USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 610 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 49 CYS SG : rot -82:sc= -0.561 USER MOD Set 1.2: A 82 GLN : amide:sc= -2.92! C(o=-3.5!,f=-8!) USER MOD Set 2.1: A 68 GLN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Set 2.2: A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 3.1: A 40 GLN : amide:sc= -0.251 K(o=-0.54,f=-1.8) USER MOD Set 3.2: A 56 ASN : amide:sc= -0.288 K(o=-0.54,f=-1.9) USER MOD Set 4.1: A 25 SER OG : rot 180:sc= 0.00144 USER MOD Set 4.2: A 47 GLN : amide:sc= -0.497 K(o=-0.5,f=-2.5!) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 81:sc= 1.12 USER MOD Single : A 19 GLN : amide:sc= -0.0492 X(o=-0.049,f=-0.24) USER MOD Single : A 21 CYS SG : rot 180:sc= -0.333 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0776 USER MOD Single : A 31 SER OG : rot 101:sc= 0.164 USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.351 USER MOD Single : A 62 HIS : no HD1:sc= -0.508 X(o=-0.51,f=-0.01) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 GLN : amide:sc= -1.21 K(o=-1.2,f=-0.48) USER MOD Single : A 78 HIS : no HE2:sc= -0.325 K(o=-0.32,f=-2.2) USER MOD ----------------------------------------------------------------- ATOM 191 N GLY A 12 -8.838 1.746 -5.444 1.00 0.00 N ATOM 192 CA GLY A 12 -10.125 1.435 -4.849 1.00 0.00 C ATOM 193 C GLY A 12 -10.000 0.623 -3.575 1.00 0.00 C ATOM 194 O GLY A 12 -10.681 0.898 -2.587 1.00 0.00 O ATOM 0 HA2 GLY A 12 -10.654 2.363 -4.633 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -10.730 0.883 -5.569 1.00 0.00 H new ATOM 198 N GLN A 13 -9.130 -0.381 -3.597 1.00 0.00 N ATOM 199 CA GLN A 13 -8.922 -1.238 -2.435 1.00 0.00 C ATOM 200 C GLN A 13 -8.203 -0.484 -1.320 1.00 0.00 C ATOM 201 O GLN A 13 -8.606 -0.542 -0.158 1.00 0.00 O ATOM 202 CB GLN A 13 -8.116 -2.477 -2.829 1.00 0.00 C ATOM 203 CG GLN A 13 -8.979 -3.659 -3.240 1.00 0.00 C ATOM 204 CD GLN A 13 -8.160 -4.831 -3.744 1.00 0.00 C ATOM 205 OE1 GLN A 13 -8.013 -5.841 -3.057 1.00 0.00 O ATOM 206 NE2 GLN A 13 -7.621 -4.701 -4.951 1.00 0.00 N ATOM 0 H GLN A 13 -8.558 -0.621 -4.406 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.899 -1.548 -2.065 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.450 -2.220 -3.653 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.486 -2.772 -1.990 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -9.579 -3.979 -2.388 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.673 -3.344 -4.019 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -7.769 -3.845 -5.486 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -7.059 -5.457 -5.343 1.00 0.00 H new ATOM 215 N LEU A 14 -7.135 0.219 -1.680 1.00 0.00 N ATOM 216 CA LEU A 14 -6.356 0.982 -0.709 1.00 0.00 C ATOM 217 C LEU A 14 -7.230 1.995 0.024 1.00 0.00 C ATOM 218 O LEU A 14 -7.142 2.139 1.243 1.00 0.00 O ATOM 219 CB LEU A 14 -5.199 1.700 -1.405 1.00 0.00 C ATOM 220 CG LEU A 14 -4.113 2.236 -0.470 1.00 0.00 C ATOM 221 CD1 LEU A 14 -2.755 2.217 -1.158 1.00 0.00 C ATOM 222 CD2 LEU A 14 -4.459 3.643 -0.004 1.00 0.00 C ATOM 0 H LEU A 14 -6.788 0.277 -2.637 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.955 0.282 0.024 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.739 1.012 -2.115 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.602 2.532 -1.983 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.061 1.587 0.404 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.996 2.602 -0.476 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.504 1.194 -1.440 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.791 2.841 -2.051 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.676 4.009 0.660 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.540 4.303 -0.868 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.409 3.626 0.530 1.00 0.00 H new ATOM 234 N ALA A 15 -8.072 2.698 -0.727 1.00 0.00 N ATOM 235 CA ALA A 15 -8.958 3.700 -0.148 1.00 0.00 C ATOM 236 C ALA A 15 -9.949 3.068 0.824 1.00 0.00 C ATOM 237 O ALA A 15 -10.080 3.507 1.966 1.00 0.00 O ATOM 238 CB ALA A 15 -9.699 4.446 -1.248 1.00 0.00 C ATOM 0 H ALA A 15 -8.159 2.592 -1.738 1.00 0.00 H new ATOM 0 HA ALA A 15 -8.346 4.408 0.411 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -10.357 5.192 -0.802 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.980 4.941 -1.900 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -10.292 3.741 -1.831 1.00 0.00 H new ATOM 244 N THR A 16 -10.648 2.036 0.361 1.00 0.00 N ATOM 245 CA THR A 16 -11.631 1.345 1.188 1.00 0.00 C ATOM 246 C THR A 16 -10.980 0.733 2.424 1.00 0.00 C ATOM 247 O THR A 16 -11.558 0.742 3.510 1.00 0.00 O ATOM 248 CB THR A 16 -12.332 0.255 0.376 1.00 0.00 C ATOM 249 OG1 THR A 16 -12.847 0.783 -0.833 1.00 0.00 O ATOM 250 CG2 THR A 16 -13.478 -0.399 1.117 1.00 0.00 C ATOM 0 H THR A 16 -10.552 1.660 -0.582 1.00 0.00 H new ATOM 0 HA THR A 16 -12.367 2.079 1.517 1.00 0.00 H new ATOM 0 HB THR A 16 -11.568 -0.498 0.184 1.00 0.00 H new ATOM 0 HG1 THR A 16 -12.127 0.850 -1.494 1.00 0.00 H new ATOM 0 HG21 THR A 16 -13.932 -1.162 0.485 1.00 0.00 H new ATOM 0 HG22 THR A 16 -13.104 -0.860 2.031 1.00 0.00 H new ATOM 0 HG23 THR A 16 -14.225 0.354 1.369 1.00 0.00 H new ATOM 258 N LEU A 17 -9.777 0.197 2.252 1.00 0.00 N ATOM 259 CA LEU A 17 -9.052 -0.424 3.356 1.00 0.00 C ATOM 260 C LEU A 17 -8.498 0.627 4.313 1.00 0.00 C ATOM 261 O LEU A 17 -8.489 0.429 5.528 1.00 0.00 O ATOM 262 CB LEU A 17 -7.913 -1.294 2.819 1.00 0.00 C ATOM 263 CG LEU A 17 -7.669 -2.590 3.594 1.00 0.00 C ATOM 264 CD1 LEU A 17 -6.908 -3.589 2.735 1.00 0.00 C ATOM 265 CD2 LEU A 17 -6.913 -2.306 4.882 1.00 0.00 C ATOM 0 H LEU A 17 -9.283 0.180 1.360 1.00 0.00 H new ATOM 0 HA LEU A 17 -9.753 -1.051 3.907 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.126 -1.544 1.780 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.994 -0.707 2.824 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.635 -3.025 3.852 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.743 -4.505 3.302 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.488 -3.816 1.840 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.947 -3.163 2.446 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.748 -3.239 5.420 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.952 -1.848 4.647 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.496 -1.626 5.504 1.00 0.00 H new ATOM 277 N ARG A 18 -8.031 1.741 3.760 1.00 0.00 N ATOM 278 CA ARG A 18 -7.470 2.818 4.568 1.00 0.00 C ATOM 279 C ARG A 18 -8.554 3.518 5.383 1.00 0.00 C ATOM 280 O ARG A 18 -8.325 3.915 6.525 1.00 0.00 O ATOM 281 CB ARG A 18 -6.753 3.833 3.676 1.00 0.00 C ATOM 282 CG ARG A 18 -5.771 4.717 4.427 1.00 0.00 C ATOM 283 CD ARG A 18 -6.301 6.133 4.586 1.00 0.00 C ATOM 284 NE ARG A 18 -5.269 7.055 5.054 1.00 0.00 N ATOM 285 CZ ARG A 18 -5.519 8.285 5.497 1.00 0.00 C ATOM 286 NH1 ARG A 18 -6.764 8.745 5.534 1.00 0.00 N ATOM 287 NH2 ARG A 18 -4.522 9.059 5.904 1.00 0.00 N ATOM 0 H ARG A 18 -8.030 1.922 2.756 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.752 2.378 5.260 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.220 3.300 2.889 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.496 4.463 3.187 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.574 4.289 5.410 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.821 4.741 3.893 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.693 6.483 3.631 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -7.133 6.132 5.291 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.300 6.737 5.040 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.535 8.155 5.222 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.949 9.688 5.875 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.563 8.712 5.878 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.714 10.002 6.243 1.00 0.00 H new ATOM 301 N GLN A 19 -9.733 3.670 4.788 1.00 0.00 N ATOM 302 CA GLN A 19 -10.848 4.326 5.462 1.00 0.00 C ATOM 303 C GLN A 19 -11.534 3.380 6.443 1.00 0.00 C ATOM 304 O GLN A 19 -12.108 3.815 7.440 1.00 0.00 O ATOM 305 CB GLN A 19 -11.861 4.840 4.436 1.00 0.00 C ATOM 306 CG GLN A 19 -12.544 3.735 3.646 1.00 0.00 C ATOM 307 CD GLN A 19 -14.055 3.851 3.665 1.00 0.00 C ATOM 308 OE1 GLN A 19 -14.657 4.098 4.710 1.00 0.00 O ATOM 309 NE2 GLN A 19 -14.677 3.674 2.505 1.00 0.00 N ATOM 0 H GLN A 19 -9.941 3.349 3.843 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.449 5.170 6.025 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -12.620 5.429 4.951 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -11.354 5.511 3.742 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -12.194 3.762 2.614 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -12.253 2.768 4.056 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -14.138 3.471 1.663 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -15.694 3.741 2.456 1.00 0.00 H new ATOM 318 N ARG A 20 -11.473 2.084 6.153 1.00 0.00 N ATOM 319 CA ARG A 20 -12.091 1.080 7.012 1.00 0.00 C ATOM 320 C ARG A 20 -11.196 0.752 8.203 1.00 0.00 C ATOM 321 O ARG A 20 -11.662 0.676 9.340 1.00 0.00 O ATOM 