USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 532 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 54 GLN : amide:sc= -1.72 K(o=-1.7,f=-1.2) USER MOD Set 1.2: A 57 LYS NZ :NH3+ -166:sc= 0 (180deg=0) USER MOD Set 2.1: A 33 TYR OH : rot 106:sc= 0.417 USER MOD Set 2.2: A 37 ASN : amide:sc= -0.783 K(o=-0.37,f=-0.88) USER MOD Set 2.3: A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= -0.0458 (180deg=-0.0458) USER MOD Single : A 25 MET CE :methyl 147:sc= -0.565 (180deg=-2.25!) USER MOD Single : A 27 THR OG1 : rot -75:sc= 1.26 USER MOD Single : A 34 THR OG1 : rot -77:sc= 0.204 USER MOD Single : A 35 ASN : amide:sc= -4.88! C(o=-4.9!,f=-5.2!) USER MOD Single : A 40 ASN : amide:sc= 0.431 K(o=0.43,f=-0.41) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0584 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0191) USER MOD Single : A 61 LYS NZ :NH3+ 155:sc= -0.104 (180deg=-0.574) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0.0208 USER MOD Single : A 65 GLN : amide:sc= -0.448 X(o=-0.45,f=-0.41) USER MOD Single : A 72 GLN : amide:sc= 1.02 K(o=1,f=-0.17) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -1.56 K(o=-1.6,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 197 N TRP A 16 0.086 -6.231 -1.877 1.00 0.00 N ATOM 198 CA TRP A 16 -0.782 -5.448 -1.005 1.00 0.00 C ATOM 199 C TRP A 16 -0.634 -5.887 0.448 1.00 0.00 C ATOM 200 O TRP A 16 -0.253 -5.095 1.309 1.00 0.00 O ATOM 201 CB TRP A 16 -2.240 -5.584 -1.446 1.00 0.00 C ATOM 202 CG TRP A 16 -2.588 -4.721 -2.620 1.00 0.00 C ATOM 203 CD1 TRP A 16 -1.754 -4.336 -3.631 1.00 0.00 C ATOM 204 CD2 TRP A 16 -3.863 -4.134 -2.904 1.00 0.00 C ATOM 205 NE1 TRP A 16 -2.434 -3.545 -4.526 1.00 0.00 N ATOM 206 CE2 TRP A 16 -3.729 -3.407 -4.103 1.00 0.00 C ATOM 207 CE3 TRP A 16 -5.105 -4.153 -2.263 1.00 0.00 C ATOM 208 CZ2 TRP A 16 -4.790 -2.706 -4.670 1.00 0.00 C ATOM 209 CZ3 TRP A 16 -6.157 -3.457 -2.828 1.00 0.00 C ATOM 210 CH2 TRP A 16 -5.995 -2.742 -4.022 1.00 0.00 C ATOM 0 HA TRP A 16 -0.483 -4.403 -1.081 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -2.440 -6.625 -1.698 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -2.890 -5.327 -0.610 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -0.713 -4.612 -3.715 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -2.038 -3.128 -5.369 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -5.240 -4.702 -1.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -4.666 -2.153 -5.589 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -7.121 -3.464 -2.341 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -6.837 -2.209 -4.439 1.00 0.00 H new ATOM 221 N GLU A 17 -0.936 -7.155 0.712 1.00 0.00 N ATOM 222 CA GLU A 17 -0.837 -7.698 2.061 1.00 0.00 C ATOM 223 C GLU A 17 0.480 -7.291 2.716 1.00 0.00 C ATOM 224 O GLU A 17 0.529 -7.003 3.912 1.00 0.00 O ATOM 225 CB GLU A 17 -0.953 -9.223 2.031 1.00 0.00 C ATOM 226 CG GLU A 17 -1.318 -9.833 3.374 1.00 0.00 C ATOM 227 CD GLU A 17 -0.831 -11.262 3.517 1.00 0.00 C ATOM 228 OE1 GLU A 17 -1.106 -12.075 2.610 1.00 0.00 O ATOM 229 OE2 GLU A 17 -0.176 -11.567 4.536 1.00 0.00 O ATOM 0 H GLU A 17 -1.251 -7.824 0.010 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.658 -7.290 2.650 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.706 -9.507 1.296 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.005 -9.644 1.696 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.891 -9.226 4.173 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.401 -9.808 3.498 1.00 0.00 H new ATOM 236 N LYS A 18 1.546 -7.269 1.924 1.00 0.00 N ATOM 237 CA LYS A 18 2.864 -6.897 2.424 1.00 0.00 C ATOM 238 C LYS A 18 2.925 -5.406 2.741 1.00 0.00 C ATOM 239 O LYS A 18 3.472 -5.002 3.766 1.00 0.00 O ATOM 240 CB LYS A 18 3.941 -7.255 1.397 1.00 0.00 C ATOM 241 CG LYS A 18 4.533 -8.639 1.594 1.00 0.00 C ATOM 242 CD LYS A 18 3.762 -9.691 0.815 1.00 0.00 C ATOM 243 CE LYS A 18 2.643 -10.295 1.649 1.00 0.00 C ATOM 244 NZ LYS A 18 1.878 -11.323 0.890 1.00 0.00 N ATOM 0 H LYS A 18 1.523 -7.505 0.932 1.00 0.00 H new ATOM 0 HA LYS A 18 3.047 -7.454 3.343 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.513 -7.191 0.397 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.741 -6.516 1.449 1.00 0.00 H new ATOM 0 HG2 LYS A 18 5.575 -8.639 1.274 1.00 0.00 H new ATOM 0 HG3 LYS A 18 4.525 -8.892 2.654 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.344 -9.243 -0.087 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.443 -10.479 0.494 1.00 0.00 H new ATOM 0 HE2 LYS A 18 3.063 -10.745 2.548 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.966 -9.505 1.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.125 -11.710 1.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.456 -10.888 0.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.519 -12.090 0.601 1.00 0.00 H new ATOM 258 N GLU A 19 2.358 -4.593 1.854 1.00 0.00 N ATOM 259 CA GLU A 19 2.348 -3.147 2.041 1.00 0.00 C ATOM 260 C GLU A 19 1.415 -2.753 3.183 1.00 0.00 C ATOM 261 O GLU A 19 1.522 -1.659 3.735 1.00 0.00 O ATOM 262 CB GLU A 19 1.917 -2.446 0.751 1.00 0.00 C ATOM 263 CG GLU A 19 2.778 -2.801 -0.450 1.00 0.00 C ATOM 264 CD GLU A 19 4.203 -3.146 -0.065 1.00 0.00 C ATOM 265 OE1 GLU A 19 4.419 -4.248 0.481 1.00 0.00 O ATOM 266 OE2 GLU A 19 5.102 -2.315 -0.310 1.00 0.00 O ATOM 0 H GLU A 19 1.900 -4.911 1.000 1.00 0.00 H new ATOM 0 HA GLU A 19 3.360 -2.832 2.296 1.00 0.00 H new ATOM 0 HB2 GLU A 19 0.881 -2.706 0.535 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.949 -1.367 0.905 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.333 -3.646 -0.974 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.787 -1.963 -1.147 1.00 0.00 H new ATOM 273 N GLU A 20 0.500 -3.653 3.530 1.00 0.00 N ATOM 274 CA GLU A 20 -0.453 -3.399 4.604 1.00 0.00 C ATOM 275 C GLU A 20 0.260 -3.293 5.949 1.00 0.00 C ATOM 276 O GLU A 20 -0.270 -2.721 6.901 1.00 0.00 O ATOM 277 CB GLU A 20 -1.504 -4.509 4.657 1.00 0.00 C ATOM 278 CG GLU A 20 -2.728 -4.229 3.801 1.00 0.00 C ATOM 279 CD GLU A 20 -3.713 -3.297 4.480 1.00 0.00 C ATOM 280 OE1 GLU A 20 -4.257 -3.677 5.538 1.00 0.00 O ATOM 281 OE2 GLU A 20 -3.940 -2.187 3.953 1.00 0.00 O ATOM 0 H GLU A 20 0.399 -4.564 3.083 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.949 -2.450 4.399 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.049 -5.444 4.331 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.819 -4.651 5.691 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.412 -3.791 2.854 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.226 -5.170 3.567 1.00 0.00 H new ATOM 288 N ALA A 21 1.464 -3.851 6.019 1.00 0.00 N ATOM 289 CA ALA A 21 2.251 -3.819 7.246 1.00 0.00 C ATOM 290 C ALA A 21 3.086 -2.546 7.330 1.00 0.00 C ATOM 291 O ALA A 21 3.345 -2.032 8.419 1.00 0.00 O ATOM 292 CB ALA A 21 3.145 -5.047 7.332 1.00 0.00 C ATOM 0 H ALA A 