USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 654 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 Single : A 20 THR OG1 : rot 180:sc= 0.0538 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN :FLIP amide:sc=-0.00132 F(o=-4.8!,f=-0.0013) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.111 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 83:sc= -0.622 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 145:sc= 0.0818 (180deg=0) USER MOD Single : A 71 CYS SG : rot 180:sc= -1.33 USER MOD Single : A 78 ASN : amide:sc= -2.61! C(o=-2.6!,f=-5.9!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl -140:sc= -0.113 (180deg=-1.56!) USER MOD Single : A 85 SER OG : rot 134:sc= 0.85 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.174 USER MOD Single : A 92 GLN : amide:sc= -2.7! C(o=-2.7!,f=-5.5!) USER MOD Single : A 97 LYS NZ :NH3+ 154:sc= -0.139 (180deg=-0.783) USER MOD ----------------------------------------------------------------- ATOM 212 N GLU A 18 -10.265 -1.313 6.728 1.00 0.00 N ATOM 213 CA GLU A 18 -11.051 -2.173 5.859 1.00 0.00 C ATOM 214 C GLU A 18 -11.290 -1.489 4.511 1.00 0.00 C ATOM 215 O GLU A 18 -11.773 -0.359 4.462 1.00 0.00 O ATOM 216 CB GLU A 18 -12.375 -2.558 6.521 1.00 0.00 C ATOM 217 CG GLU A 18 -13.388 -3.041 5.481 1.00 0.00 C ATOM 218 CD GLU A 18 -14.264 -4.160 6.047 1.00 0.00 C ATOM 219 OE1 GLU A 18 -13.677 -5.135 6.563 1.00 0.00 O ATOM 220 OE2 GLU A 18 -15.502 -4.015 5.951 1.00 0.00 O ATOM 0 HA GLU A 18 -10.490 -3.091 5.684 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -12.203 -3.343 7.258 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.780 -1.700 7.058 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -14.016 -2.208 5.165 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -12.863 -3.398 4.595 1.00 0.00 H new ATOM 227 N LEU A 19 -10.941 -2.204 3.451 1.00 0.00 N ATOM 228 CA LEU A 19 -11.112 -1.680 2.107 1.00 0.00 C ATOM 229 C LEU A 19 -12.604 -1.491 1.824 1.00 0.00 C ATOM 230 O LEU A 19 -13.436 -1.679 2.710 1.00 0.00 O ATOM 231 CB LEU A 19 -10.402 -2.575 1.089 1.00 0.00 C ATOM 232 CG LEU A 19 -8.873 -2.583 1.154 1.00 0.00 C ATOM 233 CD1 LEU A 19 -8.306 -1.189 0.878 1.00 0.00 C ATOM 234 CD2 LEU A 19 -8.385 -3.147 2.490 1.00 0.00 C ATOM 0 H LEU A 19 -10.541 -3.141 3.496 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.643 -0.700 2.018 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.757 -3.597 1.223 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.702 -2.262 0.089 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.500 -3.243 0.371 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.218 -1.222 0.930 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.612 -0.862 -0.116 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.684 -0.489 1.623 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.295 -3.142 2.511 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -8.766 -2.532 3.305 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.745 -4.169 2.607 1.00 0.00 H new ATOM 246 N THR A 20 -12.896 -1.121 0.586 1.00 0.00 N ATOM 247 CA THR A 20 -14.273 -0.904 0.175 1.00 0.00 C ATOM 248 C THR A 20 -14.464 -1.314 -1.287 1.00 0.00 C ATOM 249 O THR A 20 -13.491 -1.495 -2.017 1.00 0.00 O ATOM 250 CB THR A 20 -14.622 0.561 0.445 1.00 0.00 C ATOM 251 OG1 THR A 20 -14.006 1.268 -0.627 1.00 0.00 O ATOM 252 CG2 THR A 20 -13.931 1.106 1.697 1.00 0.00 C ATOM 0 H THR A 20 -12.203 -0.966 -0.146 1.00 0.00 H new ATOM 0 HA THR A 20 -14.959 -1.528 0.748 1.00 0.00 H new ATOM 0 HB THR A 20 -15.702 0.663 0.553 1.00 0.00 H new ATOM 0 HG1 THR A 20 -14.184 2.227 -0.531 1.00 0.00 H new ATOM 0 HG21 THR A 20 -14.212 2.149 1.843 1.00 0.00 H new ATOM 0 HG22 THR A 20 -14.238 0.522 2.565 1.00 0.00 H new ATOM 0 HG23 THR A 20 -12.850 1.035 1.576 1.00 0.00 H new ATOM 260 N GLU A 21 -15.726 -1.450 -1.670 1.00 0.00 N ATOM 261 CA GLU A 21 -16.057 -1.835 -3.031 1.00 0.00 C ATOM 262 C GLU A 21 -15.197 -1.056 -4.028 1.00 0.00 C ATOM 263 O GLU A 21 -14.824 -1.582 -5.076 1.00 0.00 O ATOM 264 CB GLU A 21 -17.546 -1.627 -3.312 1.00 0.00 C ATOM 265 CG GLU A 21 -18.085 -2.714 -4.245 1.00 0.00 C ATOM 266 CD GLU A 21 -19.116 -2.139 -5.219 1.00 0.00 C ATOM 267 OE1 GLU A 21 -20.293 -2.045 -4.809 1.00 0.00 O ATOM 268 OE2 GLU A 21 -18.704 -1.806 -6.351 1.00 0.00 O ATOM 0 H GLU A 21 -16.531 -1.300 -1.061 1.00 0.00 H new ATOM 0 HA GLU A 21 -15.843 -2.897 -3.149 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -18.102 -1.639 -2.374 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -17.701 -0.647 -3.762 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -17.262 -3.160 -4.803 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -18.540 -3.511 -3.656 1.00 0.00 H new ATOM 275 N ALA A 22 -14.905 0.185 -3.666 1.00 0.00 N ATOM 276 CA ALA A 22 -14.095 1.041 -4.516 1.00 0.00 C ATOM 277 C ALA A 22 -12.616 0.818 -4.196 1.00 0.00 C ATOM 278 O ALA A 22 -11.850 0.387 -5.056 1.00 0.00 O ATOM 279 CB ALA A 22 -14.520 2.499 -4.324 1.00 0.00 C ATOM 0 H ALA A 22 -15.215 0.618 -2.796 1.00 0.00 H new ATOM 0 HA ALA A 22 -14.246 0.792 -5.567 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.913 3.142 -4.961 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -15.571 2.610 -4.592 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -14.380 2.785 -3.282 1.00 0.00 H new ATOM 285 N GLU A 23 -12.259 1.121 -2.957 1.00 0.00 N ATOM 286 CA GLU A 23 -10.885 0.959 -2.512 1.00 0.00 C ATOM 287 C GLU A 23 -10.333 -0.390 -2.977 1.00 0.00 C ATOM 288 O GLU A 23 -9.245 -0.457 -3.546 1.00 0.00 O ATOM 289 CB GLU A 23 -10.780 1.101 -0.993 1.00 0.00 C ATOM 290 CG GLU A 23 -10.450 2.541 -0.598 1.00 0.00 C ATOM 291 CD GLU A 23 -10.936 2.846 0.821 1.00 0.00 C ATOM 292 OE1 GLU A 23 -10.614 2.037 1.717 1.00 0.00 O ATOM 293 OE2 GLU A 23 -11.619 3.882 0.976 1.00 0.00 O ATOM 0 H GLU A 23 -12.898 1.478 -2.246 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.283 1.750 -2.959 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.720 0.800 -0.530 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.009 0.430 -0.614 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.374 2.701 -0.660 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.916 3.231 -1.302 1.00 0.00 H new ATOM 300 N LEU A 24 -11.109 -1.432 -2.717 1.00 0.00 N ATOM 301 CA LEU A 24 -10.711 -2.776 -3.101 1.00 0.00 C ATOM 302 C LEU A 24 -10.108 -2.742 -4.507 1.00 0.00 C ATOM 303 O LEU A 24 -9.020 -3.270 -4.732 1.00 0.00 O ATOM 304 CB LEU A 24 -11.887 -3.744 -2.960 1.00 0.00 C ATOM 305 CG LEU A 24 -12.051 -4.406 -1.590 1.00 0.00 C ATOM 306 CD1 LEU A 24 -13.294 -5.297 -1.557 1.00 0.00 C ATOM 307 CD2 LEU A 24 -10.786 -5.172 -1.197 1.00 0.00 C ATOM 0 H LEU A 24 -12.011 -1.373 -2.245 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.938 -3.151 -2.430 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -12.805 -3.205 -3.193 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -11.778 -4.528 -3.709 1.00 0.00 H new ATOM 0 HG LEU A 24 -12.197 -3.622 -0.847 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -13.387 -5.755 -0.572 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -14.179 -4.695 -1.762 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -13.203 -6.077 -2.313 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -10.929 -5.633 -0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -10.585 -5.946 -1.937 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.942 -4.483 -1.154 1.00 0.00 H new ATOM 319 N VAL A 25 -10.841 -2.116 -5.416 1.00 0.00 N ATOM 320 CA VAL A 25 -10.392 -2.007 -6.793 1.00 0.00 C ATOM 321 C VAL A 25 -9.019 -1.331 -6.826 1.00 0.00 C ATOM 322 O VAL A 25 -8.089 -1.836 -7.453 1.00 0.00 O ATOM 323 CB VAL A 25 -11.441 -1.270 -7.629 1.00 0.00 C ATOM 324 CG1 VAL A 25 -10.923 -0.997 -9.042 1.00 0.00 C ATOM 325 CG2 VAL A 25 -12.756 -2.050 -7.668 1.00 0.00 C ATOM 0 H VAL A 25 -11.743 -1.679 -5.225 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.278 -2.996 -7.237 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.635 -0.309 -7.153 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.688 -0.473 -9.615 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.025 -0.382 -8.988 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.687 -1.942 -9.532 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -13.485 -1.505 -8.268 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.584 -3.032 -8.109 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -13.138 -2.170 -6.654 1.00 0.00 H new ATOM 335 N THR A 26 -8.937 -0.199 -6.142 1.00 0.00 N ATOM 336 CA THR A 26 -7.694 0.551 -6.084 1.00 0.00 C ATOM 337 C THR A 26 -6.574 -0.316 -5.506 1.00 0.00 C ATOM 338 O THR A 26 -5.463 -0.337 -6.035 1.00 0.00 O ATOM 339 CB THR A 26 -7.949 1.828 -5.282 1.00 0.00 C ATOM 340 OG1 THR A 26 -8.563 2.710 -6.218 1.00 0.00 O ATOM 341 CG2 THR A 26 -6.654 2.543 -4.891 1.00 0.00 C ATOM 0 H THR A 26 -9.711 0.217 -5.624 1.00 0.00 H new ATOM 0 HA THR A 26 -7.359 0.838 -7.081 1.00 0.00 H new ATOM 0 HB THR A 26 -8.515 1.584 -4.383 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.764 3.563 -5.780 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.892 3.443 -4.324 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.042 1.880 -4.279 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.104 2.817 -5.791 1.00 0.00 H new ATOM 349 N ALA A 27 -6.904 -1.011 -4.427 1.00 0.00 N ATOM 350 CA ALA A 27 -5.940 -1.878 -3.771 1.00 0.00 C ATOM 351 C ALA A 27 -5.420 -2.908 -4.776 1.00 0.00 C ATOM 352 O ALA A 27 -4.261 -3.314 -4.711 1.00 0.00 O ATOM 353 CB ALA A 27 -6.588 -2.531 -2.549 1.00 0.00 C ATOM 0 H ALA A 27 -7.826 -0.991 -3.991 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.085 -1.302 -3.417 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.864 -3.181 -2.057 