 0.00 C ATOM 1505 O TYR A 98 -6.589 12.237 9.388 1.00 0.00 O ATOM 1506 CB TYR A 98 -3.763 12.838 10.045 1.00 0.00 C ATOM 1507 CG TYR A 98 -2.469 12.868 10.861 1.00 0.00 C ATOM 1508 CD1 TYR A 98 -1.713 14.022 10.914 1.00 0.00 C ATOM 1509 CD2 TYR A 98 -2.057 11.742 11.544 1.00 0.00 C ATOM 1510 CE1 TYR A 98 -0.495 14.051 11.681 1.00 0.00 C ATOM 1511 CE2 TYR A 98 -0.839 11.771 12.311 1.00 0.00 C ATOM 1512 CZ TYR A 98 -0.118 12.924 12.342 1.00 0.00 C ATOM 1513 OH TYR A 98 1.032 12.950 13.067 1.00 0.00 O ATOM 0 H TYR A 98 -4.824 11.462 11.749 1.00 0.00 H new ATOM 0 HA TYR A 98 -4.880 14.349 11.175 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -3.942 11.818 9.704 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -3.634 13.453 9.155 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -2.035 14.903 10.380 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -2.648 10.839 11.503 1.00 0.00 H new ATOM 0 HE1 TYR A 98 0.106 14.947 11.730 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.505 10.897 12.850 1.00 0.00 H new ATOM 0 HH TYR A 98 1.175 12.075 13.485 1.00 0.00 H new ATOM 1523 N PHE A 99 -6.776 14.474 9.664 1.00 0.00 N ATOM 1524 CA PHE A 99 -7.937 14.595 8.799 1.00 0.00 C ATOM 1525 C PHE A 99 -7.533 15.071 7.402 1.00 0.00 C ATOM 1526 O PHE A 99 -7.007 16.171 7.245 1.00 0.00 O ATOM 1527 CB PHE A 99 -8.860 15.637 9.433 1.00 0.00 C ATOM 1528 CG PHE A 99 -9.556 15.159 10.708 1.00 0.00 C ATOM 1529 CD1 PHE A 99 -10.420 14.109 10.659 1.00 0.00 C ATOM 1530 CD2 PHE A 99 -9.311 15.783 11.892 1.00 0.00 C ATOM 1531 CE1 PHE A 99 -11.066 13.665 11.843 1.00 0.00 C ATOM 1532 CE2 PHE A 99 -9.957 15.339 13.076 1.00 0.00 C ATOM 1533 CZ PHE A 99 -10.821 14.289 13.026 1.00 0.00 C ATOM 0 H PHE A 99 -6.456 15.351 10.074 1.00 0.00 H new ATOM 0 HA PHE A 99 -8.427 13.627 8.696 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -8.279 16.530 9.662 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -9.618 15.927 8.705 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -10.614 13.613 9.719 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -8.625 16.616 11.931 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -11.752 12.832 11.804 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -9.763 15.834 14.016 1.00 0.00 H new ATOM 0 HZ PHE A 99 -11.312 13.951 13.926 1.00 0.00 H new ATOM 1543 N LEU A 100 -7.795 14.218 6.422 1.00 0.00 N ATOM 1544 CA LEU A 100 -7.465 14.537 5.044 1.00 0.00 C ATOM 1545 C LEU A 100 -8.730 14.447 4.187 1.00 0.00 C ATOM 1546 O LEU A 100 -9.620 13.646 4.470 1.00 0.00 O ATOM 1547 CB LEU A 100 -6.322 13.650 4.547 1.00 0.00 C ATOM 1548 CG LEU A 100 -5.092 13.571 5.454 1.00 0.00 C ATOM 1549 CD1 LEU A 100 -5.246 12.454 6.489 1.00 0.00 C ATOM 1550 CD2 LEU A 100 -3.812 13.417 4.631 1.00 0.00 C ATOM 0 H LEU A 100 -8.232 13.306 6.556 1.00 0.00 H new ATOM 0 HA LEU A 100 -7.099 15.561 4.968 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -6.708 12.641 4.403 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -6.005 14.013 3.569 1.00 0.00 H new ATOM 0 HG LEU A 100 -5.011 14.510 