21 1.916 -4.331 5.240 1.00 0.00 H new ATOM 0 HA ALA A 21 1.562 -3.826 8.091 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.727 -5.010 8.253 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.529 -5.946 7.328 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.820 -5.066 6.477 1.00 0.00 H new ATOM 298 N LEU A 22 3.507 -2.043 6.174 1.00 0.00 N ATOM 299 CA LEU A 22 4.315 -0.830 6.117 1.00 0.00 C ATOM 300 C LEU A 22 3.509 0.383 6.571 1.00 0.00 C ATOM 301 O LEU A 22 4.072 1.405 6.960 1.00 0.00 O ATOM 302 CB LEU A 22 4.836 -0.608 4.696 1.00 0.00 C ATOM 303 CG LEU A 22 5.742 -1.704 4.134 1.00 0.00 C ATOM 304 CD1 LEU A 22 5.956 -1.507 2.641 1.00 0.00 C ATOM 305 CD2 LEU A 22 7.075 -1.721 4.868 1.00 0.00 C ATOM 0 H LEU A 22 3.302 -2.456 5.264 1.00 0.00 H new ATOM 0 HA LEU A 22 5.161 -0.954 6.793 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.980 -0.495 4.030 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.383 0.334 4.674 1.00 0.00 H new ATOM 0 HG LEU A 22 5.253 -2.666 4.286 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.603 -2.296 2.259 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.995 -1.545 2.128 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.423 -0.538 2.465 1.00 0.00 H new ATOM 0 HD21 LEU A 22 7.708 -2.507 4.455 1.00 0.00 H new ATOM 0 HD22 LEU A 22 7.569 -0.757 4.748 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.904 -1.911 5.928 1.00 0.00 H new ATOM 317 N GLY A 23 2.186 0.261 6.520 1.00 0.00 N ATOM 318 CA GLY A 23 1.324 1.354 6.931 1.00 0.00 C ATOM 319 C GLY A 23 1.521 2.597 6.086 1.00 0.00 C ATOM 320 O GLY A 23 1.353 2.560 4.868 1.00 0.00 O ATOM 0 H GLY A 23 1.696 -0.575 6.202 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.283 1.036 6.867 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.520 1.594 7.976 1.00 0.00 H new ATOM 324 N GLU A 24 1.878 3.701 6.735 1.00 0.00 N ATOM 325 CA GLU A 24 2.096 4.961 6.035 1.00 0.00 C ATOM 326 C GLU A 24 3.226 4.830 5.018 1.00 0.00 C ATOM 327 O GLU A 24 3.431 5.713 4.185 1.00 0.00 O ATOM 328 CB GLU A 24 2.420 6.075 7.033 1.00 0.00 C ATOM 329 CG GLU A 24 1.339 6.289 8.079 1.00 0.00 C ATOM 330 CD GLU A 24 1.884 6.863 9.372 1.00 0.00 C ATOM 331 OE1 GLU A 24 2.392 6.080 10.202 1.00 0.00 O ATOM 332 OE2 GLU A 24 1.803 8.096 9.554 1.00 0.00 O ATOM 0 H GLU A 24 2.022 3.748 7.744 1.00 0.00 H new ATOM 0 HA GLU A 24 1.179 5.215 5.503 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.358 5.840 7.535 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.575 7.006 6.488 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.580 6.961 7.679 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.846 5.339 8.287 1.00 0.00 H new ATOM 339 N MET A 25 3.956 3.722 5.092 1.00 0.00 N ATOM 340 CA MET A 25 5.065 3.475 4.178 1.00 0.00 C ATOM 341 C MET A 25 4.593 2.706 2.948 1.00 0.00 C ATOM 342 O MET A 25 5.284 2.661 1.930 1.00 0.00 O ATOM 343 CB MET A 25 6.174 2.696 4.886 1.00 0.00 C ATOM 344 CG MET A 25 7.211 3.585 5.553 1.00 0.00 C ATOM 345 SD MET A 25 8.850 2.833 5.591 1.00 0.00 S ATOM 346 CE MET A 25 9.058 2.386 3.870 1.00 0.00 C ATOM 0 H MET A 25 3.800 2.981 5.775 1.00 0.00 H new ATOM 0 HA MET A 25 5.458 4.439 3.854 1.00 0.00 H new ATOM 0 HB2 MET A 25 5.727 2.046 5.638 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.672 2.051 4.163 1.00 0.00 H new ATOM 0 HG2 MET A 25 7.264 4.536 5.023 1.00 0.00 H new ATOM 0 HG3 MET A 25 6.893 3.806 6.572 1.00 0.00 H new