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.913 -1.758 -1.853 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.449 -3.120 -2.865 1.00 0.00 H new ATOM 359 N GLU A 28 -6.303 -3.302 -5.682 1.00 0.00 N ATOM 360 CA GLU A 28 -5.948 -4.277 -6.699 1.00 0.00 C ATOM 361 C GLU A 28 -5.045 -3.637 -7.755 1.00 0.00 C ATOM 362 O GLU A 28 -4.120 -4.276 -8.255 1.00 0.00 O ATOM 363 CB GLU A 28 -7.200 -4.880 -7.341 1.00 0.00 C ATOM 364 CG GLU A 28 -7.704 -6.080 -6.536 1.00 0.00 C ATOM 365 CD GLU A 28 -7.484 -7.386 -7.303 1.00 0.00 C ATOM 366 OE1 GLU A 28 -6.396 -7.974 -7.122 1.00 0.00 O ATOM 367 OE2 GLU A 28 -8.409 -7.766 -8.053 1.00 0.00 O ATOM 0 H GLU A 28 -7.264 -2.963 -5.733 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.398 -5.088 -6.221 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.982 -4.124 -7.402 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.976 -5.190 -8.362 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.185 -6.124 -5.579 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.765 -5.956 -6.318 1.00 0.00 H new ATOM 374 N ALA A 29 -5.344 -2.384 -8.063 1.00 0.00 N ATOM 375 CA ALA A 29 -4.570 -1.651 -9.051 1.00 0.00 C ATOM 376 C ALA A 29 -3.108 -1.588 -8.603 1.00 0.00 C ATOM 377 O ALA A 29 -2.199 -1.684 -9.425 1.00 0.00 O ATOM 378 CB ALA A 29 -5.179 -0.261 -9.248 1.00 0.00 C ATOM 0 H ALA A 29 -6.112 -1.857 -7.646 1.00 0.00 H new ATOM 0 HA ALA A 29 -4.598 -2.159 -10.015 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.599 0.289 -9.989 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.208 -0.360 -9.594 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.165 0.280 -8.302 1.00 0.00 H new ATOM 384 N VAL A 30 -2.928 -1.427 -7.300 1.00 0.00 N ATOM 385 CA VAL A 30 -1.593 -1.351 -6.733 1.00 0.00 C ATOM 386 C VAL A 30 -0.947 -2.737 -6.772 1.00 0.00 C ATOM 387 O VAL A 30 0.214 -2.875 -7.155 1.00 0.00 O ATOM 388 CB VAL A 30 -1.656 -0.760 -5.323 1.00 0.00 C ATOM 389 CG1 VAL A 30 -0.360 -1.032 -4.556 1.00 0.00 C ATOM 390 CG2 VAL A 30 -1.961 0.739 -5.370 1.00 0.00 C ATOM 0 H VAL A 30 -3.685 -1.347 -6.621 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.965 -0.683 -7.323 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.470 -1.251 -4.790 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.431 -0.601 -3.557 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.203 -2.108 -4.477 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.478 -0.581 -5.087 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.000 1.134 -4.355 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.179 1.252 -5.929 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.922 0.900 -5.859 1.00 0.00 H new ATOM 400 N ARG A 31 -1.726 -3.730 -6.369 1.00 0.00 N ATOM 401 CA ARG A 31 -1.245 -5.100 -6.353 1.00 0.00 C ATOM 402 C ARG A 31 -0.654 -5.472 -7.715 1.00 0.00 C ATOM 403 O ARG A 31 0.376 -6.140 -7.787 1.00 0.00 O ATOM 404 CB ARG A 31 -2.372 -6.076 -6.010 1.00 0.00 C ATOM 405 CG ARG A 31 -1.857 -7.227 -5.143 1.00 0.00 C ATOM 406 CD ARG A 31 -3.017 -8.040 -4.566 1.00 0.00 C ATOM 407 NE ARG A 31 -4.060 -7.131 -4.041 1.00 0.00 N ATOM 408 CZ ARG A 31 -5.352 -7.464 -3.914 1.00 0.00 C ATOM 409 NH1 ARG A 31 -5.768 -8.686 -4.274 1.00 0.00 N ATOM 410 NH2 ARG A 31 -6.229 -6.575 -3.428 1.00 0.00 N ATOM 0 H ARG A 31 -2.688 -3.612 -6.051 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.473 -5.171 -5.587 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.168 -5.548 -5.484 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.806 -6.473 -6.928 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.214 -7.876 -5.738 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.247 -6.831 -4.331 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.439 -8.685 -5.337 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.655 -8.690 -3.770 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.778 -6.192 -3.758 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.101 -9.363 -4.645 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.751 -8.939 -4.177 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.913 -5.644 -3.155 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -7.212 -6.829 -3.332 1.00 0.00 H new ATOM 424 N SER A 32 -1.332 -5.022 -8.760 1.00 0.00 N ATOM 425 CA SER A 32 -0.888 -5.299 -10.116 1.00 0.00 C ATOM 426 C SER A 32 0.509 -4.715 -10.338 1.00 0.00 C ATOM 427 O SER A 32 1.322 -5.297 -11.054 1.00 0.00 O ATOM 428 CB SER A 32 -1.869 -4.733 -11.144 1.00 0.00 C ATOM 429 OG SER A 32 -2.386 -5.745 -12.003 1.00 0.00 O ATOM 0 H SER A 32 -2.186 -4.467 -8.696 1.00 0.00 H new ATOM 0 HA SER A 32 -0.849 -6.380 -10.249 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.693 -4.241 -10.626 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.368 -3.971 -11.742 1.00 0.00 H new ATOM 0 HG SER A 32 -3.010 -5.343 -12.643 1.00 0.00 H new ATOM 435 N VAL A 33 0.745 -3.573 -9.710 1.00 0.00 N ATOM 436 CA VAL A 33 2.029 -2.904 -9.830 1.00 0.00 C ATOM 437 C VAL A 33 3.124 -3.806 -9.258 1.00 0.00 C ATOM 438 O VAL A 33 4.187 -3.956 -9.860 1.00 0.00 O ATOM 439 CB VAL A 33 1.970 -1.533 -9.154 1.00 0.00 C ATOM 440 CG1 VAL A 33 3.283 -0.770 -9.345 1.00 0.00 C ATOM 441 CG2 VAL A 33 0.783 -0.717 -9.669 1.00 0.00 C ATOM 0 H VAL A 33 0.068 -3.094 -9.116 1.00 0.00 H new ATOM 0 HA VAL A 33 2.270 -2.724 -10.878 1.00 0.00 H new ATOM 0 HB VAL A 33 1.827 -1.694 -8.085 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.214 0.201 -8.855 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.102 -1.340 -8.907 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.469 -0.627 -10.409 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.765 0.253 -9.172 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.881 -0.572 -10.745 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.144 -1.250 -9.458 1.00 0.00 H new ATOM 451 N TRP A 34 2.828 -4.383 -8.103 1.00 0.00 N ATOM 452 CA TRP A 34 3.774 -5.266 -7.443 1.00 0.00 C ATOM 453 C TRP A 34 4.084 -6.424 -8.395 1.00 0.00 C ATOM 454 O TRP A 34 5.231 -6.609 -8.799 1.00 0.00 O ATOM 455 CB TRP A 34 3.236 -5.734 -6.089 1.00 0.00 C ATOM 456 CG TRP A 34 3.162 -4.629 -5.034 1.00 0.00 C ATOM 457 CD1 TRP A 34 2.760 -3.360 -5.194 1.00 0.00 C ATOM 458 CD2 TRP A 34 3.517 -4.746 -3.640 1.00 0.00 C ATOM 459 NE1 TRP A 34 2.830 -2.654 -4.010 1.00 0.00 N ATOM 460 CE2 TRP A 34 3.305 -3.524 -3.035 1.00 0.00 C ATOM 461 CE3 TRP A 34 4.001 -5.848 -2.914 1.00 0.00 C ATOM 462 CZ2 TRP A 34 3.550 -3.288 -1.677 1.00 0.00 C ATOM 463 CZ3 TRP A 34 4.241 -5.596 -1.558 1.00 0.00 C ATOM 464 CH2 TRP A 34 4.033 -4.371 -0.934 1.00 0.00 C ATOM 0 H TRP A 34 1.946 -4.256 -7.607 1.00 0.00 H new ATOM 0 HA TRP A 34 4.702 -4.739 -7.221 1.00 0.00 H new ATOM 0 HB2 TRP A 34 2.240 -6.154 -6.231 1.00 0.00 H new ATOM 0 HB3 TRP A 34 3.871 -6.537 -5.715 1.00 0.00 H new ATOM 0 HD1 TRP A 34 2.424 -2.943 -6.132 1.00 0.00 H new ATOM 0 HE1 TRP A 34 2.579 -1.674 -3.875 1.00 0.00 H new ATOM 0 HE3 TRP A 34 4.174 -6.813 -3.367 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 3.376 -2.322 -1.227 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 4.614 -6.410 -0.954 1.00 0.00 H new ATOM 0 HH2 TRP A 34 4.243 -4.256 0.119 1.00 0.00 H new ATOM 475 N GLN A 35 3.041 -7.171 -8.725 1.00 0.00 N ATOM 476 CA GLN A 35 3.187 -8.305 -9.622 1.00 0.00 C ATOM 477 C GLN A 35 3.972 -7.897 -10.871 1.00 0.00 C ATOM 478 O GLN A 35 4.931 -8.566 -11.252 1.00 0.00 O ATOM 479 CB GLN A 35 1.823 -8.887 -9.997 1.00 0.00 C ATOM 480 CG GLN A 35 1.288 -9.792 -8.886 1.00 0.00 C ATOM 481 CD GLN A 35 1.732 -11.241 -9.098 1.00 0.00 C ATOM 482 OE1 GLN A 35 2.955 -11.503 -8.648 1.00 0.00 O flip ATOM 483 NE2 GLN A 35 1.010 -12.066 -9.633 1.00 0.00 N flip ATOM 0 H GLN A 35 2.091 -7.013 -8.388 1.00 0.00 H new ATOM 0 HA GLN A 35 3.747 -9.083 -9.103 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.117 -8.078 -10.183 1.00 0.00 H new ATOM 0 HB3 GLN A 35 1.908 -9.455 -10.924 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.644 -9.436 -7.919 1.00 0.00 H new ATOM 0 HG3 GLN A 35 0.199 -9.741 -8.863 1.00 0.00 H new ATOM 0 HE21 GLN A 35 0.081 -11.797 -9.956 1.00 0.00 H new ATOM 0 HE22 GLN A 35 1.336 -13.025 -9.757 1.00 0.00 H new ATOM 492 N ARG A 36 3.535 -6.800 -11.472 1.00 0.00 N ATOM 493 CA ARG A 36 4.184 -6.294 -12.670 1.00 0.00 C ATOM 494 C ARG A 36 5.670 -6.045 -12.403 1.00 0.00 C ATOM 495 O ARG A 36 6.512 -6.321 -13.256 1.00 0.00 O ATOM 496 CB ARG A 36 3.533 -4.993 -13.142 1.00 0.00 C ATOM 497 CG ARG A 36 2.523 -5.259 -14.260 1.00 0.00 C ATOM 498 CD ARG A 36 1.140 -5.573 -13.686 1.00 0.00 C ATOM 499 NE ARG A 36 0.211 -5.943 -14.777 1.00 0.00 N ATOM 500 CZ ARG A 36 0.076 -7.186 -15.260 1.00 0.00 C ATOM 501 NH1 ARG A 36 0.809 -8.186 -14.750 1.00 0.00 N ATOM 502 NH2 ARG A 36 -0.791 -7.430 -16.251 1.00 0.00 N ATOM 0 H ARG A 36 2.740 -6.247 -11.152 1.00 0.00 H new ATOM 0 HA ARG A 36 4.072 -7.046 -13.451 1.00 0.00 H new ATOM 0 HB2 ARG A 36 3.033 -4.507 -12.304 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.301 -4.306 -13.497 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.461 -4.389 -14.913 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.864 -6.093 -14.873 1.00 0.00 H new ATOM 0 HD2 ARG A 36 1.212 -6.389 -12.967 1.00 0.00 H new ATOM 0 HD3 ARG A 36 0.755 -4.707 -13.148 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.363 -5.206 -15.187 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.469 -8.001 -13.995 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.707 -9.132 -15.117 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.349 -6.670 -16.639 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -0.893 -8.376 -16.618 1.00 0.00 H new ATOM 516 N ILE A 37 5.947 -5.526 -11.216 1.00 0.00 N ATOM 517 CA ILE A 37 7.316 -5.237 -10.826 1.00 0.00 C ATOM 518 C ILE A 37 8.047 -6.549 -10.535 