6.002 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.359 12.419 7.121 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.123 12.648 7.106 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.366 11.499 5.978 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.953 13.363 5.300 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -3.868 12.504 4.039 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -3.701 14.274 3.967 1.00 0.00 H new ATOM 1562 N GLN A 101 -8.769 15.279 3.157 1.00 0.00 N ATOM 1563 CA GLN A 101 -9.910 15.303 2.258 1.00 0.00 C ATOM 1564 C GLN A 101 -9.505 14.797 0.872 1.00 0.00 C ATOM 1565 O GLN A 101 -8.432 15.136 0.373 1.00 0.00 O ATOM 1566 CB GLN A 101 -10.513 16.707 2.174 1.00 0.00 C ATOM 1567 CG GLN A 101 -11.875 16.678 1.478 1.00 0.00 C ATOM 1568 CD GLN A 101 -12.407 18.095 1.254 1.00 0.00 C ATOM 1569 OE1 GLN A 101 -11.730 18.963 0.728 1.00 0.00 O ATOM 1570 NE2 GLN A 101 -13.653 18.280 1.681 1.00 0.00 N ATOM 0 H GLN A 101 -8.029 15.941 2.925 1.00 0.00 H new ATOM 0 HA GLN A 101 -10.676 14.638 2.657 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -10.622 17.121 3.177 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -9.836 17.365 1.629 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -11.787 16.163 0.521 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -12.584 16.111 2.081 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -14.164 17.510 2.113 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -14.098 19.192 1.577 1.00 0.00 H new ATOM 1579 N ALA A 102 -10.383 13.995 0.290 1.00 0.00 N ATOM 1580 CA ALA A 102 -10.130 13.439 -1.029 1.00 0.00 C ATOM 1581 C ALA A 102 -10.924 14.228 -2.072 1.00 0.00 C ATOM 1582 O ALA A 102 -11.731 15.088 -1.722 1.00 0.00 O ATOM 1583 CB ALA A 102 -10.482 11.950 -1.032 1.00 0.00 C ATOM 0 H ALA A 102 -11.271 13.716 0.707 1.00 0.00 H new ATOM 0 HA ALA A 102 -9.074 13.525 -1.285 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.292 11.533 -2.021 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.870 11.430 -0.295 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -11.535 11.825 -0.781 1.00 0.00 H new ATOM 1589 N ASN A 103 -10.667 13.908 -3.331 1.00 0.00 N ATOM 1590 CA ASN A 103 -11.348 14.576 -4.427 1.00 0.00 C ATOM 1591 C ASN A 103 -12.691 13.888 -4.682 1.00 0.00 C ATOM 1592 O ASN A 103 -13.740 14.529 -4.634 1.00 0.00 O ATOM 1593 CB ASN A 103 -10.526 14.500 -5.715 1.00 0.00 C ATOM 1594 CG ASN A 103 -9.670 15.755 -5.894 1.00 0.00 C ATOM 1595 OD1 ASN A 103 -10.073 16.729 -6.510 1.00 0.00 O ATOM 1596 ND2 ASN A 103 -8.471 15.679 -5.324 1.00 0.00 N ATOM 0 H ASN A 103 -9.996 13.195 -3.617 1.00 0.00 H new ATOM 0 HA ASN A 103 -11.488 15.621 -4.150 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -9.885 13.619 -5.690 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -11.193 14.385 -6.570 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -7.825 16.466 -5.388 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -8.197 14.834 -4.823 1.00 0.00 H new ATOM 1603 N ASP A 104 -12.615 12.593 -4.949 1.00 0.00 