322 CB ARG A 20 -12.388 -0.191 6.214 1.00 0.00 C ATOM 323 CG ARG A 20 -13.689 -0.125 5.432 1.00 0.00 C ATOM 324 CD ARG A 20 -14.186 -1.512 5.056 1.00 0.00 C ATOM 325 NE ARG A 20 -15.559 -1.484 4.559 1.00 0.00 N ATOM 326 CZ ARG A 20 -16.303 -2.571 4.372 1.00 0.00 C ATOM 327 NH1 ARG A 20 -15.810 -3.775 4.637 1.00 0.00 N ATOM 328 NH2 ARG A 20 -17.544 -2.455 3.920 1.00 0.00 N ATOM 0 H ARG A 20 -11.003 1.705 5.331 1.00 0.00 H new ATOM 0 HA ARG A 20 -13.027 1.490 7.390 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -11.566 -0.377 5.522 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -12.427 -1.039 6.898 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -14.447 0.385 6.027 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -13.542 0.467 4.529 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -13.533 -1.937 4.294 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -14.128 -2.166 5.926 1.00 0.00 H new ATOM 0 HE ARG A 20 -15.972 -0.577 4.342 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -14.856 -3.870 4.986 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -16.385 -4.605 4.492 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -17.928 -1.532 3.716 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -18.115 -3.288 3.777 1.00 0.00 H new ATOM 342 N CYS A 21 -9.908 0.558 7.935 1.00 0.00 N ATOM 343 CA CYS A 21 -8.949 0.238 8.987 1.00 0.00 C ATOM 344 C CYS A 21 -8.292 1.502 9.542 1.00 0.00 C ATOM 345 O CYS A 21 -7.285 1.428 10.246 1.00 0.00 O ATOM 346 CB CYS A 21 -7.877 -0.715 8.454 1.00 0.00 C ATOM 347 SG CYS A 21 -8.169 -2.453 8.859 1.00 0.00 S ATOM 0 H CYS A 21 -9.505 0.617 7.000 1.00 0.00 H new ATOM 0 HA CYS A 21 -9.492 -0.248 9.798 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -7.819 -0.610 7.371 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -6.909 -0.417 8.856 1.00 0.00 H new ATOM 0 HG CYS A 21 -7.212 -3.181 8.364 1.00 0.00 H new ATOM 353 N ALA A 22 -8.864 2.660 9.221 1.00 0.00 N ATOM 354 CA ALA A 22 -8.330 3.934 9.689 1.00 0.00 C ATOM 355 C ALA A 22 -8.228 3.972 11.213 1.00 0.00 C ATOM 356 O ALA A 22 -7.181 4.314 11.762 1.00 0.00 O ATOM 357 CB ALA A 22 -9.195 5.082 9.188 1.00 0.00 C ATOM 0 H ALA A 22 -9.697 2.741 8.639 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.323 4.044 9.286 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.786 6.028 9.544 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -9.208 5.079 8.098 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -10.211 4.962 9.563 1.00 0.00 H new ATOM 363 N PRO A 23 -9.319 3.626 11.920 1.00 0.00 N ATOM 364 CA PRO A 23 -9.349 3.630 13.383 1.00 0.00 C ATOM 365 C PRO A 23 -8.816 2.336 13.998 1.00 0.00 C ATOM 366 O PRO A 23 -9.197 1.967 15.109 1.00 0.00 O ATOM 367 CB PRO A 23 -10.837 3.784 13.679 1.00 0.00 C ATOM 368 CG PRO A 23 -11.516 3.074 12.557 1.00 0.00 C ATOM 369 CD PRO A 23 -10.618 3.216 11.350 1.00 0.00 C ATOM 0 HA PRO A 23 -8.716 4.411 13.804 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -11.098 3.345 14.642 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -11.127 4.834 13.718 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.673 2.023 12.802 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -12.498 3.506 12.363 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -10.535 2.278 10.801 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.001 3.961 10.652 1.00 0.00 H new ATOM 377 N VAL A 24 -7.934 1.650 13.276 1.00 0.00 N ATOM 378 CA VAL A 24 -7.356 0.402 13.764 1.00 0.00 C ATOM 379 C VAL A 24 -5.889 0.585 14.146 1.00 0.00 C ATOM 380 O VAL A 24 -5.121 -0.376 14.175 1.00 0.00 O ATOM 381 CB VAL A 24 -7.466 -0.718 12.711 1.00 0.00 C ATOM 382 CG1 VAL A 24 -7.081 -2.060 13.314 1.00 0.00 C ATOM 383 CG2 VAL A 24 -8.872 -0.771 12.133 1.00 0.00 C ATOM 0 H VAL A 24 -7.605 1.936 12.354 1.00 0.00 H new ATOM 0 HA VAL A 24 -7.925 0.116 14.649 1.00 0.00 H new ATOM 0 HB VAL A 24 -6.771 -0.497 11.901 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -7.165 -2.838 12.555 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -6.054 -2.015 13.675 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.748 -2.290 14.145 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -8.931 -1.568 11.391 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.587 -0.966 12.932 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -9.107 0.183 11.660 1.00 0.00 H new ATOM 393 N SER A 25 -5.506 1.825 14.438 1.00 0.00 N ATOM 394 CA SER A 25 -4.132 2.131 14.819 1.00 0.00 C ATOM 395 C SER A 25 -3.834 1.635 16.230 1.00 0.00 C ATOM 396 O SER A 25 -2.701 1.272 16.544 1.00 0.00 O ATOM 397 CB SER A 25 -3.881 3.638 14.732 1.00 0.00 C ATOM 398 OG SER A 25 -4.564 4.206 13.628 1.00 0.00 O ATOM 0 H SER A 25 -6.128 2.633 14.418 1.00 0.00 H new ATOM 0 HA SER A 25 -3.466 1.617 14.125 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.210 4.118 15.653 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.812 3.827 14.638 1.00 0.00 H new ATOM 0 HG SER A 25 -4.389 5.170 13.595 1.00 0.00 H new ATOM 404 N GLN A 26 -4.859 1.622 17.077 1.00 0.00 N ATOM 405 CA GLN A 26 -4.706 1.170 18.455 1.00 0.00 C ATOM 406 C GLN A 26 -4.215 -0.274 18.503 1.00 0.00 C ATOM 407 O GLN A 26 -3.445 -0.649 19.387 1.00 0.00 O ATOM 408 CB GLN A 26 -6.033 1.295 19.206 1.00 0.00 C ATOM 409 CG GLN A 26 -5.869 1.462 20.708 1.00 0.00 C ATOM 410 CD GLN A 26 -6.118 2.885 21.166 1.00 0.00 C ATOM 411 OE1 GLN A 26 -7.263 3.327 21.264 1.00 0.00 O ATOM 412 NE2 GLN A 26 -5.044 3.613 21.450 1.00 0.00 N ATOM 0 H GLN A 26 -5.804 1.919 16.833 1.00 0.00 H new ATOM 0 HA GLN A 26 -3.962 1.804 18.938 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -6.585 2.149 18.812 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.636 0.408 19.011 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -6.559 0.793 21.222 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.861 1.163 20.995 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -4.113 3.207 21.355 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -5.150 4.578 21.763 1.00 0.00 H new ATOM 421 N PHE A 27 -4.666 -1.078 17.545 1.00 0.00 N ATOM 422 CA PHE A 27 -4.273 -2.481 17.477 1.00 0.00 C ATOM 423 C PHE A 27 -3.413 -2.748 16.245 1.00 0.00 C ATOM 424 O PHE A 27 -3.374 -3.868 15.735 1.00 0.00 O ATOM 425 CB PHE A 27 -5.511 -3.378 17.452 1.00 0.00 C ATOM 426 CG PHE A 27 -6.146 -3.560 18.800 1.00 0.00 C ATOM 427 CD1 PHE A 27 -5.649 -4.495 19.694 1.00 0.00 C ATOM 428 CD2 PHE A 27 -7.240 -2.797 19.175 1.00 0.00 C ATOM 429 CE1 PHE A 27 -6.230 -4.665 20.936 1.00 0.00 C ATOM 430 CE2 PHE A 27 -7.826 -2.962 20.415 1.00 0.00 C ATOM 431 CZ PHE A 27 -7.320 -3.898 21.297 1.00 0.00 C ATOM 0 H PHE A 27 -5.303 -0.782 16.806 1.00 0.00 H new ATOM 0 HA PHE A 27 -3.684 -2.710 18.365 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.245 -2.952 16.768 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -5.234 -4.355 17.055 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.797 -5.098 19.417 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -7.640 -2.064 18.489 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.832 -5.397 21.624 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -8.678 -2.360 20.695 1.00 0.00 H new ATOM 0 HZ PHE A 27 -7.776 -4.029 22.267 1.00 0.00 H new ATOM 441 N ALA A 28 -2.725 -1.714 15.770 1.00 0.00 N ATOM 442 CA ALA A 28 -1.868 -1.841 14.598 1.00 0.00 C ATOM 443 C ALA A 28 -0.565 -2.553 14.945 1.00 0.00 C ATOM 444 O ALA A 28 0.179 -2.115 15.823 1.00 0.00 O ATOM 445 CB ALA A 28 -1.579 -0.470 14.006 1.00 0.00 C ATOM 0 H ALA A 28 -2.745 -0.780 16.179 1.00 0.00 H new ATOM 0 HA ALA A 28 -2.394 -2.443 13.857 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.938 -0.579 13.131 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.515 0.004 13.713 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.076 0.149 14.749 1.00 0.00 H new ATOM 451 N THR A 29 -0.295 -3.653 14.251 1.00 0.00 N ATOM 452 CA THR A 29 0.918 -4.427 14.484 1.00 0.00 C ATOM 453 C THR A 29 1.385 -5.106 13.201 1.00 0.00 C ATOM 454 O THR A 29 0.618 -5.815 12.548 1.00 0.00 O ATOM 455 CB THR A 29 0.679 -5.474 15.573 1.00 0.00 C ATOM 456 OG1 THR A 29 0.108 -4.878 16.724 1.00 0.00 O ATOM 457 CG2 THR A 29 1.942 -6.188 16.004 1.00 0.00 C ATOM 0 H THR A 29 -0.901 -4.029 13.522 1.00 0.00 H new ATOM 0 HA THR A 29 1.698 -3.742 14.815 1.00 0.00 H new ATOM 0 HB THR A 29 0.002 -6.204 15.129 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.039 -5.564 17.409 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.702 -6.917 16.778 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.381 -6.700 15.148 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.654 -5.462 16.397 1.00 0.00 H new ATOM 465 N LEU A 30 2.645 -4.885 12.844 1.00 0.00 N ATOM 466 CA LEU A 30 3.213 -5.476 11.637 1.00 0.00 C ATOM 467 C LEU A 30 4.093 -6.673 11.981 1.00 0.00 C ATOM 468 O LEU A 30 4.790 -6.674 12.995 1.00 0.00 O ATOM 469 CB LEU A 30 4.025 -4.432 10.866 1.00 0.00 C ATOM 470 CG LEU A 30 3.291 -3.780 9.693 1.00 0.00 C ATOM 471 CD1 LEU A 30 4.143 -2.682 9.075 1.00 0.00 C ATOM 472 CD2 LEU A 30 2.924 -4.824 8.649 1.00 0.00 C ATOM 0 H LEU A 30 3.293 -4.301 13.373 1.00 0.00 H new ATOM 0 HA LEU A 30 2.392 -5.821 11.009 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.336 -3.651 11.560 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.932 -4.905 10.490 1.00 0.00 H new ATOM 0 HG LEU A 30 2.372 -3.330 10.068 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.605 -2.229 8.242 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.356 -1.921 9.826 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.079 -3.108 8.714 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.402 -4.343 7.821 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.831 -5.302 8.278 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.276 -5.576 9.099 1.00 0.00 H new ATOM 484 N SER A 31 4.056 -7.692 11.128 1.00 0.00 N ATOM 485 CA SER A 31 4.850 -8.896 11.340 1.00 0.00 C ATOM 486 C SER A 31 6.341 -8.577 11.315 1.00 0.00 C ATOM 487 O SER A 31 6.741 -7.456 11.003 1.00 0.00 O ATOM 488 CB SER A 31 4.523 -9.942 10.272 1.00 0.00 C ATOM 489 OG SER A 31 3.158 -9.878 9.898 1.00 0.00 O ATOM 0 H SER A 31 3.484 -7.707 10.283 1.00 0.00 H new ATOM 0 HA SER A 31 4.599 -9.298 12.322 1.00 0.00 H new ATOM 0 HB2 SER A 31 5.151 -9.781 9.396 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.753 -10.938 10.651 1.00 0.00 H new ATOM 0 HG SER A 31 3.074 -9.399 9.047 1.00 0.00 H new ATOM 495 N ALA A 32 7.159 -9.571 11.647 1.00 0.00 N ATOM 496 CA ALA A 32 8.606 -9.397 11.663 1.00 0.00 C ATOM 497 C ALA A 32 9.226 -9.719 10.303 1.00 0.00 C ATOM 498 O ALA A 32 10.445 -9.662 10.142 1.00 0.00 O ATOM 499 CB ALA A 32 9.226 -10.269 12.745 1.00 0.00 C ATOM 0 H ALA A 32 6.844 -10.505 11.908 1.00 0.00 H new ATOM 0 HA ALA A 32 8.815 -8.350 11.883 1.00 0.00 H new ATOM 0 HB1 ALA A 32 10.307 -10.131 12.748 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.821 -9.986 13.717 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.994 -11.315 12.546 1.00 0.00 H new ATOM 505 N ARG A 33 8.385 -10.057 9.328 1.00 0.00 N ATOM 506 CA ARG A 33 8.862 -10.385 7.989 1.00 0.00 C ATOM 507 C ARG A 33 8.792 -9.171 7.066 1.00 0.00 C ATOM 508 O ARG A 33 8.767 -9.311 5.843 1.00 0.00 O ATOM 509 CB ARG A 33 8.040 -11.533 7.401 1.00 0.00 C ATOM 510 CG ARG A 33 8.485 -12.907 7.877 1.00 0.00 C ATOM 511 CD ARG A 33 7.297 -13.803 8.187 1.00 0.00 C ATOM 512 NE ARG A 33 6.648 -13.436 9.444 1.00 0.00 N ATOM 513 CZ ARG A 33 7.135 -13.739 10.645 1.00 0.00 C ATOM 514 NH1 ARG A 33 8.272 -14.414 10.757 1.00 0.00 N ATOM 515 NH2 ARG A 33 6.483 -13.366 11.738 1.00 0.00 N ATOM 0 H ARG A 33 7.373 -10.111 9.441 1.00 0.00 H new ATOM 0 HA ARG A 33 9.904 -10.694 8.070 1.00 0.00 H new ATOM 0 HB2 ARG A 33 6.992 -11.389 7.662 1.00 0.00 H new ATOM 0 HB3 ARG A 33 8.105 -11.496 6.314 1.00 0.00 H new ATOM 0 HG2 ARG A 33 9.105 -13.375 7.112 1.00 0.00 H new ATOM 0 HG3 ARG A 33 9.104 -12.801 8.768 1.00 0.00 H new ATOM 0 HD2 ARG A 33 6.574 -13.741 7.374 1.00 0.00 H new ATOM 0 HD3 ARG A 33 7.629 -14.840 8.240 1.00 0.00 H new ATOM 0 HE ARG A 33 5.771 -12.917 9.398 1.00 0.00 H new ATOM 0 HH11 ARG A 33 8.778 -14.704 9.920 1.00 0.00 H new ATOM 0 HH12 ARG A 33 8.640 -14.643 11.680 1.00 0.00 H new ATOM 0 HH21 ARG A 33 5.609 -12.847 11.658 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.856 -13.598 12.659 1.00 0.00 H new ATOM 529 N PHE A 34 8.760 -7.979 7.656 1.00 0.00 N ATOM 530 CA PHE A 34 8.693 -6.747 6.888 1.00 0.00 C ATOM 531 C PHE A 34 9.928 -6.583 6.008 1.00 0.00 C ATOM 532 O PHE A 34 11.054 -6.807 6.454 1.00 0.00 O ATOM 533 CB PHE A 34 8.561 -5.555 7.834 1.00 0.00 C ATOM 534 CG PHE A 34 9.685 -5.447 8.825 1.00 0.00 C ATOM 535 CD1 PHE A 34 10.913 -4.930 8.446 1.00 0.00 C ATOM 536 CD2 PHE A 34 9.513 -5.864 10.135 1.00 0.00 C ATOM 537 CE1 PHE A 34 11.949 -4.830 9.355 1.00 0.00 C ATOM 538 CE2 PHE A 34 10.545 -5.767 11.049 1.00 0.00 C ATOM 539 CZ PHE A 34 11.765 -5.249 10.658 1.00 0.00 C ATOM 0 H PHE A 34 8.780 -7.844 8.667 1.00 0.00 H new ATOM 0 HA PHE A 34 7.818 -6.793 6.239 1.00 0.00 H new ATOM 0 HB2 PHE A 34 8.517 -4.638 7.246 1.00 0.00 H new ATOM 0 HB3 PHE A 34 7.618 -5.633 8.374 1.00 0.00 H new ATOM 0 HD1 PHE A 34 11.062 -4.601 7.428 1.00 0.00 H new ATOM 0 HD2 PHE A 34 8.561 -6.270 10.445 1.00 0.00 H new ATOM 0 HE1 PHE A 34 12.901 -4.425 9.047 1.00 0.00 H new ATOM 0 HE2 PHE A 34 10.398 -6.096 12.067 1.00 0.00 H new ATOM 0 HZ PHE A 34 12.573 -5.172 11.370 1.00 0.00 H new ATOM 549 N ASP A 35 9.710 -6.191 4.758 1.00 0.00 N ATOM 550 CA ASP A 35 10.806 -5.995 3.815 1.00 0.00 C ATOM 551 C ASP A 35 10.964 -4.520 3.465 1.00 0.00 C ATOM 552 O ASP A 35 9.994 -3.848 3.115 1.00 0.00 O ATOM 553 CB ASP A 35 10.566 -6.810 2.543 1.00 0.00 C ATOM 554 CG ASP A 35 11.859 -7.295 1.916 1.00 0.00 C ATOM 555 OD1 ASP A 35 12.440 -8.271 2.434 1.00 0.00 O ATOM 556 OD2 ASP A 35 12.289 -6.699 0.906 1.00 0.00 O ATOM 0 H ASP A 35 8.784 -6.002 4.373 1.00 0.00 H new ATOM 0 HA ASP A 35 11.725 -6.339 4.289 1.00 0.00 H new ATOM 0 HB2 ASP A 35 9.935 -7.667 2.777 1.00 0.00 H new ATOM 0 HB3 ASP A 35 10.021 -6.201 1.822 1.00 0.00 H new ATOM 561 N ARG A 36 12.191 -4.021 3.563 1.00 0.00 N ATOM 562 CA ARG A 36 12.475 -2.623 3.257 1.00 0.00 C ATOM 563 C ARG A 36 12.197 -2.314 1.788 1.00 0.00 C ATOM 564 O ARG A 36 11.964 -1.162 1.421 1.00 0.00 O ATOM 565 CB ARG A 36 13.930 -2.292 3.593 1.00 0.00 C ATOM 566 CG ARG A 36 14.934 -3.241 2.957 1.00 0.00 C ATOM 567 CD ARG A 36 16.018 -3.650 3.942 1.00 0.00 C ATOM 568 NE ARG A 36 16.775 -4.809 3.475 1.00 0.00 N ATOM 569 CZ ARG A 36 16.337 -6.063 3.559 1.00 0.00 C ATOM 570 NH1 ARG A 36 15.149 -6.324 4.090 1.00 0.00 N ATOM 571 NH2 ARG A 36 17.088 -7.059 3.110 1.00 0.00 N ATOM 0 H ARG A 36 13.005 -4.563 3.852 1.00 0.00 H new ATOM 0 HA ARG A 36 11.817 -2.005 3.868 1.00 0.00 H new ATOM 0 HB2 ARG A 36 14.147 -1.275 3.266 1.00 0.00 H new ATOM 0 HB3 ARG A 36 14.058 -2.313 4.675 1.00 0.00 H new ATOM 0 HG2 ARG A 36 14.417 -4.129 2.594 1.00 0.00 H new ATOM 0 HG3 ARG A 36 15.390 -2.762 2.091 1.00 0.00 H new ATOM 0 HD2 ARG A 36 16.698 -2.813 4.100 1.00 0.00 H new ATOM 0 HD3 ARG A 36 15.564 -3.879 4.906 1.00 0.00 H new ATOM 0 HE ARG A 36 17.693 -4.648 3.060 1.00 0.00 H new ATOM 0 HH11 ARG A 36 14.567 -5.562 4.436 1.00 0.00 H new ATOM 0 HH12 ARG A 36 14.818 -7.287 4.152 1.00 0.00 H new ATOM 0 HH21 ARG A 36 18.002 -6.864 2.700 1.00 0.00 H new ATOM 0 HH22 ARG A 36 16.752 -8.020 3.174 1.00 0.00 H new ATOM 585 N HIS A 37 12.226 -3.346 0.950 1.00 0.00 N ATOM 586 CA HIS A 37 11.979 -3.178 -0.478 1.00 0.00 C ATOM 587 C HIS A 37 10.483 -3.104 -0.772 1.00 0.00 C ATOM 588 O HIS A 37 10.052 -2.376 -1.666 1.00 0.00 O ATOM 589 CB HIS A 37 12.607 -4.329 -1.264 1.00 0.00 C ATOM 590 CG HIS A 37 12.977 -3.963 -2.668 1.00 0.00 C ATOM 591 ND1 HIS A 37 14.221 -3.480 -3.018 1.00 0.00 N ATOM 592 CD2 HIS A 37 12.259 -4.012 -3.815 1.00 0.00 C ATOM 593 CE1 HIS A 37 14.251 -3.246 -4.318 1.00 0.00 C ATOM 594 NE2 HIS A 37 13.073 -3.561 -4.825 1.00 0.00 N ATOM 0 H HIS A 37 12.418 -4.306 1.235 1.00 0.00 H new ATOM 0 HA HIS A 37 12.437 -2.239 -0.790 1.00 0.00 H new ATOM 0 HB2 HIS A 37 13.499 -4.672 -0.740 1.00 0.00 H new ATOM 0 HB3 HIS A 37 11.909 -5.166 -1.287 1.00 0.00 H new ATOM 0 HD2 HIS A 37 11.236 -4.344 -3.917 1.00 0.00 H new ATOM 0 HE1 HIS A 37 15.095 -2.862 -4.872 1.00 0.00 H new ATOM 0 HE2 HIS A 37 12.810 -3.482 -5.807 1.00 0.00 H new ATOM 603 N LEU A 38 9.697 -3.863 -0.016 1.00 0.00 N ATOM 604 CA LEU A 38 8.250 -3.884 -0.200 1.00 0.00 C ATOM 605 C LEU A 38 7.579 -2.772 0.600 1.00 0.00 C ATOM 606 O LEU A 38 6.532 -2.256 0.207 1.00 0.00 O ATOM 607 CB LEU A 38 7.682 -5.242 0.217 1.00 0.00 C ATOM 608 CG LEU A 38 8.274 -6.445 -0.519 1.00 0.00 C ATOM 609 CD1 LEU A 38 7.751 -7.744 0.074 1.00 0.00 C ATOM 610 CD2 LEU A 38 7.956 -6.369 -2.005 1.00 0.00 C ATOM 0 H LEU A 38 10.037 -4.471 0.729 1.00 0.00 H new ATOM 0 HA LEU A 38 8.043 -3.719 -1.257 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.845 -5.374 1.287 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.604 -5.232 0.057 1.00 0.00 H new ATOM 0 HG LEU A 38 9.357 -6.425 -0.397 1.00 0.00 H new ATOM 0 HD11 LEU A 38 8.183 -8.589 -0.462 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.029 -7.802 1.126 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.665 -7.774 -0.016 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.385 -7.233 -2.513 1.00 0.00 H new ATOM 0 HD22 LEU A 38 6.875 -6.364 -2.146 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.380 -5.455 -2.422 1.00 0.00 H new ATOM 622 N PHE A 39 8.187 -2.407 1.724 1.00 0.00 N ATOM 623 CA PHE A 39 7.646 -1.356 2.579 1.00 0.00 C ATOM 624 C PHE A 39 8.668 -0.243 2.785 1.00 0.00 C ATOM 625 O PHE A 39 9.854 -0.415 2.505 1.00 0.00 O ATOM 626 CB PHE A 39 7.227 -1.935 3.931 1.00 0.00 C ATOM 627 CG PHE A 39 6.144 -2.971 3.831 1.00 0.00 C ATOM 628 CD1 PHE A 39 4.863 -2.617 3.437 1.00 0.00 C ATOM 629 CD2 PHE A 39 6.406 -4.298 4.130 1.00 0.00 C ATOM 630 CE1 PHE A 39 3.865 -3.567 3.344 1.00 0.00 C ATOM 631 CE2 PHE A 39 5.412 -5.253 4.038 1.00 0.00 C ATOM 632 CZ PHE A 39 4.139 -4.887 3.645 1.00 0.00 C ATOM 0 H PHE A 39 9.054 -2.823 2.064 1.00 0.00 H new ATOM 0 HA PHE A 39 6.771 -0.935 2.085 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.099 -2.378 4.413 