1.00 0.00 C ATOM 519 O ILE A 37 8.916 -6.963 -11.301 1.00 0.00 O ATOM 520 CB ILE A 37 7.344 -4.246 -9.661 1.00 0.00 C ATOM 521 CG1 ILE A 37 7.049 -2.824 -10.143 1.00 0.00 C ATOM 522 CG2 ILE A 37 8.669 -4.330 -8.901 1.00 0.00 C ATOM 523 CD1 ILE A 37 7.245 -1.810 -9.014 1.00 0.00 C ATOM 0 H ILE A 37 5.246 -5.298 -10.511 1.00 0.00 H new ATOM 0 HA ILE A 37 7.849 -4.749 -11.642 1.00 0.00 H new ATOM 0 HB ILE A 37 6.554 -4.519 -8.962 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.705 -2.576 -10.977 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.026 -2.767 -10.514 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.662 -3.615 -8.078 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.798 -5.337 -8.506 1.00 0.00 H new ATOM 0 HG23 ILE A 37 9.492 -4.097 -9.577 1.00 0.00 H new ATOM 0 HD11 ILE A 37 7.029 -0.808 -9.384 1.00 0.00 H new ATOM 0 HD12 ILE A 37 6.570 -2.047 -8.191 1.00 0.00 H new ATOM 0 HD13 ILE A 37 8.276 -1.852 -8.662 1.00 0.00 H new ATOM 535 N LEU A 38 7.667 -7.167 -9.426 1.00 0.00 N ATOM 536 CA LEU A 38 8.276 -8.424 -9.024 1.00 0.00 C ATOM 537 C LEU A 38 7.945 -9.500 -10.060 1.00 0.00 C ATOM 538 O LEU A 38 6.793 -9.913 -10.186 1.00 0.00 O ATOM 539 CB LEU A 38 7.855 -8.792 -7.600 1.00 0.00 C ATOM 540 CG LEU A 38 8.132 -7.738 -6.525 1.00 0.00 C ATOM 541 CD1 LEU A 38 7.180 -7.902 -5.339 1.00 0.00 C ATOM 542 CD2 LEU A 38 9.599 -7.769 -6.092 1.00 0.00 C ATOM 0 H LEU A 38 6.945 -6.821 -8.794 1.00 0.00 H new ATOM 0 HA LEU A 38 9.362 -8.330 -8.997 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.787 -9.008 -7.602 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.365 -9.713 -7.318 1.00 0.00 H new ATOM 0 HG LEU A 38 7.944 -6.754 -6.954 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.398 -7.141 -4.590 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.151 -7.791 -5.680 1.00 0.00 H new ATOM 0 HD13 LEU A 38 7.312 -8.891 -4.901 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.769 -7.011 -5.328 1.00 0.00 H new ATOM 0 HD22 LEU A 38 9.838 -8.752 -5.687 1.00 0.00 H new ATOM 0 HD23 LEU A 38 10.237 -7.566 -6.952 1.00 0.00 H new ATOM 554 N PRO A 39 9.003 -9.935 -10.795 1.00 0.00 N ATOM 555 CA PRO A 39 8.837 -10.955 -11.817 1.00 0.00 C ATOM 556 C PRO A 39 8.663 -12.338 -11.187 1.00 0.00 C ATOM 557 O PRO A 39 7.568 -12.899 -11.205 1.00 0.00 O ATOM 558 CB PRO A 39 10.081 -10.850 -12.684 1.00 0.00 C ATOM 559 CG PRO A 39 11.107 -10.099 -11.852 1.00 0.00 C ATOM 560 CD PRO A 39 10.382 -9.468 -10.675 1.00 0.00 C ATOM 0 HA PRO A 39 7.938 -10.809 -12.415 1.00 0.00 H new ATOM 0 HB2 PRO A 39 10.449 -11.838 -12.960 1.00 0.00 H new ATOM 0 HB3 PRO A 39 9.867 -10.320 -13.612 1.00 0.00 H new ATOM 0 HG2 PRO A 39 11.885 -10.778 -11.502 1.00 0.00 H new ATOM 0 HG3 PRO A 39 11.599 -9.333 -12.452 1.00 0.00 H new ATOM 0 HD2 PRO A 39 10.823 -9.776 -9.727 1.00 0.00 H new ATOM 0 HD3 PRO A 39 10.436 -8.380 -10.714 1.00 0.00 H new ATOM 568 N LYS A 40 9.758 -12.848 -10.644 1.00 0.00 N ATOM 569 CA LYS A 40 9.740 -14.155 -10.010 1.00 0.00 C ATOM 570 C LYS A 40 8.435 -14.321 -9.229 1.00 0.00 C ATOM 571 O LYS A 40 7.804 -15.376 -9.283 1.00 0.00 O ATOM 572 CB LYS A 40 10.995 -14.355 -9.158 1.00 0.00 C ATOM 573 CG LYS A 40 12.236 -14.515 -10.039 1.00 0.00 C ATOM 574 CD LYS A 40 12.460 -15.982 -10.409 1.00 0.00 C ATOM 575 CE LYS A 40 13.557 -16.605 -9.543 1.00 0.00 C ATOM 576 NZ LYS A 40 13.762 -18.025 -9.907 1.00 0.00 N ATOM 0 H LYS A 40 10.664 -12.380 -10.630 1.00 0.00 H new ATOM 0 HA LYS A 40 9.764 -14.943 -10.763 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.126 -13.503 -8.491 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.875 -15.237 -8.529 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.122 -13.921 -10.946 1.00 0.00 H new ATOM 0 HG3 LYS A 40 13.111 -14.131 -9.514 1.00 0.00 H new ATOM 0 HD2 LYS A 40 11.531 -16.539 -10.282 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.735 -16.057 -11.461 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.488 -16.053 -9.672 1.00 0.00 H new ATOM 0 HE3 LYS A 40 13.284 -16.529 -8.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.510 -18.432 -9.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 12.877 -18.552 -9.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 14.043 -18.090 -10.906 1.00 0.00 H new ATOM 590 N VAL A 41 8.067 -13.263 -8.522 1.00 0.00 N ATOM 591 CA VAL A 41 6.848 -13.277 -7.731 1.00 0.00 C ATOM 592 C VAL A 41 5.665 -13.636 -8.633 1.00 0.00 C ATOM 593 O VAL A 41 5.266 -12.843 -9.484 1.00 0.00 O ATOM 594 CB VAL A 41 6.671 -11.935 -7.019 1.00 0.00 C ATOM 595 CG1 VAL A 41 5.321 -11.870 -6.302 1.00 0.00 C ATOM 596 CG2 VAL A 41 7.822 -11.675 -6.045 1.00 0.00 C ATOM 0 H VAL A 41 8.592 -12.389 -8.480 1.00 0.00 H new ATOM 0 HA VAL A 41 6.906 -14.037 -6.952 1.00 0.00 H new ATOM 0 HB VAL A 41 6.688 -11.150 -7.775 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.220 -10.906 -5.804 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.517 -11.989 -7.028 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.263 -12.669 -5.562 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.672 -10.714 -5.552 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.851 -12.467 -5.296 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.765 -11.658 -6.592 1.00 0.00 H new ATOM 606 N LEU A 42 5.138 -14.832 -8.415 1.00 0.00 N ATOM 607 CA LEU A 42 4.009 -15.306 -9.197 1.00 0.00 C ATOM 608 C LEU A 42 2.722 -14.680 -8.657 1.00 0.00 C ATOM 609 O LEU A 42 1.811 -14.367 -9.423 1.00 0.00 O ATOM 610 CB LEU A 42 3.983 -16.836 -9.229 1.00 0.00 C ATOM 611 CG LEU A 42 4.914 -17.502 -10.244 1.00 0.00 C ATOM 612 CD1 LEU A 42 5.888 -18.457 -9.551 1.00 0.00 C ATOM 613 CD2 LEU A 42 4.114 -18.198 -11.347 1.00 0.00 C ATOM 0 H LEU A 42 5.472 -15.487 -7.708 1.00 0.00 H new ATOM 0 HA LEU A 42 4.106 -14.991 -10.236 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.238 -17.205 -8.235 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.962 -17.158 -9.436 1.00 0.00 H new ATOM 0 HG LEU A 42 5.511 -16.725 -10.721 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.538 -18.917 -10.295 1.00 0.00 H new ATOM 0 HD12 LEU A 42 6.493 -17.902 -8.834 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.328 -19.233 -9.030 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.800 -18.663 -12.055 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.474 -18.962 -10.906 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.497 -17.465 -11.867 1.00 0.00 H new ATOM 625 N GLU A 43 2.687 -14.517 -7.343 1.00 0.00 N ATOM 626 CA GLU A 43 1.526 -13.934 -6.692 1.00 0.00 C ATOM 627 C GLU A 43 1.965 -12.941 -5.614 1.00 0.00 C ATOM 628 O GLU A 43 3.027 -13.101 -5.013 1.00 0.00 O ATOM 629 CB GLU A 43 0.625 -15.021 -6.102 1.00 0.00 C ATOM 630 CG GLU A 43 1.279 -15.674 -4.884 1.00 0.00 C ATOM 631 CD GLU A 43 0.957 -17.169 -4.824 1.00 0.00 C ATOM 632 OE1 GLU A 43 1.118 -17.827 -5.875 1.00 0.00 O ATOM 633 OE2 GLU A 43 0.558 -17.620 -3.729 1.00 0.00 O ATOM 0 H GLU A 43 3.444 -14.778 -6.711 1.00 0.00 H new ATOM 0 HA GLU A 43 0.946 -13.395 -7.441 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.334 -14.588 -5.816 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.420 -15.778 -6.859 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.359 -15.532 -4.927 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.930 -15.186 -3.974 1.00 0.00 H new ATOM 640 N VAL A 44 1.126 -11.938 -5.401 1.00 0.00 N ATOM 641 CA VAL A 44 1.414 -10.920 -4.405 1.00 0.00 C ATOM 642 C VAL A 44 0.280 -10.881 -3.379 1.00 0.00 C ATOM 643 O VAL A 44 -0.878 -10.668 -3.735 1.00 0.00 O ATOM 644 CB VAL A 44 1.648 -9.571 -5.089 1.00 0.00 C ATOM 645 CG1 VAL A 44 1.276 -8.414 -4.160 1.00 0.00 C ATOM 646 CG2 VAL A 44 3.094 -9.444 -5.572 1.00 0.00 C ATOM 0 H VAL A 44 0.247 -11.809 -5.901 1.00 0.00 H new ATOM 0 HA VAL A 44 2.331 -11.160 -3.867 1.00 0.00 H new ATOM 0 HB VAL A 44 0.998 -9.521 -5.963 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.452 -7.467 -4.670 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.223 -8.490 -3.888 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.888 -8.460 -3.259 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.233 -8.476 -6.054 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.770 -9.526 -4.721 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.310 -10.239 -6.285 1.00 0.00 H new ATOM 656 N GLU A 45 0.653 -11.091 -2.125 1.00 0.00 N ATOM 657 CA GLU A 45 -0.318 -11.082 -1.044 1.00 0.00 C ATOM 658 C GLU A 45 0.023 -9.986 -0.033 1.00 0.00 C ATOM 659 O GLU A 45 0.959 -9.215 -0.239 1.00 0.00 O ATOM 660 CB GLU A 45 -0.393 -12.451 -0.364 1.00 0.00 C ATOM 661 CG GLU A 45 0.978 -12.876 0.166 1.00 0.00 C ATOM 662 CD GLU A 45 1.199 -14.378 -0.027 1.00 0.00 C ATOM 663 OE1 GLU A 45 0.503 -15.148 0.671 1.00 0.00 O ATOM 664 OE2 GLU A 45 2.057 -14.722 -0.867 1.00 0.00 O ATOM 0 H GLU A 45 1.614 -11.268 -1.833 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.300 -10.867 -1.465 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.109 -12.414 0.457 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.759 -13.194 -1.073 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.760 -12.320 -0.351 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.056 -12.626 1.224 1.00 0.00 H new ATOM 671 N ASP A 46 -0.756 -9.951 1.039 1.00 0.00 N ATOM 672 CA ASP A 46 -0.548 -8.961 2.083 1.00 0.00 C ATOM 673 C ASP A 46 0.741 -9.287 2.839 1.00 0.00 C ATOM 674 O ASP A 46 1.414 -8.388 3.342 1.00 0.00 O ATOM 675 CB ASP A 46 -1.701 -8.971 3.088 1.00 0.00 C ATOM 676 CG ASP A 46 -3.083 -9.235 2.485 1.00 0.00 C ATOM 677 OD1 ASP A 46 -3.439 -10.429 2.385 1.00 0.00 O ATOM 678 OD2 ASP A 46 -3.751 -8.238 2.138 1.00 0.00 O ATOM 0 H ASP A 46 -1.532 -10.592 1.207 1.00 0.00 H new ATOM 0 HA ASP A 46 -0.489 -7.980 1.611 