N ATOM 1604 CA ASP A 104 -13.812 11.812 -5.212 1.00 0.00 C ATOM 1605 C ASP A 104 -13.984 10.763 -4.111 1.00 0.00 C ATOM 1606 O ASP A 104 -13.225 10.745 -3.142 1.00 0.00 O ATOM 1607 CB ASP A 104 -13.708 11.078 -6.551 1.00 0.00 C ATOM 1608 CG ASP A 104 -14.252 11.849 -7.755 1.00 0.00 C ATOM 1609 OD1 ASP A 104 -14.509 13.060 -7.584 1.00 0.00 O ATOM 1610 OD2 ASP A 104 -14.399 11.209 -8.819 1.00 0.00 O ATOM 0 H ASP A 104 -11.743 12.065 -4.989 1.00 0.00 H new ATOM 0 HA ASP A 104 -14.661 12.495 -5.240 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -12.661 10.837 -6.736 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -14.244 10.132 -6.472 1.00 0.00 H new ATOM 1615 N GLN A 105 -14.985 9.916 -4.296 1.00 0.00 N ATOM 1616 CA GLN A 105 -15.266 8.867 -3.330 1.00 0.00 C ATOM 1617 C GLN A 105 -14.309 7.691 -3.530 1.00 0.00 C ATOM 1618 O GLN A 105 -14.062 6.922 -2.602 1.00 0.00 O ATOM 1619 CB GLN A 105 -16.723 8.411 -3.425 1.00 0.00 C ATOM 1620 CG GLN A 105 -16.900 7.014 -2.826 1.00 0.00 C ATOM 1621 CD GLN A 105 -18.351 6.543 -2.953 1.00 0.00 C ATOM 1622 OE1 GLN A 105 -18.737 5.891 -3.909 1.00 0.00 O ATOM 1623 NE2 GLN A 105 -19.129 6.909 -1.938 1.00 0.00 N ATOM 0 H GLN A 105 -15.612 9.934 -5.100 1.00 0.00 H new ATOM 0 HA GLN A 105 -15.110 9.270 -2.329 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -17.365 9.119 -2.901 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -17.039 8.406 -4.468 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -16.240 6.311 -3.333 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -16.608 7.025 -1.776 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -18.741 7.455 -1.169 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -20.114 6.644 -1.929 1.00 0.00 H new ATOM 1632 N LYS A 106 -13.795 7.588 -4.747 1.00 0.00 N ATOM 1633 CA LYS A 106 -12.871 6.518 -5.081 1.00 0.00 C ATOM 1634 C LYS A 106 -11.503 6.821 -4.465 1.00 0.00 C ATOM 1635 O LYS A 106 -11.028 6.082 -3.604 1.00 0.00 O ATOM 1636 CB LYS A 106 -12.828 6.299 -6.594 1.00 0.00 C ATOM 1637 CG LYS A 106 -11.671 5.377 -6.983 1.00 0.00 C ATOM 1638 CD LYS A 106 -11.651 5.128 -8.493 1.00 0.00 C ATOM 1639 CE LYS A 106 -10.218 5.112 -9.028 1.00 0.00 C ATOM 1640 NZ LYS A 106 -9.752 3.720 -9.219 1.00 0.00 N ATOM 0 H LYS A 106 -14.001 8.228 -5.514 1.00 0.00 H new ATOM 0 HA LYS A 106 -13.212 5.574 -4.655 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -13.771 5.866 -6.929 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -12.719 7.258 -7.101 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -10.726 5.822 -6.672 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -11.765 4.428 -6.456 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -12.136 4.177 -8.715 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -12.224 5.904 -9.001 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -10.171 5.651 -9.974 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -9.558 5.631 -8.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -8.778 3.727 -9.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -9.778 3.217 -8.