1.00 0.00 H new ATOM 0 HB3 PHE A 39 6.885 -1.124 4.574 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.643 -1.587 3.200 1.00 0.00 H new ATOM 0 HD2 PHE A 39 7.399 -4.589 4.439 1.00 0.00 H new ATOM 0 HE1 PHE A 39 2.871 -3.278 3.036 1.00 0.00 H new ATOM 0 HE2 PHE A 39 5.630 -6.284 4.273 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.360 -5.631 3.573 1.00 0.00 H new ATOM 642 N GLN A 40 8.200 0.900 3.276 1.00 0.00 N ATOM 643 CA GLN A 40 9.074 2.041 3.519 1.00 0.00 C ATOM 644 C GLN A 40 9.619 2.015 4.944 1.00 0.00 C ATOM 645 O GLN A 40 9.215 1.186 5.760 1.00 0.00 O ATOM 646 CB GLN A 40 8.319 3.350 3.268 1.00 0.00 C ATOM 647 CG GLN A 40 8.943 4.211 2.182 1.00 0.00 C ATOM 648 CD GLN A 40 9.162 5.644 2.626 1.00 0.00 C ATOM 649 OE1 GLN A 40 10.197 5.976 3.203 1.00 0.00 O ATOM 650 NE2 GLN A 40 8.184 6.502 2.359 1.00 0.00 N ATOM 0 H GLN A 40 7.221 1.060 3.513 1.00 0.00 H new ATOM 0 HA GLN A 40 9.915 1.978 2.829 1.00 0.00 H new ATOM 0 HB2 GLN A 40 7.290 3.120 2.992 1.00 0.00 H new ATOM 0 HB3 GLN A 40 8.280 3.921 4.196 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.897 3.777 1.884 1.00 0.00 H new ATOM 0 HG3 GLN A 40 8.300 4.202 1.302 1.00 0.00 H new ATOM 0 HE21 GLN A 40 7.343 6.183 1.878 1.00 0.00 H new ATOM 0 HE22 GLN A 40 8.274 7.480 2.635 1.00 0.00 H new ATOM 659 N THR A 41 10.540 2.928 5.236 1.00 0.00 N ATOM 660 CA THR A 41 11.142 3.011 6.562 1.00 0.00 C ATOM 661 C THR A 41 10.121 3.466 7.602 1.00 0.00 C ATOM 662 O THR A 41 10.288 3.219 8.796 1.00 0.00 O ATOM 663 CB THR A 41 12.331 3.973 6.545 1.00 0.00 C ATOM 664 OG1 THR A 41 12.903 4.085 7.836 1.00 0.00 O ATOM 665 CG2 THR A 41 11.967 5.366 6.080 1.00 0.00 C ATOM 0 H THR A 41 10.886 3.621 4.572 1.00 0.00 H new ATOM 0 HA THR A 41 11.490 2.015 6.836 1.00 0.00 H new ATOM 0 HB THR A 41 13.039 3.545 5.835 1.00 0.00 H new ATOM 0 HG1 THR A 41 13.663 4.703 7.805 1.00 0.00 H new ATOM 0 HG21 THR A 41 12.856 5.997 6.092 1.00 0.00 H new ATOM 0 HG22 THR A 41 11.569 5.319 5.066 1.00 0.00 H new ATOM 0 HG23 THR A 41 11.214 5.787 6.746 1.00 0.00 H new ATOM 673 N ARG A 42 9.065 4.133 7.143 1.00 0.00 N ATOM 674 CA ARG A 42 8.021 4.621 8.038 1.00 0.00 C ATOM 675 C ARG A 42 6.861 3.632 8.124 1.00 0.00 C ATOM 676 O ARG A 42 5.745 4.003 8.488 1.00 0.00 O ATOM 677 CB ARG A 42 7.511 5.983 7.562 1.00 0.00 C ATOM 678 CG ARG A 42 7.235 6.958 8.694 1.00 0.00 C ATOM 679 CD ARG A 42 7.226 8.396 8.201 1.00 0.00 C ATOM 680 NE ARG A 42 7.215 9.354 9.304 1.00 0.00 N ATOM 681 CZ ARG A 42 7.552 10.636 9.176 1.00 0.00 C ATOM 682 NH1 ARG A 42 7.927 11.116 7.997 1.00 0.00 N ATOM 683 NH2 ARG A 42 7.514 11.439 10.231 1.00 0.00 N ATOM 0 H ARG A 42 8.910 4.347 6.158 1.00 0.00 H new ATOM 0 HA ARG A 42 8.454 4.727 9.033 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.246 6.421 6.887 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.596 5.839 6.987 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.274 6.723 9.152 1.00 0.00 H new ATOM 0 HG3 ARG A 42 7.994 6.842 9.468 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.103 8.571 7.578 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.351 8.558 7.572 1.00 0.00 H new ATOM 0 HE ARG A 42 6.933 9.021 10.226 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.958 10.502 7.183 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.184 12.099 7.905 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.227 11.074 11.139 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.772 12.421 10.134 1.00 0.00 H new ATOM 697 N ALA A 43 7.128 2.372 7.788 1.00 0.00 N ATOM 698 CA ALA A 43 6.103 1.337 7.830 1.00 0.00 C ATOM 699 C ALA A 43 6.446 0.269 8.863 1.00 0.00 C ATOM 700 O ALA A 43 7.120 -0.713 8.555 1.00 0.00 O ATOM 701 CB ALA A 43 5.933 0.708 6.456 1.00 0.00 C ATOM 0 H ALA A 43 8.045 2.045 7.484 1.00 0.00 H new ATOM 0 HA ALA A 43 5.162 1.802 8.124 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.164 -0.064 6.502 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.636 1.474 5.739 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.876 0.262 6.141 1.00 0.00 H new ATOM 707 N THR A 44 5.977 0.468 10.091 1.00 0.00 N ATOM 708 CA THR A 44 6.235 -0.479 11.171 1.00 0.00 C ATOM 709 C THR A 44 4.944 -0.869 11.889 1.00 0.00 C ATOM 710 O THR A 44 4.981 -1.450 12.973 1.00 0.00 O ATOM 711 CB THR A 44 7.227 0.117 12.171 1.00 0.00 C ATOM 712 OG1 THR A 44 6.743 1.345 12.685 1.00 0.00 O ATOM 713 CG2 THR A 44 8.594 0.376 11.575 1.00 0.00 C ATOM 0 H THR A 44 5.417 1.276 10.363 1.00 0.00 H new ATOM 0 HA THR A 44 6.664 -1.379 10.730 1.00 0.00 H new ATOM 0 HB THR A 44 7.327 -0.629 12.959 1.00 0.00 H new ATOM 0 HG1 THR A 44 7.390 1.710 13.324 1.00 0.00 H new ATOM 0 HG21 THR A 44 9.249 0.799 12.337 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.016 -0.561 11.212 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.502 1.077 10.746 1.00 0.00 H new ATOM 721 N THR A 45 3.804 -0.548 11.282 1.00 0.00 N ATOM 722 CA THR A 45 2.509 -0.869 11.873 1.00 0.00 C ATOM 723 C THR A 45 1.418 -0.903 10.807 1.00 0.00 C ATOM 724 O THR A 45 1.611 -0.420 9.691 1.00 0.00 O ATOM 725 CB THR A 45 2.152 0.150 12.955 1.00 0.00 C ATOM 726 OG1 THR A 45 2.791 1.390 12.707 1.00 0.00 O ATOM 727 CG2 THR A 45 2.540 -0.295 14.348 1.00 0.00 C ATOM 0 H THR A 45 3.751 -0.067 10.384 1.00 0.00 H new ATOM 0 HA THR A 45 2.579 -1.858 12.326 1.00 0.00 H new ATOM 0 HB THR A 45 1.067 0.249 12.911 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.549 2.029 13.409 1.00 0.00 H new ATOM 0 HG21 THR A 45 2.258 0.474 15.067 1.00 0.00 H new ATOM 0 HG22 THR A 45 2.024 -1.224 14.590 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.617 -0.456 14.392 1.00 0.00 H new ATOM 735 N LEU A 46 0.271 -1.475 11.160 1.00 0.00 N ATOM 736 CA LEU A 46 -0.852 -1.570 10.235 1.00 0.00 C ATOM 737 C LEU A 46 -1.302 -0.185 9.782 1.00 0.00 C ATOM 738 O LEU A 46 -1.385 0.091 8.585 1.00 0.00 O ATOM 739 CB LEU A 46 -2.020 -2.309 10.892 1.00 0.00 C ATOM 740 CG LEU A 46 -1.857 -3.827 10.983 1.00 0.00 C ATOM 741 CD1 LEU A 46 -2.914 -4.424 11.899 1.00 0.00 C ATOM 742 CD2 LEU A 46 -1.933 -4.455 9.599 1.00 0.00 C ATOM 0 H LEU A 46 0.095 -1.879 12.080 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.523 -2.130 9.360 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.161 -1.913 11.898 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.930 -2.089 10.333 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.876 -4.043 11.406 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.782 -5.505 11.951 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.813 -3.998 12.897 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.905 -4.198 11.506 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.815 -5.535 9.683 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.900 -4.229 9.150 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.138 -4.051 8.972 1.00 0.00 H new ATOM 754 N GLN A 47 -1.588 0.683 10.747 1.00 0.00 N ATOM 755 CA GLN A 47 -2.027 2.041 10.447 1.00 0.00 C ATOM 756 C GLN A 47 -0.941 2.806 9.699 1.00 0.00 C ATOM 757 O GLN A 47 -1.233 3.675 8.877 1.00 0.00 O ATOM 758 CB GLN A 47 -2.395 2.778 11.736 1.00 0.00 C ATOM 759 CG GLN A 47 -1.216 2.996 12.672 1.00 0.00 C ATOM 760 CD GLN A 47 -0.784 4.448 12.738 1.00 0.00 C ATOM 761 OE1 GLN A 47 -1.519 5.305 13.230 1.00 0.00 O ATOM 762 NE2 GLN A 47 0.415 4.732 12.243 1.00 0.00 N ATOM 0 H GLN A 47 -1.524 0.470 11.743 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.910 1.981 9.810 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.829 3.745 11.480 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -3.165 2.212 12.261 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -1.483 2.654 13.672 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -0.376 2.386 12.340 1.00 0.00 H new ATOM 0 HE21 GLN A 47 0.991 3.990 11.845 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.760 5.692 12.261 1.00 0.00 H new ATOM 771 N ALA A 48 0.314 2.474 9.985 1.00 0.00 N ATOM 772 CA ALA A 48 1.444 3.126 9.337 1.00 0.00 C ATOM 773 C ALA A 48 1.561 2.690 7.881 1.00 0.00 C ATOM 774 O ALA A 48 1.974 3.467 7.020 1.00 0.00 O ATOM 775 CB ALA A 48 2.732 2.821 10.087 1.00 0.00 C ATOM 0 H ALA A 48 0.573 1.756 10.662 1.00 0.00 H new ATOM 0 HA ALA A 48 1.274 4.202 9.357 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.568 3.315 9.591 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.651 3.185 11.111 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.901 1.744 10.097 1.00 0.00 H new ATOM 781 N CYS A 49 1.192 1.441 7.613 1.00 0.00 N ATOM 782 CA CYS A 49 1.252 0.900 6.261 1.00 0.00 C ATOM 783 C CYS A 49 0.221 1.577 5.363 1.00 0.00 C ATOM 784 O CYS A 49 0.560 2.112 4.307 1.00 0.00 O ATOM 785 CB CYS A 49 1.017 -0.613 6.284 1.00 0.00 C ATOM 786 SG CYS A 49 2.500 -1.594 5.954 1.00 0.00 S ATOM 0 H CYS A 49 0.848 0.785 8.315 1.00 0.00 H new ATOM 0 HA CYS A 49 2.245 1.097 5.857 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.618 -0.893 7.259 1.00 0.00 H new ATOM 0 HB3 CYS A 49 0.256 -0.863 5.544 1.00 0.00 H new ATOM 0 HG CYS A 49 2.693 -1.671 4.671 1.00 0.00 H new ATOM 792 N LEU A 50 -1.037 1.552 5.791 1.00 0.00 N ATOM 793 CA LEU A 50 -2.115 2.167 5.026 