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -1.499 -9.732 3.842 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.723 -8.010 3.602 1.00 0.00 H new ATOM 683 N SER A 47 1.047 -10.575 2.896 1.00 0.00 N ATOM 684 CA SER A 47 2.244 -11.030 3.583 1.00 0.00 C ATOM 685 C SER A 47 3.482 -10.714 2.742 1.00 0.00 C ATOM 686 O SER A 47 4.526 -10.351 3.281 1.00 0.00 O ATOM 687 CB SER A 47 2.172 -12.530 3.879 1.00 0.00 C ATOM 688 OG SER A 47 3.379 -13.018 4.458 1.00 0.00 O ATOM 0 H SER A 47 0.487 -11.318 2.478 1.00 0.00 H new ATOM 0 HA SER A 47 2.314 -10.502 4.534 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.340 -12.727 4.555 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.967 -13.072 2.956 1.00 0.00 H new ATOM 0 HG SER A 47 3.293 -13.978 4.633 1.00 0.00 H new ATOM 694 N THR A 48 3.324 -10.863 1.435 1.00 0.00 N ATOM 695 CA THR A 48 4.416 -10.597 0.514 1.00 0.00 C ATOM 696 C THR A 48 5.144 -9.309 0.907 1.00 0.00 C ATOM 697 O THR A 48 4.514 -8.270 1.097 1.00 0.00 O ATOM 698 CB THR A 48 3.842 -10.563 -0.903 1.00 0.00 C ATOM 699 OG1 THR A 48 3.962 -11.907 -1.360 1.00 0.00 O ATOM 700 CG2 THR A 48 4.717 -9.761 -1.870 1.00 0.00 C ATOM 0 H THR A 48 2.456 -11.165 0.992 1.00 0.00 H new ATOM 0 HA THR A 48 5.169 -11.384 0.556 1.00 0.00 H new ATOM 0 HB THR A 48 2.840 -10.134 -0.878 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.611 -11.975 -2.272 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.265 -9.768 -2.862 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.801 -8.733 -1.517 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.709 -10.210 -1.921 1.00 0.00 H new ATOM 708 N ASP A 49 6.459 -9.421 1.017 1.00 0.00 N ATOM 709 CA ASP A 49 7.279 -8.278 1.383 1.00 0.00 C ATOM 710 C ASP A 49 7.918 -7.690 0.124 1.00 0.00 C ATOM 711 O ASP A 49 8.688 -8.364 -0.559 1.00 0.00 O ATOM 712 CB ASP A 49 8.403 -8.690 2.336 1.00 0.00 C ATOM 713 CG ASP A 49 8.486 -7.875 3.628 1.00 0.00 C ATOM 714 OD1 ASP A 49 8.945 -6.716 3.540 1.00 0.00 O ATOM 715 OD2 ASP A 49 8.089 -8.430 4.675 1.00 0.00 O ATOM 0 H ASP A 49 6.977 -10.285 0.859 1.00 0.00 H new ATOM 0 HA ASP A 49 6.638 -7.547 1.876 1.00 0.00 H new ATOM 0 HB2 ASP A 49 8.273 -9.741 2.595 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.354 -8.607 1.810 1.00 0.00 H new ATOM 720 N PHE A 50 7.575 -6.439 -0.146 1.00 0.00 N ATOM 721 CA PHE A 50 8.106 -5.752 -1.311 1.00 0.00 C ATOM 722 C PHE A 50 9.624 -5.921 -1.404 1.00 0.00 C ATOM 723 O PHE A 50 10.201 -5.798 -2.483 1.00 0.00 O ATOM 724 CB PHE A 50 7.780 -4.267 -1.142 1.00 0.00 C ATOM 725 CG PHE A 50 8.126 -3.410 -2.362 1.00 0.00 C ATOM 726 CD1 PHE A 50 7.490 -3.623 -3.545 1.00 0.00 C ATOM 727 CD2 PHE A 50 9.070 -2.437 -2.264 1.00 0.00 C ATOM 728 CE1 PHE A 50 7.811 -2.829 -4.677 1.00 0.00 C ATOM 729 CE2 PHE A 50 9.392 -1.642 -3.396 1.00 0.00 C ATOM 730 CZ PHE A 50 8.755 -1.855 -4.579 1.00 0.00 C ATOM 0 H PHE A 50 6.936 -5.883 0.422 1.00 0.00 H new ATOM 0 HA PHE A 50 7.665 -6.165 -2.218 1.00 0.00 H new ATOM 0 HB2 PHE A 50 6.717 -4.161 -0.927 1.00 0.00 H new ATOM 0 HB3 PHE A 50 8.320 -3.883 -0.277 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.740 -4.397 -3.623 1.00 0.00 H new ATOM 0 HD2 PHE A 50 9.576 -2.268 -1.325 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.305 -2.998 -5.616 1.00 0.00 H new ATOM 0 HE2 PHE A 50 10.142 -0.869 -3.318 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.999 -1.251 -5.440 1.00 0.00 H new ATOM 740 N PHE A 51 10.226 -6.202 -0.258 1.00 0.00 N ATOM 741 CA PHE A 51 11.666 -6.389 -0.196 1.00 0.00 C ATOM 742 C PHE A 51 12.036 -7.860 -0.400 1.00 0.00 C ATOM 743 O PHE A 51 12.622 -8.220 -1.420 1.00 0.00 O ATOM 744 CB PHE A 51 12.114 -5.952 1.200 1.00 0.00 C ATOM 745 CG PHE A 51 11.939 -4.456 1.470 1.00 0.00 C ATOM 746 CD1 PHE A 51 12.200 -3.553 0.488 1.00 0.00 C ATOM 747 CD2 PHE A 51 11.522 -4.031 2.693 1.00 0.00 C ATOM 748 CE1 PHE A 51 12.036 -2.165 0.738 1.00 0.00 C ATOM 749 CE2 PHE A 51 11.359 -2.642 2.943 1.00 0.00 C ATOM 750 CZ PHE A 51 11.619 -1.739 1.961 1.00 0.00 C ATOM 0 H PHE A 51 9.743 -6.305 0.635 1.00 0.00 H new ATOM 0 HA PHE A 51 12.151 -5.807 -0.980 1.00 0.00 H new ATOM 0 HB2 PHE A 51 11.549 -6.514 1.944 1.00 0.00 H new ATOM 0 HB3 PHE A 51 13.164 -6.214 1.332 1.00 0.00 H new ATOM 0 HD1 PHE A 51 12.532 -3.891 -0.482 1.00 0.00 H new ATOM 0 HD2 PHE A 51 11.315 -4.749 3.473 1.00 0.00 H new ATOM 0 HE1 PHE A 51 12.242 -1.448 -0.042 1.00 0.00 H new ATOM 0 HE2 PHE A 51 11.028 -2.303 3.914 1.00 0.00 H new ATOM 0 HZ PHE A 51 11.495 -0.683 2.152 1.00 0.00 H new ATOM 760 N LYS A 52 11.679 -8.669 0.586 1.00 0.00 N ATOM 761 CA LYS A 52 11.967 -10.093 0.527 1.00 0.00 C ATOM 762 C LYS A 52 11.787 -10.586 -0.910 1.00 0.00 C ATOM 763 O LYS A 52 12.593 -11.371 -1.406 1.00 0.00 O ATOM 764 CB LYS A 52 11.120 -10.853 1.549 1.00 0.00 C ATOM 765 CG LYS A 52 11.803 -10.877 2.918 1.00 0.00 C ATOM 766 CD LYS A 52 11.441 -9.633 3.733 1.00 0.00 C ATOM 767 CE LYS A 52 12.692 -8.827 4.088 1.00 0.00 C ATOM 768 NZ LYS A 52 12.715 -8.518 5.536 1.00 0.00 N ATOM 0 H LYS A 52 11.193 -8.367 1.430 1.00 0.00 H new ATOM 0 HA LYS A 52 13.004 -10.284 0.802 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.140 -10.383 1.636 1.00 0.00 H new ATOM 0 HB3 LYS A 52 10.955 -11.873 1.203 1.00 0.00 H new ATOM 0 HG2 LYS A 52 11.503 -11.773 3.462 1.00 0.00 H new ATOM 0 HG3 LYS A 52 12.884 -10.929 2.788 1.00 0.00 H new ATOM 0 HD2 LYS A 52 10.751 -9.009 3.164 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.924 -9.929 4.646 1.00 0.00 H new ATOM 0 HE2 LYS A 52 13.584 -9.391 3.816 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.711 -7.902 3.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.570 -7.971 5.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.872 -7.962 5.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 12.718 -9.404 6.080 1.00 0.00 H new ATOM 782 N SER A 53 10.724 -10.105 -1.538 1.00 0.00 N ATOM 783 CA SER A 53 10.427 -10.487 -2.908 1.00 0.00 C ATOM 784 C SER A 53 11.689 -10.379 -3.766 1.00 0.00 C ATOM 785 O SER A 53 12.060 -11.329 -4.454 1.00 0.00 O ATOM 786 CB SER A 53 9.311 -9.619 -3.492 1.00 0.00 C ATOM 787 OG SER A 53 8.019 -10.069 -3.093 1.00 0.00 O ATOM 0 H SER A 53 10.058 -9.454 -1.123 1.00 0.00 H new ATOM 0 HA SER A 53 10.083 -11.521 -2.908 1.00 0.00 H new ATOM 0 HB2 SER A 53 9.450 -8.586 -3.172 1.00 0.00 H new ATOM 0 HB3 SER A 53 9.377 -9.627 -4.580 1.00 0.00 H new ATOM 0 HG SER A 53 7.812 -9.719 -2.201 1.00 0.00 H new ATOM 793 N GLY A 54 12.314 -9.212 -3.698 1.00 0.00 N ATOM 794 CA GLY A 54 13.526 -8.967 -4.461 1.00 0.00 C ATOM 795 C GLY A 54 13.470 -7.606 -5.157 1.00 0.00 C ATOM 796 O GLY A 54 13.861 -7.481 -6.317 1.00 0.00 O ATOM 0 H GLY A 54 12.004 -8.426 -3.126 1.00 0.00 H new ATOM 0 HA2 GLY A 54 14.391 -9.005 -3.799 1.00 0.00 H new ATOM 0 HA3 GLY A 54 13.658 -9.754 -5.204 1.00 0.00 H new ATOM 800 N ALA A 55 12.981 -6.620 -4.420 1.00 0.00 N ATOM 801 CA ALA A 55 12.869 -5.272 -4.952 1.00 0.00 C ATOM 802 C ALA A 55 14.064 -4.441 -4.480 1.00 0.00 C ATOM 803 O ALA A 55 14.449 -4.508 -3.314 1.00 0.00 O ATOM 804 CB ALA A 55 11.531 -4.664 -4.525 1.00 0.00 C ATOM 0 H ALA A 55 12.658 -6.727 -3.459 1.00 0.00 H new ATOM 0 HA ALA A 55 12.888 -5.287 -6.042 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.447 -3.653 -4.924 1.00 0.00 H new ATOM 0 HB2 ALA A 55 10.714 -5.275 -4.910 1.00 0.00 H new ATOM 0 HB3 ALA A 55 11.477 -4.630 -3.437 1.00 0.00 H new ATOM 810 N ALA A 56 14.618 -3.678 -5.411 1.00 0.00 N ATOM 811 CA ALA A 56 15.761 -2.835 -5.106 1.00 0.00 C ATOM 812 C ALA A 56 15.271 -1.437 -4.725 1.00 0.00 C ATOM 813 O ALA A 56 14.104 -1.107 -4.930 1.00 0.00 O ATOM 814 CB ALA A 56 16.714 -2.814 -6.302 1.00 0.00 C ATOM 0 H ALA A 56 14.296 -3.626 -6.377 1.00 0.00 H new ATOM 0 HA ALA A 56 16.315 -3.233 -4.256 1.00 0.00 H new ATOM 0 HB1 ALA A 56 17.572 -2.181 -6.073 1.00 0.00 H new ATOM 0 HB2 ALA A 56 17.056 -3.827 -6.512 1.00 0.00 H new ATOM 0 HB3 ALA A 56 16.194 -2.418 -7.175 1.00 0.00 H new ATOM 820 N SER A 57 16.188 -0.652 -4.178 1.00 0.00 N ATOM 821 CA SER A 57 15.864 0.704 -3.768 1.00 0.00 C ATOM 822 C SER A 57 15.267 1.478 -4.944 1.00 0.00 C ATOM 823 O SER A 57 14.670 2.537 -4.756 1.00 0.00 O ATOM 824 CB SER A 57 17.100 1.426 -3.229 1.00 0.00 C ATOM 825 OG SER A 57 17.960 1.867 -4.276 1.00 0.00 O ATOM 0 H SER A 57 17.155 -0.929 -4.009 1.00 0.00 H new ATOM 0 HA SER A 57 15.128 0.652 -2.965 1.00 0.00 H new ATOM 0 HB2 SER A 57 16.788 2.282 -2.632 1.00 0.00 H new ATOM 0 HB3 SER A 57 17.649 0.758 -2.566 1.00 0.00 H new ATOM 0 HG SER A 57 18.736 2.325 -3.891 1.00 0.00 H new ATOM 831 N VAL A 58 15.448 0.920 -6.132 1.00 0.00 N ATOM 832 CA VAL A 58 14.935 1.545 -7.339 1.00 0.00 C ATOM 833 C VAL A 58 13.422 1.330 -7.416 1.00 0.00 C ATOM 834 O VAL A 58 12.657 2.292 -7.466 1.00 0.00 O ATOM 835 CB VAL A 58 15.678 1.008 -8.563 1.00 0.00 C ATOM 836 CG1 VAL A 58 14.701 0.659 -9.688 1.00 0.00 C ATOM 837 CG2 VAL A 58 16.735 2.004 -9.044 1.00 0.00 C ATOM 0 H VAL A 58 15.943 0.041 -6.284 1.00 0.00 H new ATOM 0 HA VAL A 58 15.110 2.621 -7.316 1.00 0.00 H new ATOM 0 HB VAL A 58 16.191 0.092 -8.268 1.00 0.00 H new ATOM 0 HG11 VAL A 58 15.255 0.280 -10.546 1.00 0.00 H new ATOM 0 HG12 VAL A 58 14.003 -0.103 -9.341 1.00 0.00 H new ATOM 0 HG13 VAL A 58 14.148 1.552 -9.979 1.00 0.00 H new ATOM 0 HG21 VAL A 58 17.248 1.597 -9.915 1.00 0.00 H new ATOM 0 HG22 VAL A 58 16.253 2.944 -9.313 1.00 0.00 H new ATOM 0 HG23 VAL A 58 17.457 2.181 -8.247 1.00 0.00 H new ATOM 847 N ASP A 59 13.036 0.063 -7.422 1.00 0.00 N ATOM 848 CA ASP A 59 11.628 -0.290 -7.491 1.00 0.00 C ATOM 849 C ASP A 59 10.846 0.546 -6.477 1.00 0.00 C ATOM 850 O ASP A 59 9.689 0.891 -6.712 1.00 0.00 O ATOM 851 CB ASP A 59 11.414 -1.767 -7.152 1.00 0.00 C ATOM 852 CG ASP A 59 10.964 -2.641 -8.325 1.00 0.00 C ATOM 853 OD1 ASP A 59 10.381 -2.066 -9.270 