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -10.372 3.237 -9.900 1.00 0.00 H new ATOM 1654 N ASP A 107 -10.908 7.909 -4.931 1.00 0.00 N ATOM 1655 CA ASP A 107 -9.605 8.319 -4.437 1.00 0.00 C ATOM 1656 C ASP A 107 -9.596 8.244 -2.909 1.00 0.00 C ATOM 1657 O ASP A 107 -8.610 7.817 -2.310 1.00 0.00 O ATOM 1658 CB ASP A 107 -9.291 9.762 -4.841 1.00 0.00 C ATOM 1659 CG ASP A 107 -7.846 10.011 -5.276 1.00 0.00 C ATOM 1660 OD1 ASP A 107 -7.542 9.692 -6.446 1.00 0.00 O ATOM 1661 OD2 ASP A 107 -7.077 10.516 -4.429 1.00 0.00 O ATOM 0 H ASP A 107 -11.305 8.519 -5.646 1.00 0.00 H new ATOM 0 HA ASP A 107 -8.857 7.653 -4.867 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -9.955 10.048 -5.657 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -9.520 10.417 -4.000 1.00 0.00 H new ATOM 1666 N LEU A 108 -10.707 8.666 -2.321 1.00 0.00 N ATOM 1667 CA LEU A 108 -10.840 8.651 -0.875 1.00 0.00 C ATOM 1668 C LEU A 108 -10.525 7.248 -0.352 1.00 0.00 C ATOM 1669 O LEU A 108 -9.572 7.063 0.404 1.00 0.00 O ATOM 1670 CB LEU A 108 -12.219 9.167 -0.458 1.00 0.00 C ATOM 1671 CG LEU A 108 -12.670 8.806 0.959 1.00 0.00 C ATOM 1672 CD1 LEU A 108 -13.548 7.553 0.951 1.00 0.00 C ATOM 1673 CD2 LEU A 108 -11.470 8.660 1.896 1.00 0.00 C ATOM 0 H LEU A 108 -11.523 9.020 -2.821 1.00 0.00 H new ATOM 0 HA LEU A 108 -10.120 9.331 -0.420 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -12.223 10.253 -0.554 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -12.957 8.782 -1.162 1.00 0.00 H new ATOM 0 HG LEU A 108 -13.279 9.624 1.343 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -13.855 7.318 1.970 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -14.431 7.732 0.338 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -12.984 6.716 0.540 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -11.819 8.403 2.896 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -10.814 7.872 1.527 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -10.921 9.601 1.933 1.00 0.00 H new ATOM 1685 N LYS A 109 -11.343 6.296 -0.775 1.00 0.00 N ATOM 1686 CA LYS A 109 -11.164 4.915 -0.359 1.00 0.00 C ATOM 1687 C LYS A 109 -9.764 4.445 -0.758 1.00 0.00 C ATOM 1688 O LYS A 109 -9.080 3.786 0.023 1.00 0.00 O ATOM 1689 CB LYS A 109 -12.289 4.039 -0.912 1.00 0.00 C ATOM 1690 CG LYS A 109 -13.230 3.584 0.206 1.00 0.00 C ATOM 1691 CD LYS A 109 -13.402 2.063 0.193 1.00 0.00 C ATOM 1692 CE LYS A 109 -14.789 1.673 -0.321 1.00 0.00 C ATOM 1693 NZ LYS A 109 -14.712 0.439 -1.134 1.00 0.00 N ATOM 0 H LYS A 109 -12.132 6.453 -1.402 1.00 0.00 H new ATOM 0 HA LYS A 109 -11.231 4.831 0.726 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -12.852 4.594 -1.662 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -11.865 3.168 -1.412 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -12.834 3.901 1.171 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -14.201 4.064 0.087 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -12.636 1.612 -0.438 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -13.259 1.669 1.199 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -15.465 1.520 0.520 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -15.203 2.485 -0.