1.00 0.00 C ATOM 794 C LEU A 50 -1.872 3.663 4.862 1.00 0.00 C ATOM 795 O LEU A 50 -2.062 4.219 3.780 1.00 0.00 O ATOM 796 CB LEU A 50 -3.461 1.928 5.714 1.00 0.00 C ATOM 797 CG LEU A 50 -3.526 2.361 7.179 1.00 0.00 C ATOM 798 CD1 LEU A 50 -3.956 3.816 7.288 1.00 0.00 C ATOM 799 CD2 LEU A 50 -4.476 1.463 7.956 1.00 0.00 C ATOM 0 H LEU A 50 -1.335 1.113 6.662 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.137 1.707 4.038 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.234 2.459 5.159 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.699 0.866 5.654 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.530 2.266 7.611 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.996 4.106 8.338 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.238 4.448 6.765 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.942 3.939 6.840 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.511 1.784 8.997 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.474 1.528 7.523 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.125 0.432 7.906 1.00 0.00 H new ATOM 811 N ASP A 51 -1.447 4.309 5.943 1.00 0.00 N ATOM 812 CA ASP A 51 -1.173 5.741 5.920 1.00 0.00 C ATOM 813 C ASP A 51 -0.031 6.054 4.960 1.00 0.00 C ATOM 814 O ASP A 51 -0.113 6.990 4.164 1.00 0.00 O ATOM 815 CB ASP A 51 -0.828 6.239 7.324 1.00 0.00 C ATOM 816 CG ASP A 51 -1.008 7.737 7.467 1.00 0.00 C ATOM 817 OD1 ASP A 51 -0.364 8.488 6.704 1.00 0.00 O ATOM 818 OD2 ASP A 51 -1.792 8.160 8.342 1.00 0.00 O ATOM 0 H ASP A 51 -1.285 3.863 6.846 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.070 6.255 5.573 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.458 5.729 8.052 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.204 5.976 7.556 1.00 0.00 H new ATOM 823 N GLU A 52 1.034 5.261 5.037 1.00 0.00 N ATOM 824 CA GLU A 52 2.191 5.450 4.172 1.00 0.00 C ATOM 825 C GLU A 52 1.792 5.328 2.706 1.00 0.00 C ATOM 826 O GLU A 52 2.267 6.082 1.856 1.00 0.00 O ATOM 827 CB GLU A 52 3.278 4.426 4.505 1.00 0.00 C ATOM 828 CG GLU A 52 4.275 4.911 5.545 1.00 0.00 C ATOM 829 CD GLU A 52 5.006 6.166 5.110 1.00 0.00 C ATOM 830 OE1 GLU A 52 5.983 6.048 4.341 1.00 0.00 O ATOM 831 OE2 GLU A 52 4.602 7.267 5.540 1.00 0.00 O ATOM 0 H GLU A 52 1.118 4.482 5.690 1.00 0.00 H new ATOM 0 HA GLU A 52 2.585 6.452 4.343 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.806 3.512 4.865 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.815 4.169 3.592 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.752 5.105 6.481 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.001 4.122 5.743 1.00 0.00 H new ATOM 838 N ALA A 53 0.910 4.376 2.418 1.00 0.00 N ATOM 839 CA ALA A 53 0.439 4.158 1.056 1.00 0.00 C ATOM 840 C ALA A 53 -0.283 5.392 0.529 1.00 0.00 C ATOM 841 O ALA A 53 -0.068 5.812 -0.608 1.00 0.00 O ATOM 842 CB ALA A 53 -0.474 2.942 1.001 1.00 0.00 C ATOM 0 H ALA A 53 0.508 3.744 3.110 1.00 0.00 H new ATOM 0 HA ALA A 53 1.304 3.973 0.419 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.818 2.791 -0.022 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.074 2.060 1.333 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -1.333 3.102 1.653 1.00 0.00 H new ATOM 848 N GLY A 54 -1.138 5.971 1.366 1.00 0.00 N ATOM 849 CA GLY A 54 -1.875 7.156 0.969 1.00 0.00 C ATOM 850 C GLY A 54 -0.957 8.316 0.641 1.00 0.00 C ATOM 851 O GLY A 54 -1.204 9.065 -0.304 1.00 0.00 O ATOM 0 H GLY A 54 -1.333 5.641 2.311 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -2.491 6.925 0.100 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.553 7.447 1.772 1.00 0.00 H new ATOM 855 N ASP A 55 0.108 8.461 1.423 1.00 0.00 N ATOM 856 CA ASP A 55 1.072 9.533 1.210 1.00 0.00 C ATOM 857 C ASP A 55 1.917 9.258 -0.029 1.00 0.00 C ATOM 858 O ASP A 55 2.341 10.182 -0.722 1.00 0.00 O ATOM 859 CB ASP A 55 1.976 9.685 2.435 1.00 0.00 C ATOM 860 CG ASP A 55 2.325 11.133 2.720 1.00 0.00 C ATOM 861 OD1 ASP A 55 1.490 11.837 3.327 1.00 0.00 O ATOM 862 OD2 ASP A 55 3.433 11.563 2.337 1.00 0.00 O ATOM 0 H ASP A 55 0.325 7.849 2.210 1.00 0.00 H new ATOM 0 HA ASP A 55 0.522 10.462 1.057 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.479 9.256 3.305 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.893 9.117 2.279 1.00 0.00 H new ATOM 867 N ASN A 56 2.153 7.978 -0.303 1.00 0.00 N ATOM 868 CA ASN A 56 2.943 7.578 -1.461 1.00 0.00 C ATOM 869 C ASN A 56 2.194 7.879 -2.754 1.00 0.00 C ATOM 870 O ASN A 56 2.722 8.537 -3.651 1.00 0.00 O ATOM 871 CB ASN A 56 3.279 6.087 -1.385 1.00 0.00 C ATOM 872 CG ASN A 56 4.264 5.773 -0.275 1.00 0.00 C ATOM 873 OD1 ASN A 56 4.925 6.666 0.254 1.00 0.00 O ATOM 874 ND2 ASN A 56 4.367 4.498 0.082 1.00 0.00 N ATOM 0 H ASN A 56 1.808 7.201 0.261 1.00 0.00 H new ATOM 0 HA ASN A 56 3.870 8.151 -1.456 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.363 5.518 -1.226 1.00 0.00 H new ATOM 0 HB3 ASN A 56 3.694 5.762 -2.339 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.014 4.226 0.822 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.799 3.790 -0.384 1.00 0.00 H new ATOM 881 N LEU A 57 0.959 7.396 -2.842 1.00 0.00 N ATOM 882 CA LEU A 57 0.135 7.618 -4.024 1.00 0.00 C ATOM 883 C LEU A 57 -0.128 9.106 -4.224 1.00 0.00 C ATOM 884 O LEU A 57 -0.189 9.590 -5.354 1.00 0.00 O ATOM 885 CB LEU A 57 -1.191 6.864 -3.898 1.00 0.00 C ATOM 886 CG LEU A 57 -1.984 7.159 -2.624 1.00 0.00 C ATOM 887 CD1 LEU A 57 -2.944 8.317 -2.849 1.00 0.00 C ATOM 888 CD2 LEU A 57 -2.738 5.919 -2.167 1.00 0.00 C ATOM 0 H LEU A 57 0.507 6.849 -2.109 1.00 0.00 H new ATOM 0 HA LEU A 57 0.675 7.240 -4.892 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.813 7.107 -4.760 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.989 5.794 -3.942 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.283 7.443 -1.839 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.500 8.512 -1.932 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -2.381 9.207 -3.129 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.641 8.062 -3.648 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.297 6.147 -1.259 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.429 5.604 -2.949 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.029 5.116 -1.965 1.00 0.00 H new ATOM 900 N ALA A 58 -0.279 9.828 -3.118 1.00 0.00 N ATOM 901 CA ALA A 58 -0.531 11.262 -3.170 1.00 0.00 C ATOM 902 C ALA A 58 0.635 11.993 -3.825 1.00 0.00 C ATOM 903 O ALA A 58 0.441 12.834 -4.703 1.00 0.00 O ATOM 904 CB ALA A 58 -0.779 11.806 -1.771 1.00 0.00 C ATOM 0 H ALA A 58 -0.231 9.442 -2.175 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.422 11.431 -3.774 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.966 12.878 -1.825 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.645 11.308 -1.335 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.096 11.621 -1.148 1.00 0.00 H new ATOM 910 N ALA A 59 1.848 11.664 -3.392 1.00 0.00 N ATOM 911 CA ALA A 59 3.048 12.284 -3.937 1.00 0.00 C ATOM 912 C ALA A 59 3.297 11.823 -5.368 1.00 0.00 C ATOM 913 O ALA A 59 3.792 12.583 -6.199 1.00 0.00 O ATOM 914 CB ALA A 59 4.250 11.968 -3.061 1.00 0.00 C ATOM 0 H ALA A 59 2.025 10.971 -2.665 1.00 0.00 H new ATOM 0 HA ALA A 59 2.898 13.364 -3.950 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.140 12.438 -3.481 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.078 12.351 -2.055 1.00 0.00 H new ATOM 0 HB3 ALA A 59 4.396 10.889 -3.019 1.00 0.00 H new ATOM 920 N LEU A 60 2.947 10.572 -5.649 1.00 0.00 N ATOM 921 CA LEU A 60 3.129 10.009 -6.982 1.00 0.00 C ATOM 922 C LEU A 60 2.208 10.694 -7.986 1.00 0.00 C ATOM 923 O LEU A 60 2.610 10.989 -9.112 1.00 0.00 O ATOM 924 CB LEU A 60 2.855 8.504 -6.966 1.00 0.00 C ATOM 925 CG LEU A 60 2.956 7.813 -8.327 1.00 0.00 C ATOM 926 CD1 LEU A 60 3.302 6.341 -8.158 1.00 0.00 C ATOM 927 CD2 LEU A 60 1.656 7.973 -9.102 1.00 0.00 C ATOM 0 H LEU A 60 2.536 9.929 -4.972 1.00 0.00 H new ATOM 0 HA LEU A 60 4.162 10.178 -7.285 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.558 8.029 -6.282 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.856 8.336 -6.564 1.00 0.00 H new ATOM 0 HG LEU A 60 3.756 8.287 -8.895 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.369 5.868 -9.138 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.259 6.249 -7.644 1.00 0.00 H new ATOM 0 HD13 LEU A 60 2.526 5.850 -7.571 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.745 7.476 -10.068 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.838 7.525 -8.537 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.453 9.033 -9.257 1.00 0.00 H new ATOM 939 N ARG A 61 0.972 10.948 -7.568 1.00 0.00 N ATOM 940 CA ARG A 61 -0.006 11.601 -8.429 1.00 0.00 C ATOM 941 C ARG A 61 0.392 13.048 -8.697 1.00 0.00 C ATOM 942 O ARG A 61 0.258 13.542 -9.816 1.00 0.00 O ATOM 943 CB ARG A 61 -1.395 11.551 -7.790 1.00 0.00 C ATOM 944 CG ARG A 61 -2.527 11.777 -8.779 1.00 0.00 C ATOM 945 CD ARG A 61 -2.809 13.258 -8.976 1.00 0.00 C ATOM 946 NE ARG A 61 -2.947 13.606 -10.389 1.00 0.00 N ATOM 947 CZ ARG A 61 -3.527 14.722 -10.824 1.00 0.00 C ATOM 948 NH1 ARG A 61 -4.023 15.600 -9.962 1.00 0.00 N ATOM 949 