1.00 0.00 O ATOM 854 OD2 ASP A 59 11.212 -3.863 -8.250 1.00 0.00 O ATOM 0 H ASP A 59 13.674 -0.732 -7.380 1.00 0.00 H new ATOM 0 HA ASP A 59 11.282 -0.099 -8.507 1.00 0.00 H new ATOM 0 HB2 ASP A 59 12.344 -2.171 -6.753 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.670 -1.838 -6.359 1.00 0.00 H new ATOM 859 N VAL A 60 11.509 0.848 -5.370 1.00 0.00 N ATOM 860 CA VAL A 60 10.890 1.638 -4.319 1.00 0.00 C ATOM 861 C VAL A 60 10.277 2.900 -4.929 1.00 0.00 C ATOM 862 O VAL A 60 9.145 3.260 -4.611 1.00 0.00 O ATOM 863 CB VAL A 60 11.912 1.941 -3.221 1.00 0.00 C ATOM 864 CG1 VAL A 60 11.350 2.940 -2.209 1.00 0.00 C ATOM 865 CG2 VAL A 60 12.369 0.655 -2.528 1.00 0.00 C ATOM 0 H VAL A 60 12.468 0.560 -5.178 1.00 0.00 H new ATOM 0 HA VAL A 60 10.082 1.079 -3.847 1.00 0.00 H new ATOM 0 HB VAL A 60 12.784 2.396 -3.691 1.00 0.00 H new ATOM 0 HG11 VAL A 60 12.097 3.138 -1.440 1.00 0.00 H new ATOM 0 HG12 VAL A 60 11.098 3.870 -2.718 1.00 0.00 H new ATOM 0 HG13 VAL A 60 10.454 2.525 -1.747 1.00 0.00 H new ATOM 0 HG21 VAL A 60 13.095 0.898 -1.752 1.00 0.00 H new ATOM 0 HG22 VAL A 60 11.509 0.159 -2.078 1.00 0.00 H new ATOM 0 HG23 VAL A 60 12.829 -0.009 -3.260 1.00 0.00 H new ATOM 875 N VAL A 61 11.051 3.537 -5.795 1.00 0.00 N ATOM 876 CA VAL A 61 10.598 4.751 -6.453 1.00 0.00 C ATOM 877 C VAL A 61 9.560 4.392 -7.518 1.00 0.00 C ATOM 878 O VAL A 61 8.597 5.128 -7.723 1.00 0.00 O ATOM 879 CB VAL A 61 11.796 5.517 -7.019 1.00 0.00 C ATOM 880 CG1 VAL A 61 11.374 6.901 -7.517 1.00 0.00 C ATOM 881 CG2 VAL A 61 12.917 5.624 -5.984 1.00 0.00 C ATOM 0 H VAL A 61 11.990 3.235 -6.057 1.00 0.00 H new ATOM 0 HA VAL A 61 10.113 5.415 -5.738 1.00 0.00 H new ATOM 0 HB VAL A 61 12.181 4.957 -7.871 1.00 0.00 H new ATOM 0 HG11 VAL A 61 12.243 7.425 -7.914 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.625 6.793 -8.302 1.00 0.00 H new ATOM 0 HG13 VAL A 61 10.952 7.472 -6.690 1.00 0.00 H new ATOM 0 HG21 VAL A 61 13.756 6.173 -6.412 1.00 0.00 H new ATOM 0 HG22 VAL A 61 12.550 6.151 -5.103 1.00 0.00 H new ATOM 0 HG23 VAL A 61 13.245 4.625 -5.698 1.00 0.00 H new ATOM 891 N ARG A 62 9.792 3.260 -8.167 1.00 0.00 N ATOM 892 CA ARG A 62 8.889 2.795 -9.205 1.00 0.00 C ATOM 893 C ARG A 62 7.488 2.576 -8.631 1.00 0.00 C ATOM 894 O ARG A 62 6.517 3.158 -9.114 1.00 0.00 O ATOM 895 CB ARG A 62 9.388 1.488 -9.825 1.00 0.00 C ATOM 896 CG ARG A 62 9.055 1.425 -11.317 1.00 0.00 C ATOM 897 CD ARG A 62 9.771 0.253 -11.990 1.00 0.00 C ATOM 898 NE ARG A 62 8.821 -0.499 -12.840 1.00 0.00 N ATOM 899 CZ ARG A 62 9.189 -1.402 -13.760 1.00 0.00 C ATOM 900 NH1 ARG A 62 10.487 -1.670 -13.954 1.00 0.00 N ATOM 901 NH2 ARG A 62 8.258 -2.036 -14.486 1.00 0.00 N ATOM 0 H ARG A 62 10.592 2.652 -7.994 1.00 0.00 H new ATOM 0 HA ARG A 62 8.853 3.561 -9.980 1.00 0.00 H new ATOM 0 HB2 ARG A 62 10.466 1.404 -9.686 1.00 0.00 H new ATOM 0 HB3 ARG A 62 8.933 0.641 -9.311 1.00 0.00 H new ATOM 0 HG2 ARG A 62 7.978 1.322 -11.449 1.00 0.00 H new ATOM 0 HG3 ARG A 62 9.347 2.359 -11.798 1.00 0.00 H new ATOM 0 HD2 ARG A 62 10.600 0.621 -12.594 1.00 0.00 H new ATOM 0 HD3 ARG A 62 10.196 -0.407 -11.234 1.00 0.00 H new ATOM 0 HE ARG A 62 7.824 -0.319 -12.718 1.00 0.00 H new ATOM 0 HH11 ARG A 62 11.196 -1.187 -13.402 1.00 0.00 H new ATOM 0 HH12 ARG A 62 10.767 -2.357 -14.654 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.270 -1.831 -14.339 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.538 -2.723 -15.186 1.00 0.00 H new ATOM 915 N LEU A 63 7.426 1.736 -7.609 1.00 0.00 N ATOM 916 CA LEU A 63 6.160 1.434 -6.964 1.00 0.00 C ATOM 917 C LEU A 63 5.462 2.740 -6.582 1.00 0.00 C ATOM 918 O LEU A 63 4.322 2.978 -6.978 1.00 0.00 O ATOM 919 CB LEU A 63 6.373 0.483 -5.784 1.00 0.00 C ATOM 920 CG LEU A 63 5.357 0.589 -4.645 1.00 0.00 C ATOM 921 CD1 LEU A 63 3.946 0.256 -5.136 1.00 0.00 C ATOM 922 CD2 LEU A 63 5.771 -0.282 -3.457 1.00 0.00 C ATOM 0 H LEU A 63 8.233 1.255 -7.211 1.00 0.00 H new ATOM 0 HA LEU A 63 5.498 0.908 -7.652 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.361 -0.540 -6.161 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.368 0.661 -5.375 1.00 0.00 H new ATOM 0 HG LEU A 63 5.342 1.622 -4.297 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.243 0.339 -4.307 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.661 0.953 -5.924 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.927 -0.761 -5.527 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.032 -0.188 -2.662 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.833 -1.323 -3.773 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.744 0.044 -3.088 1.00 0.00 H new ATOM 934 N VAL A 64 6.175 3.554 -5.817 1.00 0.00 N ATOM 935 CA VAL A 64 5.638 4.830 -5.378 1.00 0.00 C ATOM 936 C VAL A 64 5.214 5.648 -6.599 1.00 0.00 C ATOM 937 O VAL A 64 4.120 6.209 -6.625 1.00 0.00 O ATOM 938 CB VAL A 64 6.662 5.554 -4.500 1.00 0.00 C ATOM 939 CG1 VAL A 64 6.086 6.860 -3.950 1.00 0.00 C ATOM 940 CG2 VAL A 64 7.149 4.649 -3.367 1.00 0.00 C ATOM 0 H VAL A 64 7.120 3.354 -5.490 1.00 0.00 H new ATOM 0 HA VAL A 64 4.750 4.679 -4.764 1.00 0.00 H new ATOM 0 HB VAL A 64 7.521 5.803 -5.123 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.833 7.355 -3.330 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.811 7.514 -4.778 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.202 6.644 -3.350 1.00 0.00 H new ATOM 0 HG21 VAL A 64 7.875 5.187 -2.758 1.00 0.00 H new ATOM 0 HG22 VAL A 64 6.302 4.355 -2.747 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.617 3.759 -3.788 1.00 0.00 H new ATOM 950 N GLU A 65 6.102 5.689 -7.581 1.00 0.00 N ATOM 951 CA GLU A 65 5.833 6.429 -8.803 1.00 0.00 C ATOM 952 C GLU A 65 4.589 5.872 -9.497 1.00 0.00 C ATOM 953 O GLU A 65 3.776 6.631 -10.024 1.00 0.00 O ATOM 954 CB GLU A 65 7.043 6.400 -9.739 1.00 0.00 C ATOM 955 CG GLU A 65 8.134 7.356 -9.255 1.00 0.00 C ATOM 956 CD GLU A 65 8.210 8.598 -10.145 1.00 0.00 C ATOM 957 OE1 GLU A 65 8.793 8.474 -11.244 1.00 0.00 O ATOM 958 OE2 GLU A 65 7.683 9.643 -9.707 1.00 0.00 O ATOM 0 H GLU A 65 7.008 5.222 -7.556 1.00 0.00 H new ATOM 0 HA GLU A 65 5.643 7.470 -8.541 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.441 5.387 -9.794 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.734 6.676 -10.747 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.931 7.654 -8.226 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.097 6.845 -9.255 1.00 0.00 H new ATOM 965 N GLU A 66 4.478 4.552 -9.476 1.00 0.00 N ATOM 966 CA GLU A 66 3.347 3.885 -10.097 1.00 0.00 C ATOM 967 C GLU A 66 2.049 4.261 -9.378 1.00 0.00 C ATOM 968 O GLU A 66 1.109 4.750 -10.002 1.00 0.00 O ATOM 969 CB GLU A 66 3.545 2.368 -10.112 1.00 0.00 C ATOM 970 CG GLU A 66 4.649 1.970 -11.094 1.00 0.00 C ATOM 971 CD GLU A 66 4.140 0.939 -12.103 1.00 0.00 C ATOM 972 OE1 GLU A 66 2.958 1.060 -12.491 1.00 0.00 O ATOM 973 OE2 GLU A 66 4.944 0.052 -12.463 1.00 0.00 O ATOM 0 H GLU A 66 5.154 3.926 -9.038 1.00 0.00 H new ATOM 0 HA GLU A 66 3.277 4.219 -11.132 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.801 2.021 -9.111 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.612 1.878 -10.390 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.007 2.854 -11.621 1.00 0.00 H new ATOM 0 HG3 GLU A 66 5.497 1.560 -10.546 1.00 0.00 H new ATOM 980 N VAL A 67 2.040 4.018 -8.076 1.00 0.00 N ATOM 981 CA VAL A 67 0.874 4.325 -7.265 1.00 0.00 C ATOM 982 C VAL A 67 0.557 5.817 -7.380 1.00 0.00 C ATOM 983 O VAL A 67 -0.563 6.241 -7.099 1.00 0.00 O ATOM 984 CB VAL A 67 1.105 3.873 -5.822 1.00 0.00 C ATOM 985 CG1 VAL A 67 -0.121 4.160 -4.954 1.00 0.00 C ATOM 986 CG2 VAL A 67 1.482 2.391 -5.766 1.00 0.00 C ATOM 0 H VAL A 67 2.822 3.612 -7.562 1.00 0.00 H new ATOM 0 HA VAL A 67 0.003 3.778 -7.627 1.00 0.00 H new ATOM 0 HB VAL A 67 1.940 4.447 -5.421 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.070 3.829 -3.933 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.326 5.231 -4.956 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -0.983 3.625 -5.353 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.641 2.095 -4.729 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.677 1.794 -6.195 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.397 2.227 -6.334 1.00 0.00 H new ATOM 996 N LYS A 68 1.563 6.573 -7.795 1.00 0.00 N ATOM 997 CA LYS A 68 1.405 8.009 -7.951 1.00 0.00 C ATOM 998 C LYS A 68 0.398 8.289 -9.068 1.00 0.00 C ATOM 999 O LYS A 68 -0.473 9.146 -8.924 1.00 0.00 O ATOM 1000 CB LYS A 68 2.764 8.678 -8.166 1.00 0.00 C ATOM 1001 CG LYS A 68 3.096 9.630 -7.015 1.00 0.00 C ATOM 1002 CD LYS A 68 4.457 9.296 -6.402 1.00 0.00 C ATOM 1003 CE LYS A 68 5.184 10.566 -5.955 1.00 0.00 C ATOM 1004 NZ LYS A 68 6.458 10.226 -5.284 1.00 0.00 N ATOM 0 H LYS A 68 2.490 6.218 -8.028 1.00 0.00 H new ATOM 0 HA LYS A 68 1.000 8.448 -7.039 1.00 0.00 H new ATOM 0 HB2 LYS A 68 3.539 7.916 -8.247 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.758 9.228 -9.107 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.099 10.658 -7.378 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.323 9.565 -6.250 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.322 8.631 -5.549 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.066 8.761 -7.130 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.379 11.203 -6.818 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.549 11.135 -5.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.172 10.949 -5.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.310 10.192 -4.