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -15.662 0.188 -1.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -14.083 0.597 -1.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -14.337 -0.337 -0.552 1.00 0.00 H new ATOM 1707 N ASP A 110 -9.380 4.802 -1.975 1.00 0.00 N ATOM 1708 CA ASP A 110 -8.074 4.424 -2.488 1.00 0.00 C ATOM 1709 C ASP A 110 -6.999 4.815 -1.471 1.00 0.00 C ATOM 1710 O ASP A 110 -6.264 3.959 -0.979 1.00 0.00 O ATOM 1711 CB ASP A 110 -7.767 5.146 -3.801 1.00 0.00 C ATOM 1712 CG ASP A 110 -8.813 4.958 -4.902 1.00 0.00 C ATOM 1713 OD1 ASP A 110 -9.740 4.151 -4.672 1.00 0.00 O ATOM 1714 OD2 ASP A 110 -8.662 5.624 -5.948 1.00 0.00 O ATOM 0 H ASP A 110 -9.950 5.349 -2.620 1.00 0.00 H new ATOM 0 HA ASP A 110 -8.079 3.348 -2.661 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -7.664 6.212 -3.597 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -6.803 4.798 -4.173 1.00 0.00 H new ATOM 1719 N TRP A 111 -6.941 6.108 -1.187 1.00 0.00 N ATOM 1720 CA TRP A 111 -5.968 6.622 -0.238 1.00 0.00 C ATOM 1721 C TRP A 111 -6.028 5.753 1.019 1.00 0.00 C ATOM 1722 O TRP A 111 -4.998 5.297 1.513 1.00 0.00 O ATOM 1723 CB TRP A 111 -6.213 8.105 0.048 1.00 0.00 C ATOM 1724 CG TRP A 111 -5.400 9.052 -0.838 1.00 0.00 C ATOM 1725 CD1 TRP A 111 -5.853 9.897 -1.775 1.00 0.00 C ATOM 1726 CD2 TRP A 111 -3.967 9.217 -0.832 1.00 0.00 C ATOM 1727 NE1 TRP A 111 -4.820 10.592 -2.370 1.00 0.00 N ATOM 1728 CE2 TRP A 111 -3.637 10.166 -1.779 1.00 0.00 C ATOM 1729 CE3 TRP A 111 -2.981 8.587 -0.052 1.00 0.00 C ATOM 1730 CZ2 TRP A 111 -2.320 10.568 -2.034 1.00 0.00 C ATOM 1731 CZ3 TRP A 111 -1.671 9.000 -0.320 1.00 0.00 C ATOM 1732 CH2 TRP A 111 -1.322 9.953 -1.269 1.00 0.00 C ATOM 0 H TRP A 111 -7.552 6.815 -1.597 1.00 0.00 H new ATOM 0 HA TRP A 111 -4.961 6.567 -0.650 1.00 0.00 H new ATOM 0 HB2 TRP A 111 -7.273 8.320 -0.085 1.00 0.00 H new ATOM 0 HB3 TRP A 111 -5.975 8.307 1.092 1.00 0.00 H new ATOM 0 HD1 TRP A 111 -6.895 10.018 -2.032 1.00 0.00 H new ATOM 0 HE1 TRP A 111 -4.909 11.290 -3.108 1.00 0.00 H new ATOM 0 HE3 TRP A 111 -3.216 7.843 0.695 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -2.087 11.313 -2.781 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -0.875 8.546 0.251 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -0.285 10.218 -1.416 1.00 0.00 H new ATOM 1743 N VAL A 112 -7.246 5.549 1.501 1.00 0.00 N ATOM 1744 CA VAL A 112 -7.454 4.742 2.691 1.00 0.00 C ATOM 1745 C VAL A 112 -6.842 3.356 2.477 1.00 0.00 C ATOM 1746 O VAL A 112 -6.062 2.883 3.302 1.00 0.00 O ATOM 1747 CB VAL A 112 -8.944 4.691 3.035 1.00 0.00 C ATOM 1748 CG1 VAL A 112 -9.198 3.784 4.241 1.00 0.00 C ATOM 1749 CG2 VAL A 112 -9.498 6.096 3.279 1.00 0.00 C ATOM 0 H VAL A 112 -8.098 5.929 1.089 1.00 0.00 H new ATOM 0 HA VAL A 112 -6.951 5.190 3.548 1.00 0.00 H new ATOM 0 HB VAL A 112 -9.471 4.267 2.180 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -10.265 