NH2 ARG A 61 -3.610 14.961 -12.126 1.00 0.00 N ATOM 0 H ARG A 61 0.625 10.711 -6.639 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.033 11.067 -9.379 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.531 10.582 -7.310 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.453 12.306 -7.006 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.270 11.324 -9.737 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.428 11.279 -8.422 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.723 13.527 -8.446 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.001 13.843 -8.536 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.577 12.955 -11.082 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.961 15.422 -8.960 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.466 16.454 -10.302 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.229 14.290 -12.793 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.054 15.816 -12.460 1.00 0.00 H new ATOM 963 N HIS A 62 0.884 13.721 -7.663 1.00 0.00 N ATOM 964 CA HIS A 62 1.305 15.112 -7.785 1.00 0.00 C ATOM 965 C HIS A 62 2.659 15.214 -8.481 1.00 0.00 C ATOM 966 O HIS A 62 2.970 16.226 -9.110 1.00 0.00 O ATOM 967 CB HIS A 62 1.378 15.767 -6.404 1.00 0.00 C ATOM 968 CG HIS A 62 1.646 17.239 -6.453 1.00 0.00 C ATOM 969 ND1 HIS A 62 0.682 18.189 -6.192 1.00 0.00 N ATOM 970 CD2 HIS A 62 2.780 17.925 -6.733 1.00 0.00 C ATOM 971 CE1 HIS A 62 1.210 19.395 -6.310 1.00 0.00 C ATOM 972 NE2 HIS A 62 2.482 19.261 -6.637 1.00 0.00 N ATOM 0 H HIS A 62 1.001 13.326 -6.730 1.00 0.00 H new ATOM 0 HA HIS A 62 0.566 15.637 -8.391 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.439 15.594 -5.879 1.00 0.00 H new ATOM 0 HB3 HIS A 62 2.162 15.282 -5.822 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.740 17.500 -6.985 1.00 0.00 H new ATOM 0 HE1 HIS A 62 0.690 20.330 -6.164 1.00 0.00 H new ATOM 0 HE2 HIS A 62 3.137 20.027 -6.793 1.00 0.00 H new ATOM 981 N ALA A 63 3.462 14.160 -8.362 1.00 0.00 N ATOM 982 CA ALA A 63 4.786 14.130 -8.977 1.00 0.00 C ATOM 983 C ALA A 63 4.710 14.404 -10.476 1.00 0.00 C ATOM 984 O ALA A 63 5.649 14.938 -11.066 1.00 0.00 O ATOM 985 CB ALA A 63 5.455 12.789 -8.717 1.00 0.00 C ATOM 0 H ALA A 63 3.219 13.315 -7.845 1.00 0.00 H new ATOM 0 HA ALA A 63 5.385 14.920 -8.524 1.00 0.00 H new ATOM 0 HB1 ALA A 63 6.442 12.779 -9.180 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.557 12.636 -7.643 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.846 11.990 -9.141 1.00 0.00 H new ATOM 991 N VAL A 64 3.589 14.035 -11.088 1.00 0.00 N ATOM 992 CA VAL A 64 3.398 14.242 -12.519 1.00 0.00 C ATOM 993 C VAL A 64 3.527 15.718 -12.883 1.00 0.00 C ATOM 994 O VAL A 64 3.951 16.061 -13.986 1.00 0.00 O ATOM 995 CB VAL A 64 2.023 13.726 -12.985 1.00 0.00 C ATOM 996 CG1 VAL A 64 1.902 12.230 -12.736 1.00 0.00 C ATOM 997 CG2 VAL A 64 0.901 14.481 -12.290 1.00 0.00 C ATOM 0 H VAL A 64 2.801 13.592 -10.616 1.00 0.00 H new ATOM 0 HA VAL A 64 4.179 13.676 -13.027 1.00 0.00 H new ATOM 0 HB VAL A 64 1.936 13.902 -14.057 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.925 11.883 -13.071 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.682 11.705 -13.287 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.013 12.028 -11.671 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.061 14.101 -12.634 1.00 0.00 H new ATOM 0 HG22 VAL A 64 0.982 14.342 -11.212 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.976 15.543 -12.525 1.00 0.00 H new ATOM 1007 N GLU A 65 3.157 16.587 -11.948 1.00 0.00 N ATOM 1008 CA GLU A 65 3.231 18.027 -12.169 1.00 0.00 C ATOM 1009 C GLU A 65 4.678 18.508 -12.152 1.00 0.00 C ATOM 1010 O GLU A 65 5.021 19.497 -12.801 1.00 0.00 O ATOM 1011 CB GLU A 65 2.421 18.770 -11.105 1.00 0.00 C ATOM 1012 CG GLU A 65 0.924 18.770 -11.370 1.00 0.00 C ATOM 1013 CD GLU A 65 0.338 20.168 -11.410 1.00 0.00 C ATOM 1014 OE1 GLU A 65 0.894 21.065 -10.742 1.00 0.00 O ATOM 1015 OE2 GLU A 65 -0.678 20.366 -12.109 1.00 0.00 O ATOM 0 H GLU A 65 2.803 16.319 -11.030 1.00 0.00 H new ATOM 0 HA GLU A 65 2.809 18.240 -13.151 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.609 18.314 -10.133 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.771 19.801 -11.047 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.727 18.270 -12.318 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.422 18.192 -10.595 1.00 0.00 H new ATOM 1022 N GLN A 66 5.524 17.806 -11.405 1.00 0.00 N ATOM 1023 CA GLN A 66 6.934 18.166 -11.305 1.00 0.00 C ATOM 1024 C GLN A 66 7.782 17.352 -12.281 1.00 0.00 C ATOM 1025 O GLN A 66 8.991 17.212 -12.097 1.00 0.00 O ATOM 1026 CB GLN A 66 7.435 17.953 -9.875 1.00 0.00 C ATOM 1027 CG GLN A 66 8.276 19.104 -9.348 1.00 0.00 C ATOM 1028 CD GLN A 66 8.777 18.863 -7.937 1.00 0.00 C ATOM 1029 OE1 GLN A 66 9.651 18.027 -7.711 1.00 0.00 O ATOM 1030 NE2 GLN A 66 8.223 19.597 -6.979 1.00 0.00 N ATOM 0 H GLN A 66 5.258 16.985 -10.861 1.00 0.00 H new ATOM 0 HA GLN A 66 7.031 19.220 -11.566 1.00 0.00 H new ATOM 0 HB2 GLN A 66 6.579 17.808 -9.216 1.00 0.00 H new ATOM 0 HB3 GLN A 66 8.024 17.037 -9.838 1.00 0.00 H new ATOM 0 HG2 GLN A 66 9.128 19.260 -10.010 1.00 0.00 H new ATOM 0 HG3 GLN A 66 7.685 20.020 -9.368 1.00 0.00 H new ATOM 0 HE21 GLN A 66 7.501 20.279 -7.212 1.00 0.00 H new ATOM 0 HE22 GLN A 66 8.519 19.479 -6.010 1.00 0.00 H new ATOM 1039 N GLN A 67 7.143 16.817 -13.319 1.00 0.00 N ATOM 1040 CA GLN A 67 7.844 16.020 -14.321 1.00 0.00 C ATOM 1041 C GLN A 67 8.616 14.876 -13.670 1.00 0.00 C ATOM 1042 O GLN A 67 9.722 14.540 -14.093 1.00 0.00 O ATOM 1043 CB GLN A 67 8.800 16.903 -15.126 1.00 0.00 C ATOM 1044 CG GLN A 67 8.093 17.887 -16.044 1.00 0.00 C ATOM 1045 CD GLN A 67 7.157 17.203 -17.021 1.00 0.00 C ATOM 1046 OE1 GLN A 67 7.516 16.952 -18.171 1.00 0.00 O ATOM 1047 NE2 GLN A 67 5.947 16.898 -16.566 1.00 0.00 N ATOM 0 H GLN A 67 6.142 16.921 -13.487 1.00 0.00 H new ATOM 0 HA GLN A 67 7.100 15.593 -14.993 1.00 0.00 H new ATOM 0 HB2 GLN A 67 9.438 17.456 -14.437 1.00 0.00 H new ATOM 0 HB3 GLN A 67 9.453 16.267 -15.723 1.00 0.00 H new ATOM 0 HG2 GLN A 67 7.527 18.598 -15.442 1.00 0.00 H new ATOM 0 HG3 GLN A 67 8.836 18.459 -16.599 1.00 0.00 H new ATOM 0 HE21 GLN A 67 5.691 17.125 -15.605 1.00 0.00 H new ATOM 0 HE22 GLN A 67 5.273 16.437 -17.178 1.00 0.00 H new ATOM 1056 N GLN A 68 8.025 14.282 -12.639 1.00 0.00 N ATOM 1057 CA GLN A 68 8.657 13.177 -11.929 1.00 0.00 C ATOM 1058 C GLN A 68 8.131 11.835 -12.428 1.00 0.00 C ATOM 1059 O GLN A 68 7.950 10.899 -11.650 1.00 0.00 O ATOM 1060 CB GLN A 68 8.416 13.306 -10.423 1.00 0.00 C ATOM 1061 CG GLN A 68 9.468 14.136 -9.708 1.00 0.00 C ATOM 1062 CD GLN A 68 9.472 13.908 -8.209 1.00 0.00 C ATOM 1063 OE1 GLN A 68 10.241 13.096 -7.695 1.00 0.00 O ATOM 1064 NE2 GLN A 68 8.609 14.626 -7.500 1.00 0.00 N ATOM 0 H GLN A 68 7.109 14.547 -12.277 1.00 0.00 H new ATOM 0 HA GLN A 68 9.729 13.220 -12.123 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.437 13.755 -10.257 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.389 12.310 -9.981 1.00 0.00 H new ATOM 0 HG2 GLN A 68 10.452 13.894 -10.111 1.00 0.00 H new ATOM 0 HG3 GLN A 68 9.291 15.192 -9.911 1.00 0.00 H new ATOM 0 HE21 GLN A 68 7.990 15.288 -7.968 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.565 14.516 -6.487 1.00 0.00 H new ATOM 1073 N LEU A 69 7.887 11.748 -13.733 1.00 0.00 N ATOM 1074 CA LEU A 69 7.382 10.520 -14.336 1.00 0.00 C ATOM 1075 C LEU A 69 8.295 9.331 -14.026 1.00 0.00 C ATOM 1076 O LEU A 69 7.817 8.253 -13.677 1.00 0.00 O ATOM 1077 CB LEU A 69 7.234 10.687 -15.851 1.00 0.00 C ATOM 1078 CG LEU A 69 6.441 11.919 -16.293 1.00 0.00 C ATOM 1079 CD1 LEU A 69 7.027 12.503 -17.569 1.00 0.00 C ATOM 1080 CD2 LEU A 69 4.975 11.564 -16.490 1.00 0.00 C ATOM 0 H LEU A 69 8.031 12.513 -14.392 1.00 0.00 H new ATOM 0 HA LEU A 69 6.402 10.318 -13.904 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.228 10.736 -16.295 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.749 9.798 -16.253 1.00 0.00 H new ATOM 0 HG LEU A 69 6.510 12.673 -15.509 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.450 13.378 -17.867 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.063 12.794 -17.394 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.989 11.756 -18.362 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.425 12.451 -16.804 1.00 0.00 H new ATOM 0 HD22 LEU A 69 4.887 10.793 -17.255 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.561 11.194 -15.552 1.00 0.00 H new ATOM 1092 N PRO A 70 9.626 9.507 -14.148 1.00 0.00 N ATOM 1093 CA PRO A 70 10.588 8.433 -13.874 1.00 0.00 C ATOM 1094 C PRO A 70 10.470 7.902 -12.449 1.00 0.00 C ATOM 1095 O PRO A 70 10.747 6.732 -12.186 1.00 0.00 O ATOM 1096 CB PRO A 70 11.953 9.099 -14.082 1.00 0.00 C ATOM 1097 CG PRO A 70 11.676 10.289 -14.934 1.00 0.00 C ATOM 1098 CD PRO A 70 10.299 10.753 -14.558 1.00 0.00 C ATOM 0 HA PRO A 70 10.422 7.570 -14.519 1.00 0.00 H new ATOM 0 HB2 PRO A 70 12.399 9.390 -13.131 1.00 0.00 H new ATOM 0 HB3 PRO A 70 12.653 8.420 -14.568 1.00 0.00 H new ATOM 0 HG2 PRO A 70 12.413 11.073 -14.761 1.00 0.00 H new ATOM 0 HG3 PRO A 70 