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.789 9.298 -5.617 1.00 0.00 H new ATOM 1018 N GLU A 69 0.551 7.551 -10.157 1.00 0.00 N ATOM 1019 CA GLU A 69 -0.334 7.709 -11.299 1.00 0.00 C ATOM 1020 C GLU A 69 -1.738 7.206 -10.956 1.00 0.00 C ATOM 1021 O GLU A 69 -2.716 7.610 -11.583 1.00 0.00 O ATOM 1022 CB GLU A 69 0.222 6.986 -12.528 1.00 0.00 C ATOM 1023 CG GLU A 69 1.681 7.374 -12.778 1.00 0.00 C ATOM 1024 CD GLU A 69 1.811 8.236 -14.035 1.00 0.00 C ATOM 1025 OE1 GLU A 69 1.861 7.638 -15.132 1.00 0.00 O ATOM 1026 OE2 GLU A 69 1.857 9.475 -13.872 1.00 0.00 O ATOM 0 H GLU A 69 1.275 6.842 -10.273 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.398 8.770 -11.540 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.148 5.908 -12.385 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.379 7.233 -13.403 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.069 7.919 -11.917 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.287 6.474 -12.885 1.00 0.00 H new ATOM 1033 N LEU A 70 -1.792 6.332 -9.961 1.00 0.00 N ATOM 1034 CA LEU A 70 -3.060 5.771 -9.527 1.00 0.00 C ATOM 1035 C LEU A 70 -3.922 6.878 -8.919 1.00 0.00 C ATOM 1036 O LEU A 70 -5.088 7.032 -9.280 1.00 0.00 O ATOM 1037 CB LEU A 70 -2.827 4.586 -8.587 1.00 0.00 C ATOM 1038 CG LEU A 70 -2.510 3.249 -9.260 1.00 0.00 C ATOM 1039 CD1 LEU A 70 -2.360 2.135 -8.221 1.00 0.00 C ATOM 1040 CD2 LEU A 70 -3.558 2.906 -10.321 1.00 0.00 C ATOM 0 H LEU A 70 -0.978 5.999 -9.444 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.611 5.370 -10.378 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.005 4.836 -7.916 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.716 4.458 -7.969 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.553 3.343 -9.773 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.135 1.195 -8.725 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.549 2.383 -7.536 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.289 2.033 -7.661 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.308 1.951 -10.784 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.540 2.837 -9.853 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.573 3.685 -11.083 1.00 0.00 H new ATOM 1052 N CYS A 71 -3.316 7.622 -8.005 1.00 0.00 N ATOM 1053 CA CYS A 71 -4.013 8.711 -7.343 1.00 0.00 C ATOM 1054 C CYS A 71 -3.680 10.012 -8.076 1.00 0.00 C ATOM 1055 O CYS A 71 -4.167 11.079 -7.707 1.00 0.00 O ATOM 1056 CB CYS A 71 -3.661 8.787 -5.856 1.00 0.00 C ATOM 1057 SG CYS A 71 -5.078 9.456 -4.911 1.00 0.00 S ATOM 0 H CYS A 71 -2.349 7.492 -7.707 1.00 0.00 H new ATOM 0 HA CYS A 71 -5.088 8.537 -7.386 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -3.401 7.796 -5.484 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -2.786 9.421 -5.713 1.00 0.00 H new ATOM 0 HG CYS A 71 -4.769 9.514 -3.649 1.00 0.00 H new ATOM 1063 N ASP A 72 -2.851 9.880 -9.102 1.00 0.00 N ATOM 1064 CA ASP A 72 -2.446 11.031 -9.890 1.00 0.00 C ATOM 1065 C ASP A 72 -1.683 12.012 -8.997 1.00 0.00 C ATOM 1066 O ASP A 72 -2.188 13.086 -8.675 1.00 0.00 O ATOM 1067 CB ASP A 72 -3.662 11.762 -10.463 1.00 0.00 C ATOM 1068 CG ASP A 72 -3.347 13.070 -11.190 1.00 0.00 C ATOM 1069 OD1 ASP A 72 -2.142 13.332 -11.390 1.00 0.00 O ATOM 1070 OD2 ASP A 72 -4.319 13.778 -11.531 1.00 0.00 O ATOM 0 H ASP A 72 -2.449 8.993 -9.405 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.820 10.676 -10.708 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.176 11.094 -11.155 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.356 11.974 -9.650 1.00 0.00 H new ATOM 1075 N GLY A 73 -0.478 11.607 -8.623 1.00 0.00 N ATOM 1076 CA GLY A 73 0.360 12.437 -7.774 1.00 0.00 C ATOM 1077 C GLY A 73 0.152 12.095 -6.297 1.00 0.00 C ATOM 1078 O GLY A 73 0.092 12.987 -5.452 1.00 0.00 O ATOM 0 H GLY A 73 -0.062 10.715 -8.892 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.407 12.295 -8.040 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.128 13.488 -7.944 1.00 0.00 H new ATOM 1082 N LEU A 74 0.049 10.802 -6.031 1.00 0.00 N ATOM 1083 CA LEU A 74 -0.150 10.331 -4.671 1.00 0.00 C ATOM 1084 C LEU A 74 0.976 10.861 -3.782 1.00 0.00 C ATOM 1085 O LEU A 74 2.151 10.756 -4.133 1.00 0.00 O ATOM 1086 CB LEU A 74 -0.289 8.807 -4.646 1.00 0.00 C ATOM 1087 CG LEU A 74 -0.470 8.173 -3.265 1.00 0.00 C ATOM 1088 CD1 LEU A 74 -1.749 8.677 -2.594 1.00 0.00 C ATOM 1089 CD2 LEU A 74 -0.432 6.646 -3.354 1.00 0.00 C ATOM 0 H LEU A 74 0.100 10.065 -6.734 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.085 10.719 -4.267 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -1.141 8.529 -5.266 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.597 8.373 -5.110 1.00 0.00 H new ATOM 0 HG LEU A 74 0.366 8.480 -2.636 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -1.854 8.211 -1.614 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.696 9.759 -2.477 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.610 8.420 -3.212 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -0.563 6.220 -2.359 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.234 6.299 -4.005 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.528 6.329 -3.761 1.00 0.00 H new ATOM 1101 N GLU A 75 0.580 11.419 -2.648 1.00 0.00 N ATOM 1102 CA GLU A 75 1.542 11.966 -1.706 1.00 0.00 C ATOM 1103 C GLU A 75 2.321 10.837 -1.028 1.00 0.00 C ATOM 1104 O GLU A 75 2.295 10.707 0.194 1.00 0.00 O ATOM 1105 CB GLU A 75 0.851 12.854 -0.669 1.00 0.00 C ATOM 1106 CG GLU A 75 -0.230 12.077 0.085 1.00 0.00 C ATOM 1107 CD GLU A 75 -0.679 12.836 1.335 1.00 0.00 C ATOM 1108 OE1 GLU A 75 -0.718 14.083 1.259 1.00 0.00 O ATOM 1109 OE2 GLU A 75 -0.973 12.151 2.339 1.00 0.00 O ATOM 0 H GLU A 75 -0.395 11.504 -2.360 1.00 0.00 H new ATOM 0 HA GLU A 75 2.247 12.589 -2.257 1.00 0.00 H new ATOM 0 HB2 GLU A 75 1.588 13.236 0.037 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.405 13.717 -1.163 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -1.085 11.909 -0.569 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.153 11.096 0.368 1.00 0.00 H new ATOM 1116 N LEU A 76 2.997 10.050 -1.853 1.00 0.00 N ATOM 1117 CA LEU A 76 3.783 8.937 -1.348 1.00 0.00 C ATOM 1118 C LEU A 76 5.265 9.314 -1.367 1.00 0.00 C ATOM 1119 O LEU A 76 5.671 10.215 -2.100 1.00 0.00 O ATOM 1120 CB LEU A 76 3.464 7.659 -2.127 1.00 0.00 C ATOM 1121 CG LEU A 76 3.788 6.343 -1.418 1.00 0.00 C ATOM 1122 CD1 LEU A 76 2.845 6.110 -0.236 1.00 0.00 C ATOM 1123 CD2 LEU A 76 3.772 5.172 -2.403 1.00 0.00 C ATOM 0 H LEU A 76 3.016 10.161 -2.867 1.00 0.00 H new ATOM 0 HA LEU A 76 3.521 8.725 -0.311 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.403 7.664 -2.375 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.011 7.685 -3.069 1.00 0.00 H new ATOM 0 HG LEU A 76 4.798 6.412 -1.015 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.097 5.168 0.250 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.949 6.926 0.479 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.816 6.070 -0.594 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.005 4.248 -1.874 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.784 5.091 -2.856 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.515 5.342 -3.182 1.00 0.00 H new ATOM 1135 N GLU A 77 6.034 8.607 -0.553 1.00 0.00 N ATOM 1136 CA GLU A 77 7.463 8.857 -0.467 1.00 0.00 C ATOM 1137 C GLU A 77 8.218 7.545 -0.240 1.00 0.00 C ATOM 1138 O GLU A 77 7.695 6.623 0.383 1.00 0.00 O ATOM 1139 CB GLU A 77 7.777 9.868 0.637 1.00 0.00 C ATOM 1140 CG GLU A 77 6.692 9.858 1.715 1.00 0.00 C ATOM 1141 CD GLU A 77 6.991 10.891 2.804 1.00 0.00 C ATOM 1142 OE1 GLU A 77 7.200 12.065 2.430 1.00 0.00 O ATOM 1143 OE2 GLU A 77 7.005 10.482 3.985 1.00 0.00 O ATOM 0 H GLU A 77 5.695 7.860 0.053 1.00 0.00 H new ATOM 0 HA GLU A 77 7.795 9.286 -1.412 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.742 9.634 1.086 1.00 0.00 H new ATOM 0 HB3 GLU A 77 7.859 10.867 0.208 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.723 10.071 1.263 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.625 8.865 2.159 1.00 0.00 H new ATOM 1150 N ASN A 78 9.437 7.504 -0.759 1.00 0.00 N ATOM 1151 CA ASN A 78 10.269 6.321 -0.621 1.00 0.00 C ATOM 1152 C ASN A 78 10.194 5.815 0.821 1.00 0.00 C ATOM 1153 O ASN A 78 10.306 4.615 1.068 1.00 0.00 O ATOM 1154 CB ASN A 78 11.733 6.638 -0.934 1.00 0.00 C ATOM 1155 CG ASN A 78 11.879 7.219 -2.342 1.00 0.00 C ATOM 1156 OD1 ASN A 78 11.657 6.555 -3.341 1.00 0.00 O ATOM 1157 ND2 ASN A 78 12.264 8.492 -2.365 1.00 0.00 N ATOM 0 H ASN A 78 9.868 8.271 -1.275 1.00 0.00 H new ATOM 0 HA ASN A 78 9.904 5.569 -1.321 1.00 0.00 H new ATOM 0 HB2 ASN A 78 12.120 7.347 -0.202 1.00 0.00 H new ATOM 0 HB3 ASN A 78 12.332 5.731 -0.847 1.00 0.00 H new ATOM 0 HD21 ASN A 78 12.390 8.971 -3.257 1.00 0.00 H new ATOM 0 HD22 ASN A 78 12.433 8.990 -1.491 1.00 0.00 H new ATOM 1164 N GLU A 79 10.004 6.755 1.735 1.00 0.00 N ATOM 1165 CA GLU A 79 9.911 6.419 3.146 1.00 0.00 C ATOM 1166 C GLU A 79 8.719 5.492 3.394 1.00 0.00 C ATOM 1167 O GLU A 79 8.831 4.516 4.134 1.00 0.00 O ATOM 1168 CB GLU A 79 9.813 7.681 4.005 1.00 0.00 C ATOM 1169 CG GLU A 79 9.105 7.389 5.330 1.00 0.00 C ATOM 1170 CD GLU A 79 9.703 8.220 6.466 1.00 0.00 C ATOM 1171 OE1 GLU A 79 10.921 8.065 6.702 1.00 0.00 O ATOM 1172 OE2 GLU A 79 8.930 8.992 7.073 1.00 0.00 O ATOM 0 H GLU A 79 9.912 7.749 1.526 1.00 0.00 H new ATOM 0 HA GLU A 79 10.821 5.893 3.435 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.812 8.071 4.201 1.00 0.00 H new ATOM 0 HB3 GLU A 79 9.270 8.454 3.461 1.00 0.00 H new ATOM 0 HG2 GLU A 79 8.042 7.609 5.234 1.00 0.00 H new ATOM 0 HG3 GLU A 79 9.191 6.328 5.566 1.00 0.00 H new ATOM 1179 N ASP A 80 7.605 5.831 2.762 1.00 0.00 N ATOM 1180 CA ASP A 80 6.394 5.042 2.905 1.00 0.00 C ATOM 1181 C ASP A 80 6.728 3.562 2.705 1.00 0.00 C ATOM 1182 O ASP A 80 6.311 2.716 3.494 1.00 0.00 O ATOM 1183 CB ASP A 80 5.352 5.438 1.857 1.00 0.00 C ATOM 1184 CG ASP A 80 5.358 4.587 0.585 1.00 0.00 C ATOM 1185 OD1 ASP A 80 6.215 4.867 -0.281 1.00 0.00 O ATOM 1186 OD2 ASP A 80 4.506 3.676 