3.766 4.464 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -8.857 2.774 4.015 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -8.653 4.166 5.104 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -10.559 6.032 3.522 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -8.963 6.559 4.108 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -9.367 6.700 2.381 1.00 0.00 H new ATOM 1759 N GLU A 113 -7.219 2.744 1.364 1.00 0.00 N ATOM 1760 CA GLU A 113 -6.718 1.422 1.030 1.00 0.00 C ATOM 1761 C GLU A 113 -5.189 1.436 0.962 1.00 0.00 C ATOM 1762 O GLU A 113 -4.530 0.587 1.560 1.00 0.00 O ATOM 1763 CB GLU A 113 -7.321 0.923 -0.285 1.00 0.00 C ATOM 1764 CG GLU A 113 -8.846 1.039 -0.267 1.00 0.00 C ATOM 1765 CD GLU A 113 -9.502 -0.288 -0.655 1.00 0.00 C ATOM 1766 OE1 GLU A 113 -9.042 -0.876 -1.657 1.00 0.00 O ATOM 1767 OE2 GLU A 113 -10.448 -0.684 0.060 1.00 0.00 O ATOM 0 H GLU A 113 -7.866 3.140 0.682 1.00 0.00 H new ATOM 0 HA GLU A 113 -7.021 0.730 1.816 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -6.918 1.501 -1.117 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -7.034 -0.115 -0.450 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -9.180 1.337 0.727 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -9.163 1.821 -0.957 1.00 0.00 H new ATOM 1774 N ALA A 114 -4.670 2.409 0.228 1.00 0.00 N ATOM 1775 CA ALA A 114 -3.232 2.544 0.073 1.00 0.00 C ATOM 1776 C ALA A 114 -2.593 2.753 1.448 1.00 0.00 C ATOM 1777 O ALA A 114 -1.571 2.144 1.761 1.00 0.00 O ATOM 1778 CB ALA A 114 -2.927 3.692 -0.891 1.00 0.00 C ATOM 0 H ALA A 114 -5.220 3.112 -0.266 1.00 0.00 H new ATOM 0 HA ALA A 114 -2.806 1.637 -0.355 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -1.848 3.793 -1.007 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -3.378 3.482 -1.861 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.337 4.620 -0.493 1.00 0.00 H new ATOM 1784 N LEU A 115 -3.223 3.615 2.233 1.00 0.00 N ATOM 1785 CA LEU A 115 -2.729 3.912 3.567 1.00 0.00 C ATOM 1786 C LEU A 115 -2.967 2.703 4.474 1.00 0.00 C ATOM 1787 O LEU A 115 -2.413 2.626 5.570 1.00 0.00 O ATOM 1788 CB LEU A 115 -3.351 5.207 4.093 1.00 0.00 C ATOM 1789 CG LEU A 115 -3.039 6.474 3.293 1.00 0.00 C ATOM 1790 CD1 LEU A 115 -4.053 7.578 3.599 1.00 0.00 C ATOM 1791 CD2 LEU A 115 -1.600 6.934 3.534 1.00 0.00 C ATOM 0 H LEU A 115 -4.071 4.117 1.971 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.654 4.089 3.545 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -4.433 5.080 4.127 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -3.016 5.357 5.119 1.00 0.00 H new ATOM 0 HG LEU A 115 -3.128 6.240 2.232 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -3.809 8.467 3.018 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -5.054 7.236 3.336 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -4.020 7.818 4.662 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -1.404 7.836 2.954 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -1.459 7.146 4.594 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -0.910 