11.726 10.032 -15.992 1.00 0.00 H new ATOM 0 HD2 PRO A 70 10.326 11.482 -13.748 1.00 0.00 H new ATOM 0 HD3 PRO A 70 9.791 11.228 -15.397 1.00 0.00 H new ATOM 1106 N GLN A 71 10.057 8.771 -11.531 1.00 0.00 N ATOM 1107 CA GLN A 71 9.903 8.391 -10.132 1.00 0.00 C ATOM 1108 C GLN A 71 8.622 7.590 -9.921 1.00 0.00 C ATOM 1109 O GLN A 71 8.547 6.744 -9.030 1.00 0.00 O ATOM 1110 CB GLN A 71 9.897 9.636 -9.241 1.00 0.00 C ATOM 1111 CG GLN A 71 10.835 9.536 -8.050 1.00 0.00 C ATOM 1112 CD GLN A 71 12.144 10.267 -8.277 1.00 0.00 C ATOM 1113 OE1 GLN A 71 12.530 11.132 -7.491 1.00 0.00 O ATOM 1114 NE2 GLN A 71 12.834 9.923 -9.359 1.00 0.00 N ATOM 0 H GLN A 71 9.823 9.743 -11.732 1.00 0.00 H new ATOM 0 HA GLN A 71 10.749 7.762 -9.857 1.00 0.00 H new ATOM 0 HB2 GLN A 71 10.175 10.503 -9.840 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.883 9.810 -8.881 1.00 0.00 H new ATOM 0 HG2 GLN A 71 10.342 9.946 -7.168 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.041 8.486 -7.841 1.00 0.00 H new ATOM 0 HE21 GLN A 71 12.476 9.200 -9.984 1.00 0.00 H new ATOM 0 HE22 GLN A 71 13.721 10.382 -9.565 1.00 0.00 H new ATOM 1123 N VAL A 72 7.615 7.863 -10.745 1.00 0.00 N ATOM 1124 CA VAL A 72 6.337 7.168 -10.648 1.00 0.00 C ATOM 1125 C VAL A 72 6.518 5.660 -10.796 1.00 0.00 C ATOM 1126 O VAL A 72 5.758 4.875 -10.229 1.00 0.00 O ATOM 1127 CB VAL A 72 5.344 7.663 -11.717 1.00 0.00 C ATOM 1128 CG1 VAL A 72 3.971 7.043 -11.505 1.00 0.00 C ATOM 1129 CG2 VAL A 72 5.259 9.182 -11.703 1.00 0.00 C ATOM 0 H VAL A 72 7.660 8.561 -11.487 1.00 0.00 H new ATOM 0 HA VAL A 72 5.933 7.387 -9.660 1.00 0.00 H new ATOM 0 HB VAL A 72 5.709 7.350 -12.695 1.00 0.00 H new ATOM 0 HG11 VAL A 72 3.286 7.406 -12.271 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.048 5.958 -11.572 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.595 7.320 -10.520 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.553 9.514 -12.464 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.921 9.518 -10.723 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.242 9.603 -11.912 1.00 0.00 H new ATOM 1139 N ALA A 73 7.531 5.263 -11.559 1.00 0.00 N ATOM 1140 CA ALA A 73 7.812 3.850 -11.779 1.00 0.00 C ATOM 1141 C ALA A 73 8.144 3.147 -10.467 1.00 0.00 C ATOM 1142 O ALA A 73 7.638 2.061 -10.187 1.00 0.00 O ATOM 1143 CB ALA A 73 8.954 3.688 -12.770 1.00 0.00 C ATOM 0 H ALA A 73 8.170 5.900 -12.035 1.00 0.00 H new ATOM 0 HA ALA A 73 6.917 3.386 -12.194 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.153 2.628 -12.925 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.680 4.148 -13.719 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.848 4.172 -12.377 1.00 0.00 H new ATOM 1149 N TRP A 74 8.998 3.776 -9.666 1.00 0.00 N ATOM 1150 CA TRP A 74 9.398 3.212 -8.382 1.00 0.00 C ATOM 1151 C TRP A 74 8.238 3.234 -7.392 1.00 0.00 C ATOM 1152 O TRP A 74 7.917 2.219 -6.774 1.00 0.00 O ATOM 1153 CB TRP A 74 10.589 3.986 -7.811 1.00 0.00 C ATOM 1154 CG TRP A 74 11.686 3.099 -7.304 1.00 0.00 C ATOM 1155 CD1 TRP A 74 12.428 2.215 -8.033 1.00 0.00 C ATOM 1156 CD2 TRP A 74 12.163 3.010 -5.957 1.00 0.00 C ATOM 1157 NE1 TRP A 74 13.338 1.582 -7.222 1.00 0.00 N ATOM 1158 CE2 TRP A 74 13.195 2.053 -5.943 1.00 0.00 C ATOM 1159 CE3 TRP A 74 11.819 3.647 -4.761 1.00 0.00 C ATOM 1160 CZ2 TRP A 74 13.885 1.718 -4.780 1.00 0.00 C ATOM 1161 CZ3 TRP A 74 12.505 3.314 -3.608 1.00 0.00 C ATOM 1162 CH2 TRP A 74 13.527 2.358 -3.625 1.00 0.00 C ATOM 0 H TRP A 74 9.426 4.676 -9.883 1.00 0.00 H new ATOM 0 HA TRP A 74 9.692 2.175 -8.544 1.00 0.00 H new ATOM 0 HB2 TRP A 74 10.990 4.643 -8.583 1.00 0.00 H new ATOM 0 HB3 TRP A 74 10.242 4.624 -6.998 1.00 0.00 H new ATOM 0 HD1 TRP A 74 12.316 2.039 -9.093 1.00 0.00 H new ATOM 0 HE1 TRP A 74 14.011 0.876 -7.523 1.00 0.00 H new ATOM 0 HE3 TRP A 74 11.032 4.386 -4.738 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 14.674 0.980 -4.790 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 12.248 3.800 -2.678 1.00 0.00 H new ATOM 0 HH2 TRP A 74 14.044 2.120 -2.707 1.00 0.00 H new ATOM 1173 N LEU A 75 7.611 4.398 -7.249 1.00 0.00 N ATOM 1174 CA LEU A 75 6.485 4.551 -6.335 1.00 0.00 C ATOM 1175 C LEU A 75 5.345 3.612 -6.716 1.00 0.00 C ATOM 1176 O LEU A 75 4.699 3.019 -5.851 1.00 0.00 O ATOM 1177 CB LEU A 75 5.991 5.999 -6.338 1.00 0.00 C ATOM 1178 CG LEU A 75 6.956 7.013 -5.720 1.00 0.00 C ATOM 1179 CD1 LEU A 75 6.903 8.332 -6.476 1.00 0.00 C ATOM 1180 CD2 LEU A 75 6.630 7.228 -4.249 1.00 0.00 C ATOM 0 H LEU A 75 7.864 5.248 -7.754 1.00 0.00 H new ATOM 0 HA LEU A 75 6.825 4.293 -5.332 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.787 6.295 -7.367 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.045 6.045 -5.799 1.00 0.00 H new ATOM 0 HG LEU A 75 7.968 6.615 -5.796 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.596 9.040 -6.021 1.00 0.00 H new ATOM 0 HD12 LEU A 75 7.183 8.167 -7.516 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.891 8.736 -6.433 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.325 7.952 -3.824 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.611 7.604 -4.153 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.719 6.282 -3.715 1.00 0.00 H new ATOM 1192 N ALA A 76 5.103 3.480 -8.016 1.00 0.00 N ATOM 1193 CA ALA A 76 4.042 2.612 -8.512 1.00 0.00 C ATOM 1194 C ALA A 76 4.271 1.168 -8.081 1.00 0.00 C ATOM 1195 O ALA A 76 3.391 0.539 -7.493 1.00 0.00 O ATOM 1196 CB ALA A 76 3.951 2.705 -10.028 1.00 0.00 C ATOM 0 H ALA A 76 5.628 3.963 -8.745 1.00 0.00 H new ATOM 0 HA ALA A 76 3.098 2.947 -8.081 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.155 2.052 -10.385 1.00 0.00 H new ATOM 0 HB2 ALA A 76 3.734 3.733 -10.317 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.899 2.396 -10.469 1.00 0.00 H new ATOM 1202 N GLU A 77 5.458 0.649 -8.376 1.00 0.00 N ATOM 1203 CA GLU A 77 5.803 -0.721 -8.017 1.00 0.00 C ATOM 1204 C GLU A 77 5.748 -0.914 -6.504 1.00 0.00 C ATOM 1205 O GLU A 77 5.360 -1.976 -6.018 1.00 0.00 O ATOM 1206 CB GLU A 77 7.198 -1.072 -8.541 1.00 0.00 C ATOM 1207 CG GLU A 77 7.231 -2.339 -9.379 1.00 0.00 C ATOM 1208 CD GLU A 77 8.428 -2.393 -10.308 1.00 0.00 C ATOM 1209 OE1 GLU A 77 9.492 -2.885 -9.877 1.00 0.00 O ATOM 1210 OE2 GLU A 77 8.301 -1.943 -11.466 1.00 0.00 O ATOM 0 H GLU A 77 6.197 1.156 -8.863 1.00 0.00 H new ATOM 0 HA GLU A 77 5.074 -1.388 -8.477 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.572 -0.241 -9.139 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.876 -1.188 -7.696 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.249 -3.206 -8.719 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.316 -2.405 -9.967 1.00 0.00 H new ATOM 1217 N HIS A 78 6.137 0.121 -5.767 1.00 0.00 N ATOM 1218 CA HIS A 78 6.130 0.068 -4.310 1.00 0.00 C ATOM 1219 C HIS A 78 4.703 0.014 -3.776 1.00 0.00 C ATOM 1220 O HIS A 78 4.400 -0.750 -2.859 1.00 0.00 O ATOM 1221 CB HIS A 78 6.859 1.282 -3.731 1.00 0.00 C ATOM 1222 CG HIS A 78 7.456 1.034 -2.380 1.00 0.00 C ATOM 1223 ND1 HIS A 78 8.307 1.924 -1.759 1.00 0.00 N ATOM 1224 CD2 HIS A 78 7.321 -0.010 -1.529 1.00 0.00 C ATOM 1225 CE1 HIS A 78 8.669 1.438 -0.585 1.00 0.00 C ATOM 1226 NE2 HIS A 78 8.085 0.266 -0.422 1.00 0.00 N ATOM 0 H HIS A 78 6.461 1.007 -6.155 1.00 0.00 H new ATOM 0 HA HIS A 78 6.649 -0.839 -4.001 1.00 0.00 H new ATOM 0 HB2 HIS A 78 7.649 1.583 -4.419 1.00 0.00 H new ATOM 0 HB3 HIS A 78 6.161 2.116 -3.663 1.00 0.00 H new ATOM 0 HD1 HIS A 78 8.610 2.818 -2.146 1.00 0.00 H new ATOM 0 HD2 HIS A 78 6.724 -0.895 -1.691 1.00 0.00 H new ATOM 0 HE1 HIS A 78 9.330 1.918 0.121 1.00 0.00 H new ATOM 1235 N LEU A 79 3.829 0.831 -4.356 1.00 0.00 N ATOM 1236 CA LEU A 79 2.432 0.876 -3.939 1.00 0.00 C ATOM 1237 C LEU A 79 1.755 -0.472 -4.164 1.00 0.00 C ATOM 1238 O LEU A 79 1.067 -0.987 -3.282 1.00 0.00 O ATOM 1239 CB LEU A 79 1.685 1.971 -4.704 1.00 0.00 C ATOM 1240 CG LEU A 79 1.653 3.335 -4.014 1.00 0.00 C ATOM 1241 CD1 LEU A 79 1.238 4.419 -4.996 1.00 0.00 C ATOM 1242 CD2 LEU A 79 0.709 3.305 -2.821 1.00 0.00 C ATOM 0 H LEU A 79 4.063 1.470 -5.115 1.00 0.00 H new ATOM 0 HA LEU A 79 2.403 1.103 -2.873 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.147 2.088 -5.685 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.660 1.641 -4.871 1.00 0.00 H new ATOM 0 HG LEU A 79 2.656 3.564 -3.654 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.221 5.383 -4.488 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.951 4.456 -5.820 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.245 4.196 -5.385 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.698 4.284 -2.341 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.297 3.055 -3.159 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.049 2.555 -2.107 1.00 0.00 H new ATOM 1254 N ALA A 80 1.956 -1.039 -5.349 1.00 0.00 N ATOM 1255 CA ALA A 80 1.366 -2.327 -5.690 1.00 0.00 C ATOM 1256 C ALA A 80 1.821 -3.411 -4.718 1.00 0.00 C ATOM 1257 O ALA A 80 1.012 -4.201 -4.231 1.00 0.00 O ATOM 1258 CB ALA A 80 1.724 -2.711 -7.117 1.00 0.00 C ATOM 0 H ALA A 80 2.523 -0.626 -6.089 1.00 0.00 H new ATOM 0 HA ALA A 80 0.283 -2.236 -5.612 