0.508 1.00 0.00 O ATOM 0 H ASP A 80 7.516 6.642 2.150 1.00 0.00 H new ATOM 0 HA ASP A 80 5.990 5.222 3.901 1.00 0.00 H new ATOM 0 HB2 ASP A 80 4.362 5.380 2.310 1.00 0.00 H new ATOM 0 HB3 ASP A 80 5.515 6.480 1.580 1.00 0.00 H new ATOM 1191 N VAL A 81 7.476 3.296 1.644 1.00 0.00 N ATOM 1192 CA VAL A 81 7.870 1.933 1.330 1.00 0.00 C ATOM 1193 C VAL A 81 8.713 1.373 2.478 1.00 0.00 C ATOM 1194 O VAL A 81 8.427 0.293 2.992 1.00 0.00 O ATOM 1195 CB VAL A 81 8.595 1.896 -0.017 1.00 0.00 C ATOM 1196 CG1 VAL A 81 9.008 0.467 -0.378 1.00 0.00 C ATOM 1197 CG2 VAL A 81 7.734 2.513 -1.121 1.00 0.00 C ATOM 0 H VAL A 81 7.819 4.001 0.991 1.00 0.00 H new ATOM 0 HA VAL A 81 6.992 1.295 1.230 1.00 0.00 H new ATOM 0 HB VAL A 81 9.501 2.494 0.074 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.521 0.469 -1.340 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.676 0.077 0.389 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.121 -0.163 -0.441 1.00 0.00 H new ATOM 0 HG21 VAL A 81 8.273 2.474 -2.068 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.802 1.955 -1.211 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.512 3.551 -0.872 1.00 0.00 H new ATOM 1207 N TYR A 82 9.733 2.133 2.846 1.00 0.00 N ATOM 1208 CA TYR A 82 10.619 1.727 3.924 1.00 0.00 C ATOM 1209 C TYR A 82 9.831 1.448 5.205 1.00 0.00 C ATOM 1210 O TYR A 82 10.255 0.647 6.037 1.00 0.00 O ATOM 1211 CB TYR A 82 11.561 2.908 4.164 1.00 0.00 C ATOM 1212 CG TYR A 82 12.363 3.326 2.930 1.00 0.00 C ATOM 1213 CD1 TYR A 82 12.441 2.483 1.840 1.00 0.00 C ATOM 1214 CD2 TYR A 82 13.007 4.546 2.907 1.00 0.00 C ATOM 1215 CE1 TYR A 82 13.196 2.877 0.679 1.00 0.00 C ATOM 1216 CE2 TYR A 82 13.762 4.940 1.745 1.00 0.00 C ATOM 1217 CZ TYR A 82 13.819 4.085 0.689 1.00 0.00 C ATOM 1218 OH TYR A 82 14.532 4.457 -0.408 1.00 0.00 O ATOM 0 H TYR A 82 9.966 3.028 2.417 1.00 0.00 H new ATOM 0 HA TYR A 82 11.153 0.815 3.659 1.00 0.00 H new ATOM 0 HB2 TYR A 82 10.977 3.760 4.511 1.00 0.00 H new ATOM 0 HB3 TYR A 82 12.254 2.650 4.965 1.00 0.00 H new ATOM 0 HD1 TYR A 82 11.936 1.528 1.858 1.00 0.00 H new ATOM 0 HD2 TYR A 82 12.945 5.206 3.760 1.00 0.00 H new ATOM 0 HE1 TYR A 82 13.266 2.227 -0.181 1.00 0.00 H new ATOM 0 HE2 TYR A 82 14.271 5.892 1.713 1.00 0.00 H new ATOM 0 HH TYR A 82 14.921 5.344 -0.260 1.00 0.00 H new ATOM 1228 N MET A 83 8.699 2.126 5.325 1.00 0.00 N ATOM 1229 CA MET A 83 7.848 1.962 6.491 1.00 0.00 C ATOM 1230 C MET A 83 6.908 0.766 6.320 1.00 0.00 C ATOM 1231 O MET A 83 6.685 0.008 7.263 1.00 0.00 O ATOM 1232 CB MET A 83 7.024 3.233 6.705 1.00 0.00 C ATOM 1233 CG MET A 83 6.001 3.041 7.827 1.00 0.00 C ATOM 1234 SD MET A 83 6.841 2.761 9.377 1.00 0.00 S ATOM 1235 CE MET A 83 5.938 1.337 9.965 1.00 0.00 C ATOM 0 H MET A 83 8.351 2.790 4.633 1.00 0.00 H new ATOM 0 HA MET A 83 8.483 1.780 7.358 1.00 0.00 H new ATOM 0 HB2 MET A 83 7.686 4.063 6.950 1.00 0.00 H new ATOM 0 HB3 MET A 83 6.510 3.497 5.781 1.00 0.00 H new ATOM 0 HG2 MET A 83 5.363 3.922 7.903 1.00 0.00 H new ATOM 0 HG3 MET A 83 5.352 2.196 7.598 1.00 0.00 H new ATOM 0 HE1 MET A 83 5.770 1.430 11.038 1.00 0.00 H new ATOM 0 HE2 MET A 83 4.978 1.277 9.452 1.00 0.00 H new ATOM 0 HE3 MET A 83 6.513 0.433 9.765 1.00 0.00 H new ATOM 1245 N ALA A 84 6.383 0.636 5.111 1.00 0.00 N ATOM 1246 CA ALA A 84 5.472 -0.454 4.805 1.00 0.00 C ATOM 1247 C ALA A 84 6.041 -1.279 3.648 1.00 0.00 C ATOM 1248 O ALA A 84 5.816 -0.957 2.482 1.00 0.00 O ATOM 1249 CB ALA A 84 4.086 0.111 4.491 1.00 0.00 C ATOM 0 H ALA A 84 6.571 1.267 4.332 1.00 0.00 H new ATOM 0 HA ALA A 84 5.366 -1.118 5.663 1.00 0.00 H new ATOM 0 HB1 ALA A 84 3.403 -0.707 4.262 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.714 0.663 5.354 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.152 0.780 3.633 1.00 0.00 H new ATOM 1255 N SER A 85 6.768 -2.326 4.011 1.00 0.00 N ATOM 1256 CA SER A 85 7.371 -3.198 3.018 1.00 0.00 C ATOM 1257 C SER A 85 6.315 -4.146 2.444 1.00 0.00 C ATOM 1258 O SER A 85 6.112 -4.194 1.232 1.00 0.00 O ATOM 1259 CB SER A 85 8.531 -3.996 3.617 1.00 0.00 C ATOM 1260 OG SER A 85 8.113 -4.806 4.712 1.00 0.00 O ATOM 0 H SER A 85 6.953 -2.590 4.979 1.00 0.00 H new ATOM 0 HA SER A 85 7.769 -2.578 2.215 1.00 0.00 H new ATOM 0 HB2 SER A 85 8.972 -4.628 2.846 1.00 0.00 H new ATOM 0 HB3 SER A 85 9.309 -3.309 3.950 1.00 0.00 H new ATOM 0 HG SER A 85 8.495 -5.704 4.619 1.00 0.00 H new ATOM 1266 N THR A 86 5.672 -4.877 3.343 1.00 0.00 N ATOM 1267 CA THR A 86 4.643 -5.821 2.941 1.00 0.00 C ATOM 1268 C THR A 86 3.443 -5.081 2.347 1.00 0.00 C ATOM 1269 O THR A 86 3.121 -3.971 2.770 1.00 0.00 O ATOM 1270 CB THR A 86 4.286 -6.677 4.158 1.00 0.00 C ATOM 1271 OG1 THR A 86 3.722 -5.751 5.082 1.00 0.00 O ATOM 1272 CG2 THR A 86 5.524 -7.215 4.879 1.00 0.00 C ATOM 0 H THR A 86 5.844 -4.835 4.348 1.00 0.00 H new ATOM 0 HA THR A 86 5.000 -6.483 2.152 1.00 0.00 H new ATOM 0 HB THR A 86 3.658 -7.510 3.843 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.461 -6.223 5.900 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.215 -7.815 5.734 1.00 0.00 H new ATOM 0 HG22 THR A 86 6.105 -7.832 4.194 1.00 0.00 H new ATOM 0 HG23 THR A 86 6.136 -6.381 5.223 1.00 0.00 H new ATOM 1280 N PHE A 87 2.813 -5.725 1.375 1.00 0.00 N ATOM 1281 CA PHE A 87 1.656 -5.141 0.718 1.00 0.00 C ATOM 1282 C PHE A 87 0.570 -4.785 1.735 1.00 0.00 C ATOM 1283 O PHE A 87 0.096 -3.650 1.771 1.00 0.00 O ATOM 1284 CB PHE A 87 1.109 -6.197 -0.245 1.00 0.00 C ATOM 1285 CG PHE A 87 -0.027 -5.694 -1.139 1.00 0.00 C ATOM 1286 CD1 PHE A 87 0.256 -4.973 -2.257 1.00 0.00 C ATOM 1287 CD2 PHE A 87 -1.319 -5.969 -0.816 1.00 0.00 C ATOM 1288 CE1 PHE A 87 -0.798 -4.507 -3.086 1.00 0.00 C ATOM 1289 CE2 PHE A 87 -2.373 -5.503 -1.645 1.00 0.00 C ATOM 1290 CZ PHE A 87 -2.090 -4.782 -2.763 1.00 0.00 C ATOM 0 H PHE A 87 3.082 -6.645 1.027 1.00 0.00 H new ATOM 0 HA PHE A 87 1.944 -4.227 0.199 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.923 -6.555 -0.876 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.753 -7.051 0.332 1.00 0.00 H new ATOM 0 HD1 PHE A 87 1.282 -4.755 -2.514 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -1.543 -6.542 0.071 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.574 -3.934 -3.973 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -3.399 -5.721 -1.388 1.00 0.00 H new ATOM 0 HZ PHE A 87 -2.891 -4.428 -3.394 1.00 0.00 H new ATOM 1300 N GLY A 88 0.207 -5.775 2.537 1.00 0.00 N ATOM 1301 CA GLY A 88 -0.815 -5.580 3.552 1.00 0.00 C ATOM 1302 C GLY A 88 -0.632 -4.238 4.263 1.00 0.00 C ATOM 1303 O GLY A 88 -1.541 -3.411 4.279 1.00 0.00 O ATOM 0 H GLY A 88 0.602 -6.715 2.505 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.802 -5.620 3.092 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -0.769 -6.390 4.280 1.00 0.00 H new ATOM 1307 N ASP A 89 0.551 -4.064 4.835 1.00 0.00 N ATOM 1308 CA ASP A 89 0.865 -2.837 5.547 1.00 0.00 C ATOM 1309 C ASP A 89 0.732 -1.650 4.590 1.00 0.00 C ATOM 1310 O ASP A 89 -0.015 -0.711 4.861 1.00 0.00 O ATOM 1311 CB ASP A 89 2.300 -2.859 6.076 1.00 0.00 C ATOM 1312 CG ASP A 89 2.511 -2.125 7.402 1.00 0.00 C ATOM 1313 OD1 ASP A 89 1.489 -1.848 8.066 1.00 0.00 O ATOM 1314 OD2 ASP A 89 3.690 -1.858 7.722 1.00 0.00 O ATOM 0 H ASP A 89 1.303 -4.753 4.820 1.00 0.00 H new ATOM 0 HA ASP A 89 0.174 -2.746 6.385 1.00 0.00 H new ATOM 0 HB2 ASP A 89 2.610 -3.897 6.199 1.00 0.00 H new ATOM 0 HB3 ASP A 89 2.955 -2.417 5.325 1.00 0.00 H new ATOM 1319 N PHE A 90 1.468 -1.731 3.492 1.00 0.00 N ATOM 1320 CA PHE A 90 1.443 -0.675 2.494 1.00 0.00 C ATOM 1321 C PHE A 90 0.007 -0.232 2.202 1.00 0.00 C ATOM 1322 O PHE A 90 -0.336 0.934 2.390 1.00 0.00 O ATOM 1323 CB PHE A 90 2.055 -1.252 1.216 1.00 0.00 C ATOM 1324 CG PHE A 90 2.279 -0.218 0.111 1.00 0.00 C ATOM 1325 CD1 PHE A 90 3.427 0.511 0.084 1.00 0.00 C ATOM 1326 CD2 PHE A 90 1.329 -0.027 -0.844 1.00 0.00 C ATOM 1327 CE1 PHE A 90 3.634 1.471 -0.942 1.00 0.00 C ATOM 1328 CE2 PHE A 90 1.537 0.933 -1.869 1.00 0.00 C ATOM 1329 CZ PHE A 90 2.685 1.662 -1.897 1.00 0.00 C ATOM 0 H PHE A 90 2.086 -2.512 3.271 1.00 0.00 H new ATOM 0 HA PHE A 90 1.997 0.191 2.855 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.009 -1.719 1.461 1.00 0.00 H new ATOM 0 HB3 PHE A 90 1.403 -2.039 0.836 1.00 0.00 H new ATOM 0 HD1 PHE A 90 4.181 0.360 0.842 1.00 0.00 H new ATOM 0 HD2 PHE A 90 0.417 -0.605 -0.822 1.00 0.00 H new ATOM 0 HE1 PHE A 90 4.546 2.050 -0.964 1.00 0.00 H new ATOM 0 HE2 PHE A 90 0.783 1.085 -2.627 1.00 0.00 H new ATOM 0 HZ PHE A 90 2.843 2.392 -2.677 1.00 0.00 H new ATOM 1339 N ILE A 91 -0.791 -1.186 1.746 1.00 0.00 N ATOM 1340 CA ILE A 91 -2.181 -0.909 1.426 1.00 0.00 C ATOM 1341 C ILE A 91 -2.765 0.032 2.482 1.00 0.00 C ATOM 1342 O ILE A 91 -3.216 1.130 2.160 1.00 0.00 O ATOM 1343 CB ILE A 91 -2.964 -2.213 1.264 1.00 0.00 C ATOM 1344 CG1 ILE A 91 -2.507 -2.976 0.019 1.00 0.00 C ATOM 1345 CG2 ILE A 91 -4.472 -1.950 1.254 1.00 0.00 C ATOM 1346 CD1 ILE A 91 -2.806 -2.179 -1.252 1.00 0.00 C ATOM 0 H ILE A 91 -0.502 -2.152 1.590 1.00 0.00 H new ATOM 0 HA ILE A 91 -2.256 -0.398 0.466 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.754 -2.847 2.125 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.438 -3.177 0.083 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.011 -3.941 -0.026 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -5.005 -2.894 1.138 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.766 -1.481 2.193 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -4.720 -1.288 0.424 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.471 -2.743 -2.122 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.879 -2.000 -1.326 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.281 -1.224 -1.215 1.00 0.00 H new ATOM 1358 N GLN A 92 -2.739 -0.433 3.723 1.00 0.00 N ATOM 1359 