6.148 3.226 1.00 0.00 H new ATOM 1803 N ASN A 116 -3.791 1.788 3.984 1.00 0.00 N ATOM 1804 CA ASN A 116 -4.108 0.587 4.737 1.00 0.00 C ATOM 1805 C ASN A 116 -3.116 -0.518 4.369 1.00 0.00 C ATOM 1806 O ASN A 116 -2.940 -1.475 5.121 1.00 0.00 O ATOM 1807 CB ASN A 116 -5.517 0.087 4.409 1.00 0.00 C ATOM 1808 CG ASN A 116 -6.432 0.186 5.630 1.00 0.00 C ATOM 1809 OD1 ASN A 116 -6.395 -0.633 6.534 1.00 0.00 O ATOM 1810 ND2 ASN A 116 -7.254 1.231 5.607 1.00 0.00 N ATOM 0 H ASN A 116 -4.248 1.855 3.075 1.00 0.00 H new ATOM 0 HA ASN A 116 -4.049 0.829 5.798 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -5.933 0.673 3.590 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -5.470 -0.947 4.069 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -7.905 1.385 6.377 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -7.233 1.879 4.819 1.00 0.00 H new ATOM 1817 N GLN A 117 -2.494 -0.348 3.211 1.00 0.00 N ATOM 1818 CA GLN A 117 -1.524 -1.319 2.734 1.00 0.00 C ATOM 1819 C GLN A 117 -0.105 -0.869 3.087 1.00 0.00 C ATOM 1820 O GLN A 117 0.653 -1.618 3.701 1.00 0.00 O ATOM 1821 CB GLN A 117 -1.670 -1.544 1.228 1.00 0.00 C ATOM 1822 CG GLN A 117 -3.027 -2.167 0.895 1.00 0.00 C ATOM 1823 CD GLN A 117 -3.052 -2.692 -0.542 1.00 0.00 C ATOM 1824 OE1 GLN A 117 -3.178 -1.947 -1.500 1.00 0.00 O ATOM 1825 NE2 GLN A 117 -2.926 -4.012 -0.638 1.00 0.00 N ATOM 0 H GLN A 117 -2.643 0.447 2.590 1.00 0.00 H new ATOM 0 HA GLN A 117 -1.716 -2.270 3.230 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -1.563 -0.595 0.703 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -0.870 -2.195 0.875 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -3.236 -2.982 1.587 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -3.814 -1.425 1.029 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -2.824 -4.577 0.205 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -2.931 -4.459 -1.555 1.00 0.00 H new ATOM 1834 N ALA A 118 0.212 0.352 2.682 1.00 0.00 N ATOM 1835 CA ALA A 118 1.527 0.910 2.948 1.00 0.00 C ATOM 1836 C ALA A 118 1.846 0.768 4.437 1.00 0.00 C ATOM 1837 O ALA A 118 2.987 0.501 4.809 1.00 0.00 O ATOM 1838 CB ALA A 118 1.567 2.367 2.479 1.00 0.00 C ATOM 0 H ALA A 118 -0.419 0.970 2.172 1.00 0.00 H new ATOM 0 HA ALA A 118 2.293 0.367 2.394 1.00 0.00 H new ATOM 0 HB1 ALA A 118 2.553 2.786 2.678 1.00 0.00 H new ATOM 0 HB2 ALA A 118 1.364 2.411 1.409 1.00 0.00 H new ATOM 0 HB3 ALA A 118 0.813 2.943 3.015 1.00 0.00 H new ATOM 1844 N SER A 119 0.816 0.953 5.250 1.00 0.00 N ATOM 1845 CA SER A 119 0.972 0.849 6.691 1.00 0.00 C ATOM 1846 C SER A 119 0.761 -0.600 7.137 1.00 0.00 C ATOM 1847 O SER A 119 1.202 -0.991 8.216 1.00 0.00 O ATOM 1848 CB SER A 119 -0.004 1.775 7.419 1.00 0.00 C ATOM 1849 OG SER A 119 0.630 2.498 8.471 1.00 0.00 O ATOM 0 H SER A 119 -0.130 1.174 4.938 1.00 0.00 H new ATOM 0 HA SER A 119 1.985 1.158 6.948 1.00 0.00 H new ATOM 0 HB2 SER A 119 -0.438 2.477 6.707 1.00 0.00 H new ATOM 0 HB3 SER A 119 -0.826 1.187 7.827 1.00 0.00 H new ATOM 0 HG SER A 119 0.433 2.067 9.329 1.00 0.00 H new