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.276 -3.675 -7.358 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.345 -1.954 -7.803 1.00 0.00 H new ATOM 0 HB3 ALA A 80 2.807 -2.780 -7.214 1.00 0.00 H new ATOM 1264 N ALA A 81 3.120 -3.442 -4.440 1.00 0.00 N ATOM 1265 CA ALA A 81 3.683 -4.427 -3.525 1.00 0.00 C ATOM 1266 C ALA A 81 3.195 -4.192 -2.100 1.00 0.00 C ATOM 1267 O ALA A 81 3.024 -5.135 -1.328 1.00 0.00 O ATOM 1268 CB ALA A 81 5.202 -4.388 -3.578 1.00 0.00 C ATOM 0 H ALA A 81 3.803 -2.796 -4.836 1.00 0.00 H new ATOM 0 HA ALA A 81 3.345 -5.415 -3.839 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.609 -5.129 -2.890 1.00 0.00 H new ATOM 0 HB2 ALA A 81 5.537 -4.611 -4.591 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.551 -3.396 -3.291 1.00 0.00 H new ATOM 1274 N GLN A 82 2.970 -2.927 -1.759 1.00 0.00 N ATOM 1275 CA GLN A 82 2.500 -2.568 -0.426 1.00 0.00 C ATOM 1276 C GLN A 82 1.093 -3.107 -0.185 1.00 0.00 C ATOM 1277 O GLN A 82 0.829 -3.749 0.832 1.00 0.00 O ATOM 1278 CB GLN A 82 2.517 -1.047 -0.249 1.00 0.00 C ATOM 1279 CG GLN A 82 3.230 -0.590 1.014 1.00 0.00 C ATOM 1280 CD GLN A 82 2.268 -0.150 2.100 1.00 0.00 C ATOM 1281 OE1 GLN A 82 1.900 -0.934 2.975 1.00 0.00 O ATOM 1282 NE2 GLN A 82 1.855 1.112 2.051 1.00 0.00 N ATOM 0 H GLN A 82 3.105 -2.134 -2.387 1.00 0.00 H new ATOM 0 HA GLN A 82 3.172 -3.018 0.305 1.00 0.00 H new ATOM 0 HB2 GLN A 82 3.002 -0.594 -1.114 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.491 -0.680 -0.230 1.00 0.00 H new ATOM 0 HG2 GLN A 82 3.850 -1.403 1.391 1.00 0.00 H new ATOM 0 HG3 GLN A 82 3.899 0.235 0.771 1.00 0.00 H new ATOM 0 HE21 GLN A 82 2.185 1.728 1.308 1.00 0.00 H new ATOM 0 HE22 GLN A 82 1.208 1.465 2.756 1.00 0.00 H new ATOM 1291 N LEU A 83 0.194 -2.843 -1.128 1.00 0.00 N ATOM 1292 CA LEU A 83 -1.186 -3.303 -1.019 1.00 0.00 C ATOM 1293 C LEU A 83 -1.256 -4.825 -1.070 1.00 0.00 C ATOM 1294 O LEU A 83 -1.930 -5.454 -0.254 1.00 0.00 O ATOM 1295 CB LEU A 83 -2.036 -2.704 -2.141 1.00 0.00 C ATOM 1296 CG LEU A 83 -2.389 -1.226 -1.968 1.00 0.00 C ATOM 1297 CD1 LEU A 83 -2.568 -0.558 -3.322 1.00 0.00 C ATOM 1298 CD2 LEU A 83 -3.648 -1.075 -1.126 1.00 0.00 C ATOM 0 H LEU A 83 0.396 -2.313 -1.976 1.00 0.00 H new ATOM 0 HA LEU A 83 -1.579 -2.970 -0.058 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.504 -2.827 -3.084 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -2.961 -3.276 -2.220 1.00 0.00 H new ATOM 0 HG LEU A 83 -1.567 -0.733 -1.449 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.819 0.493 -3.179 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.642 -0.636 -3.891 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -3.372 -1.052 -3.868 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.885 -0.017 -1.013 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -4.478 -1.582 -1.618 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.484 -1.517 -0.143 1.00 0.00 H new ATOM 1310 N GLU A 84 -0.554 -5.413 -2.035 1.00 0.00 N ATOM 1311 CA GLU A 84 -0.536 -6.862 -2.192 1.00 0.00 C ATOM 1312 C GLU A 84 -0.006 -7.538 -0.931 1.00 0.00 C ATOM 1313 O GLU A 84 -0.482 -8.603 -0.538 1.00 0.00 O ATOM 1314 CB GLU A 84 0.320 -7.255 -3.398 1.00 0.00 C ATOM 1315 CG GLU A 84 -0.342 -8.279 -4.306 1.00 0.00 C ATOM 1316 CD GLU A 84 -0.122 -9.703 -3.836 1.00 0.00 C ATOM 1317 OE1 GLU A 84 -0.246 -9.953 -2.618 1.00 0.00 O ATOM 1318 OE2 GLU A 84 0.175 -10.570 -4.685 1.00 0.00 O ATOM 0 H GLU A 84 0.009 -4.908 -2.719 1.00 0.00 H new ATOM 0 HA GLU A 84 -1.559 -7.199 -2.359 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.548 -6.361 -3.978 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.270 -7.656 -3.044 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.412 -8.078 -4.355 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.050 -8.169 -5.317 1.00 0.00 H new ATOM 1325 N ALA A 85 0.981 -6.910 -0.300 1.00 0.00 N ATOM 1326 CA ALA A 85 1.574 -7.450 0.917 1.00 0.00 C ATOM 1327 C ALA A 85 0.562 -7.458 2.058 1.00 0.00 C ATOM 1328 O ALA A 85 0.462 -8.432 2.805 1.00 0.00 O ATOM 1329 CB ALA A 85 2.805 -6.646 1.307 1.00 0.00 C ATOM 0 H ALA A 85 1.386 -6.027 -0.611 1.00 0.00 H new ATOM 0 HA ALA A 85 1.875 -8.479 0.722 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.237 -7.061 2.218 1.00 0.00 H new ATOM 0 HB2 ALA A 85 3.540 -6.692 0.503 1.00 0.00 H new ATOM 0 HB3 ALA A 85 2.522 -5.608 1.480 1.00 0.00 H new ATOM 1335 N ILE A 86 -0.187 -6.368 2.184 1.00 0.00 N ATOM 1336 CA ILE A 86 -1.193 -6.250 3.232 1.00 0.00 C ATOM 1337 C ILE A 86 -2.355 -7.205 2.982 1.00 0.00 C ATOM 1338 O ILE A 86 -2.775 -7.937 3.878 1.00 0.00 O ATOM 1339 CB ILE A 86 -1.736 -4.810 3.331 1.00 0.00 C ATOM 1340 CG1 ILE A 86 -0.583 -3.811 3.439 1.00 0.00 C ATOM 1341 CG2 ILE A 86 -2.672 -4.677 4.524 1.00 0.00 C ATOM 1342 CD1 ILE A 86 -0.883 -2.473 2.799 1.00 0.00 C ATOM 0 H ILE A 86 -0.116 -5.554 1.573 1.00 0.00 H new ATOM 0 HA ILE A 86 -0.706 -6.510 4.172 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.299 -4.588 2.425 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.344 -3.656 4.491 1.00 0.00 H new ATOM 0 HG13 ILE A 86 0.303 -4.239 2.970 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -3.047 -3.655 4.580 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.510 -5.365 4.408 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.131 -4.916 5.440 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.022 -1.814 2.913 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.093 -2.616 1.739 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.750 -2.024 3.284 1.00 0.00 H new ATOM 1354 N ALA A 87 -2.871 -7.192 1.757 1.00 0.00 N ATOM 1355 CA ALA A 87 -3.984 -8.058 1.387 1.00 0.00 C ATOM 1356 C ALA A 87 -3.613 -9.527 1.555 1.00 0.00 C ATOM 1357 O ALA A 87 -4.453 -10.353 1.911 1.00 0.00 O ATOM 1358 CB ALA A 87 -4.415 -7.781 -0.045 1.00 0.00 C ATOM 0 H ALA A 87 -2.536 -6.591 1.004 1.00 0.00 H new ATOM 0 HA ALA A 87 -4.819 -7.842 2.054 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.247 -8.435 -0.308 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.728 -6.741 -0.136 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.579 -7.968 -0.719 1.00 0.00 H new ATOM 1364 N ARG A 88 -2.348 -9.845 1.298 1.00 0.00 N ATOM 1365 CA ARG A 88 -1.864 -11.214 1.423 1.00 0.00 C ATOM 1366 C ARG A 88 -1.879 -11.664 2.880 1.00 0.00 C ATOM 1367 O ARG A 88 -2.364 -12.749 3.200 1.00 0.00 O ATOM 1368 CB ARG A 88 -0.448 -11.330 0.852 1.00 0.00 C ATOM 1369 CG ARG A 88 -0.403 -11.922 -0.547 1.00 0.00 C ATOM 1370 CD ARG A 88 -0.220 -13.431 -0.507 1.00 0.00 C ATOM 1371 NE ARG A 88 -1.466 -14.125 -0.190 1.00 0.00 N ATOM 1372 CZ ARG A 88 -1.525 -15.377 0.256 1.00 0.00 C ATOM 1373 NH1 ARG A 88 -0.412 -16.077 0.440 1.00 0.00 N ATOM 1374 NH2 ARG A 88 -2.700 -15.932 0.521 1.00 0.00 N ATOM 0 H ARG A 88 -1.640 -9.173 1.002 1.00 0.00 H new ATOM 0 HA ARG A 88 -2.530 -11.864 0.855 1.00 0.00 H new ATOM 0 HB2 ARG A 88 0.010 -10.341 0.834 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.154 -11.948 1.518 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -1.325 -11.680 -1.076 1.00 0.00 H new ATOM 0 HG3 ARG A 88 0.414 -11.470 -1.109 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.152 -13.777 -1.471 1.00 0.00 H new ATOM 0 HD3 ARG A 88 0.536 -13.685 0.236 1.00 0.00 H new ATOM 0 HE ARG A 88 -2.343 -13.620 -0.318 1.00 0.00 H new ATOM 0 HH11 ARG A 88 0.495 -15.655 0.239 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -0.464 -17.036 0.782 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -3.559 -15.399 0.383 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -2.745 -16.892 0.863 1.00 0.00 H new ATOM 1388 N GLU A 89 -1.345 -10.822 3.759 1.00 0.00 N ATOM 1389 CA GLU A 89 -1.298 -11.132 5.183 1.00 0.00 C ATOM 1390 C GLU A 89 -2.704 -11.217 5.767 1.00 0.00 C ATOM 1391 O GLU A 89 -3.045 -12.180 6.453 1.00 0.00 O ATOM 1392 CB GLU A 89 -0.485 -10.073 5.930 1.00 0.00 C ATOM 1393 CG GLU A 89 0.980 -10.034 5.528 1.00 0.00 C ATOM 1394 CD GLU A 89 1.899 -9.754 6.700 1.00 0.00 C ATOM 1395 OE1 GLU A 89 1.500 -8.979 7.595 1.00 0.00 O ATOM 1396 OE2 GLU A 89 3.018 -10.309 6.724 1.00 0.00 O ATOM 0 H GLU A 89 -0.939 -9.920 3.510 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.815 -12.102 5.303 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -0.928 -9.094 5.751 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -0.554 -10.263 7.001 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.254 -10.987 5.076 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.124 -9.267 4.767 1.00 0.00 H new ATOM 1403 N ALA A 90 -3.516 -10.202 5.490 1.00 0.00 N ATOM 1404 CA ALA A 90 -4.886 -10.161 5.987 1.00 0.00 C ATOM 1405 C ALA A 90 -5.681 -11.369 5.505 1.00 0.00 C ATOM 1406 O ALA A 90 -6.322 -12.060 6.297 1.00 0.00 O ATOM 1407 CB ALA A 90 -5.567 -8.872 5.553 1.00 0.00 C ATOM 0 H ALA A 90 -3.249 -9.397 4.924 1.00 0.00 H new ATOM 0 HA ALA A 90 -4.852 -10.192 7.076 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.589 -8.855 5.931 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -5.019 -8.019 5.952 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -5.582 -8.817 4.464 1.00 0.00 H new