CA GLN A 92 -3.260 0.353 4.828 1.00 0.00 C ATOM 1360 C GLN A 92 -2.744 1.791 4.746 1.00 0.00 C ATOM 1361 O GLN A 92 -3.505 2.739 4.937 1.00 0.00 O ATOM 1362 CB GLN A 92 -2.898 -0.283 6.172 1.00 0.00 C ATOM 1363 CG GLN A 92 -3.965 -1.290 6.607 1.00 0.00 C ATOM 1364 CD GLN A 92 -4.503 -2.071 5.406 1.00 0.00 C ATOM 1365 OE1 GLN A 92 -3.763 -2.557 4.566 1.00 0.00 O ATOM 1366 NE2 GLN A 92 -5.830 -2.165 5.372 1.00 0.00 N ATOM 0 H GLN A 92 -2.365 -1.344 3.987 1.00 0.00 H new ATOM 0 HA GLN A 92 -4.347 0.373 4.753 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -1.932 -0.782 6.094 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -2.795 0.494 6.930 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -3.542 -1.982 7.335 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -4.784 -0.767 7.102 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -6.391 -1.735 6.107 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -6.286 -2.667 4.611 1.00 0.00 H new ATOM 1375 N LEU A 93 -1.456 1.909 4.462 1.00 0.00 N ATOM 1376 CA LEU A 93 -0.830 3.216 4.352 1.00 0.00 C ATOM 1377 C LEU A 93 -1.376 3.936 3.118 1.00 0.00 C ATOM 1378 O LEU A 93 -1.729 5.112 3.187 1.00 0.00 O ATOM 1379 CB LEU A 93 0.694 3.082 4.362 1.00 0.00 C ATOM 1380 CG LEU A 93 1.462 4.102 3.518 1.00 0.00 C ATOM 1381 CD1 LEU A 93 2.722 4.577 4.244 1.00 0.00 C ATOM 1382 CD2 LEU A 93 1.778 3.539 2.131 1.00 0.00 C ATOM 0 H LEU A 93 -0.828 1.121 4.305 1.00 0.00 H new ATOM 0 HA LEU A 93 -1.079 3.832 5.216 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.039 3.160 5.393 1.00 0.00 H new ATOM 0 HB3 LEU A 93 0.953 2.082 4.013 1.00 0.00 H new ATOM 0 HG LEU A 93 0.825 4.975 3.374 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.249 5.301 3.622 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.443 5.044 5.188 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.373 3.725 4.439 1.00 0.00 H new ATOM 0 HD21 LEU A 93 2.324 4.284 1.552 1.00 0.00 H new ATOM 0 HD22 LEU A 93 2.387 2.641 2.233 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.848 3.291 1.619 1.00 0.00 H new ATOM 1394 N LEU A 94 -1.430 3.200 2.017 1.00 0.00 N ATOM 1395 CA LEU A 94 -1.927 3.754 0.770 1.00 0.00 C ATOM 1396 C LEU A 94 -3.371 4.220 0.964 1.00 0.00 C ATOM 1397 O LEU A 94 -3.680 5.395 0.768 1.00 0.00 O ATOM 1398 CB LEU A 94 -1.754 2.748 -0.370 1.00 0.00 C ATOM 1399 CG LEU A 94 -2.706 2.908 -1.557 1.00 0.00 C ATOM 1400 CD1 LEU A 94 -2.248 4.039 -2.479 1.00 0.00 C ATOM 1401 CD2 LEU A 94 -2.872 1.586 -2.309 1.00 0.00 C ATOM 0 H LEU A 94 -1.137 2.224 1.963 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.344 4.629 0.483 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -0.731 2.819 -0.739 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.877 1.744 0.036 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.688 3.185 -1.172 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.942 4.131 -3.314 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.224 4.976 -1.922 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -1.251 3.817 -2.859 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.554 1.728 -3.148 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -1.902 1.255 -2.681 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.278 0.832 -1.635 1.00 0.00 H new ATOM 1413 N VAL A 95 -4.218 3.276 1.346 1.00 0.00 N ATOM 1414 CA VAL A 95 -5.622 3.575 1.569 1.00 0.00 C ATOM 1415 C VAL A 95 -5.741 4.852 2.404 1.00 0.00 C ATOM 1416 O VAL A 95 -6.590 5.699 2.132 1.00 0.00 O ATOM 1417 CB VAL A 95 -6.318 2.373 2.211 1.00 0.00 C ATOM 1418 CG1 VAL A 95 -7.763 2.712 2.585 1.00 0.00 C ATOM 1419 CG2 VAL A 95 -6.262 1.152 1.292 1.00 0.00 C ATOM 0 H VAL A 95 -3.959 2.303 1.507 1.00 0.00 H new ATOM 0 HA VAL A 95 -6.129 3.758 0.621 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.783 2.127 3.128 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -8.235 1.841 3.039 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -7.771 3.540 3.294 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.314 2.997 1.688 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.764 0.312 1.772 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.760 1.382 0.350 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -5.222 0.890 1.098 1.00 0.00 H new ATOM 1429 N ARG A 96 -4.877 4.949 3.404 1.00 0.00 N ATOM 1430 CA ARG A 96 -4.875 6.107 4.281 1.00 0.00 C ATOM 1431 C ARG A 96 -4.620 7.382 3.474 1.00 0.00 C ATOM 1432 O ARG A 96 -5.321 8.379 3.643 1.00 0.00 O ATOM 1433 CB ARG A 96 -3.803 5.975 5.365 1.00 0.00 C ATOM 1434 CG ARG A 96 -4.354 5.249 6.594 1.00 0.00 C ATOM 1435 CD ARG A 96 -3.876 5.917 7.885 1.00 0.00 C ATOM 1436 NE ARG A 96 -4.757 5.531 9.010 1.00 0.00 N ATOM 1437 CZ ARG A 96 -4.405 5.611 10.301 1.00 0.00 C ATOM 1438 NH1 ARG A 96 -3.190 6.064 10.637 1.00 0.00 N ATOM 1439 NH2 ARG A 96 -5.269 5.239 11.255 1.00 0.00 N ATOM 0 H ARG A 96 -4.174 4.244 3.626 1.00 0.00 H new ATOM 0 HA ARG A 96 -5.853 6.164 4.759 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -2.946 5.430 4.970 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -3.447 6.964 5.652 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -5.444 5.248 6.562 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -4.034 4.207 6.579 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -2.849 5.621 8.099 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -3.878 7.000 7.766 1.00 0.00 H new ATOM 0 HE ARG A 96 -5.690 5.182 8.789 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -2.533 6.348 9.911 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -2.922 6.125 11.619 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -6.194 4.895 10.999 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -5.001 5.300 12.237 1.00 0.00 H new ATOM 1453 N LYS A 97 -3.614 7.310 2.615 1.00 0.00 N ATOM 1454 CA LYS A 97 -3.257 8.446 1.782 1.00 0.00 C ATOM 1455 C LYS A 97 -4.376 8.702 0.770 1.00 0.00 C ATOM 1456 O LYS A 97 -4.672 9.850 0.443 1.00 0.00 O ATOM 1457 CB LYS A 97 -1.885 8.230 1.141 1.00 0.00 C ATOM 1458 CG LYS A 97 -0.787 8.167 2.204 1.00 0.00 C ATOM 1459 CD LYS A 97 0.255 7.102 1.853 1.00 0.00 C ATOM 1460 CE LYS A 97 1.542 7.309 2.654 1.00 0.00 C ATOM 1461 NZ LYS A 97 1.239 7.437 4.097 1.00 0.00 N ATOM 0 H LYS A 97 -3.034 6.482 2.478 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.162 9.348 2.387 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.891 7.305 0.564 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.674 9.040 0.443 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -0.303 9.140 2.290 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -1.228 7.943 3.175 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -0.150 6.111 2.058 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.476 7.142 0.786 1.00 0.00 H new ATOM 0 HE2 LYS A 97 2.218 6.469 2.491 1.00 0.00 H new ATOM 0 HE3 LYS A 97 2.056 8.204 2.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 2.066 7.140 4.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 1.011 8.427 4.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 0.427 6.833 4.336 1.00 0.00 H new ATOM 1475 N LEU A 98 -4.968 7.612 0.303 1.00 0.00 N ATOM 1476 CA LEU A 98 -6.048 7.704 -0.666 1.00 0.00 C ATOM 1477 C LEU A 98 -7.270 8.340 -0.001 1.00 0.00 C ATOM 1478 O LEU A 98 -7.849 9.286 -0.533 1.00 0.00 O ATOM 1479 CB LEU A 98 -6.328 6.335 -1.287 1.00 0.00 C ATOM 1480 CG LEU A 98 -5.170 5.697 -2.057 1.00 0.00 C ATOM 1481 CD1 LEU A 98 -5.667 4.562 -2.955 1.00 0.00 C ATOM 1482 CD2 LEU A 98 -4.390 6.752 -2.845 1.00 0.00 C ATOM 0 H LEU A 98 -4.721 6.661 0.577 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.763 8.351 -1.495 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.629 5.653 -0.492 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.178 6.432 -1.963 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.481 5.258 -1.336 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.824 4.126 -3.491 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.143 3.796 -2.343 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.388 4.954 -3.672 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.572 6.273 -3.384 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.056 7.241 -3.556 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.986 7.495 -2.157 1.00 0.00 H new ATOM 1494 N ARG A 99 -7.627 7.794 1.153 1.00 0.00 N ATOM 1495 CA ARG A 99 -8.771 8.297 1.896 1.00 0.00 C ATOM 1496 C ARG A 99 -8.605 9.791 2.180 1.00 0.00 C ATOM 1497 O ARG A 99 -9.532 10.572 1.974 1.00 0.00 O ATOM 1498 CB ARG A 99 -8.939 7.549 3.220 1.00 0.00 C ATOM 1499 CG ARG A 99 -9.554 6.166 2.994 1.00 0.00 C ATOM 1500 CD ARG A 99 -9.854 5.475 4.326 1.00 0.00 C ATOM 1501 NE ARG A 99 -10.110 4.035 4.103 1.00 0.00 N ATOM 1502 CZ ARG A 99 -10.522 3.189 5.057 1.00 0.00 C ATOM 1503 NH1 ARG A 99 -10.726 3.633 6.304 1.00 0.00 N ATOM 1504 NH2 ARG A 99 -10.729 1.898 4.763 1.00 0.00 N ATOM 0 H ARG A 99 -7.145 7.009 1.591 1.00 0.00 H new ATOM 0 HA ARG A 99 -9.659 8.137 1.285 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -7.970 7.445 3.708 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.574 8.128 3.891 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.473 6.263 2.415 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -8.871 5.552 2.407 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -9.013 5.602 5.008 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -10.721 5.938 4.798 1.00 0.00 H new ATOM 0 HE ARG A 99 -9.964 3.663 3.165 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -10.568 4.615 6.528 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -11.040 2.989 7.030 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -10.573 1.560 3.813 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -11.043 1.254 5.489 1.00 0.00 H new