ATOM 0 HE1 MET A 25 10.110 2.470 3.597 1.00 0.00 H new ATOM 0 HE2 MET A 25 8.724 1.360 3.718 1.00 0.00 H new ATOM 0 HE3 MET A 25 8.466 3.056 3.246 1.00 0.00 H new ATOM 356 N ALA A 26 3.414 2.102 3.049 1.00 0.00 N ATOM 357 CA ALA A 26 2.850 1.336 1.944 1.00 0.00 C ATOM 358 C ALA A 26 3.235 1.947 0.601 1.00 0.00 C ATOM 359 O ALA A 26 2.937 3.110 0.327 1.00 0.00 O ATOM 360 CB ALA A 26 1.337 1.256 2.075 1.00 0.00 C ATOM 0 H ALA A 26 2.830 2.128 3.885 1.00 0.00 H new ATOM 0 HA ALA A 26 3.261 0.327 1.986 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.930 0.681 1.243 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.078 0.768 3.015 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.917 2.262 2.061 1.00 0.00 H new ATOM 366 N THR A 27 3.900 1.156 -0.236 1.00 0.00 N ATOM 367 CA THR A 27 4.327 1.619 -1.550 1.00 0.00 C ATOM 368 C THR A 27 3.165 1.621 -2.537 1.00 0.00 C ATOM 369 O THR A 27 3.355 1.827 -3.735 1.00 0.00 O ATOM 370 CB THR A 27 5.462 0.743 -2.113 1.00 0.00 C ATOM 371 OG1 THR A 27 4.999 -0.599 -2.299 1.00 0.00 O ATOM 372 CG2 THR A 27 6.662 0.746 -1.178 1.00 0.00 C ATOM 0 H THR A 27 4.154 0.191 -0.026 1.00 0.00 H new ATOM 0 HA THR A 27 4.693 2.638 -1.422 1.00 0.00 H new ATOM 0 HB THR A 27 5.769 1.157 -3.073 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.928 -1.044 -1.429 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.451 0.121 -1.596 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.030 1.765 -1.062 1.00 0.00 H new ATOM 0 HG23 THR A 27 6.366 0.354 -0.205 1.00 0.00 H new ATOM 380 N VAL A 28 1.959 1.392 -2.025 1.00 0.00 N ATOM 381 CA VAL A 28 0.765 1.369 -2.861 1.00 0.00 C ATOM 382 C VAL A 28 -0.127 2.572 -2.579 1.00 0.00 C ATOM 383 O VAL A 28 -0.057 3.171 -1.506 1.00 0.00 O ATOM 384 CB VAL A 28 -0.047 0.079 -2.644 1.00 0.00 C ATOM 385 CG1 VAL A 28 -0.833 -0.275 -3.898 1.00 0.00 C ATOM 386 CG2 VAL A 28 0.869 -1.066 -2.239 1.00 0.00 C ATOM 0 H VAL A 28 1.784 1.220 -1.035 1.00 0.00 H new ATOM 0 HA VAL A 28 1.103 1.407 -3.897 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.757 0.250 -1.835 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.401 -1.189 -3.726 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.518 0.537 -4.139 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.144 -0.427 -4.729 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.278 -1.970 -2.090 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.604 -1.239 -3.025 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.382 -0.811 -1.312 1.00 0.00 H new ATOM 396 N ALA A 29 -0.966 2.921 -3.548 1.00 0.00 N ATOM 397 CA ALA A 29 -1.874 4.052 -3.403 1.00 0.00 C ATOM 398 C ALA A 29 -3.007 3.724 -2.436 1.00 0.00 C ATOM 399 O ALA A 29 -3.197 4.388 -1.417 1.00 0.00 O ATOM 400 CB ALA A 29 -2.434 4.456 -4.758 1.00 0.00 C ATOM 0 H ALA A 29 -1.036 2.436 -4.443 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.310 4.889 -2.991 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.110 5.302 -4.635 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.616 4.739 -5.420 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.978 3.617 -5.192 1.00 0.00 H new ATOM 406 N PRO A 30 -3.780 2.678 -2.762 1.00 0.00 N ATOM 407 CA PRO A 30 -4.908 2.239 -1.935 1.00 0.00 C ATOM 408 C PRO A 30 -4.455 1.620 -0.617 1.00 0.00 C ATOM 409 O PRO A 30 -4.929 1.999 0.454 1.00 0.00 O ATOM 410 CB PRO A 30 -5.601 1.190 -2.808 1.00 0.00 C ATOM 411 CG PRO A 30 -4.530 0.678 -3.707 1.00 0.00 C ATOM 412 CD PRO A 30 -3.612 1.841 -3.962 1.00 0.00 C ATOM 0 HA PRO A 30 -5.553 3.071 -1.651 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -6.026 0.389 -2.203 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -6.420 1.628 -3.378 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.993 -0.149 -3.242 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.950 0.301 -4.639 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.578 1.518 -4.085 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.888 2.379 -4.869 1.00 0.00 H new ATOM 420 N VAL A 31 -3.534 0.665 -0.703 1.00 0.00 N ATOM 421 CA VAL A 31 -3.015 -0.005 0.483 1.00 0.00 C ATOM 422 C VAL A 31 -2.388 0.994 1.450 1.00 0.00 C ATOM 423 O VAL A 31 -2.122 0.670 2.608 1.00 0.00 O ATOM 424 CB VAL A 31 -1.966 -1.071 0.112 1.00 0.00 C ATOM 425 CG1 VAL A 31 -1.783 -2.060 1.253 1.00 0.00 C ATOM 426 CG2 VAL A 31 -2.367 -1.789 -1.168 1.00 0.00 C ATOM 0 H VAL A 31 -3.132 0.338 -1.582 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.862 -0.492 0.967 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.012 -0.573 -0.061 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.039 -2.805 0.973 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.448 -1.529 2.144 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.732 -2.555 1.461 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.615 -2.538 -1.416 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.332 -2.276 -1.025 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.442 -1.068 -1.982 1.00 0.00 H new ATOM 436 N LEU A 32 -2.156 2.209 0.967 1.00 0.00 N ATOM 437 CA LEU A 32 -1.560 3.258 1.788 1.00 0.00 C ATOM 438 C LEU A 32 -2.639 4.127 2.427 1.00 0.00 C ATOM 439 O LEU A 32 -2.616 4.376 3.633 1.00 0.00 O ATOM 440 CB LEU A 32 -0.624 4.124 0.944 1.00 0.00 C ATOM 441 CG LEU A 32 -0.175 5.441 1.578 1.00 0.00 C ATOM 442 CD1 LEU A 32 0.464 5.190 2.935 1.00 0.00 C ATOM 443 CD2 LEU A 32 0.791 6.174 0.658 1.00 0.00 C ATOM 0 H LEU A 32 -2.371 2.493 0.011 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.985 2.782 2.582 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.263 3.538 0.705 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.122 4.349 0.001 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.053 6.070 1.724 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.777 6.139 3.371 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.259 4.709 3.594 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.332 4.542 2.814 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.100 7.109 1.125 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.667 5.551 0.479 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.299 6.388 -0.291 1.00 0.00 H new ATOM 455 N TYR A 33 -3.583 4.584 1.612 1.00 0.00 N ATOM 456 CA TYR A 33 -4.670 5.426 2.097 1.00 0.00 C ATOM 457 C TYR A 33 -5.354 4.790 3.303 1.00 0.00 C ATOM 458 O TYR A 33 -5.476 5.408 4.361 1.00 0.00 O ATOM 459 CB TYR A 33 -5.692 5.666 0.985 1.00 0.00 C ATOM 460 CG TYR A 33 -7.029 6.161 1.488 1.00 0.00 C ATOM 461 CD1 TYR A 33 -7.987 5.273 1.963 1.00 0.00 C ATOM 462 CD2 TYR A 33 -7.335 7.516 1.489 1.00 0.00 C ATOM 463 CE1 TYR A 33 -9.210 5.721 2.422 1.00 0.00 C ATOM 464 CE2 TYR A 33 -8.555 7.973 1.948 1.00 0.00 C ATOM 465 CZ TYR A 33 -9.489 7.071 2.413 1.00 0.00 C ATOM 466 OH TYR A 33 -10.706 7.521 2.872 1.00 0.00 O ATOM 0 H TYR A 33 -3.617 4.385 0.612 1.00 0.00 H new ATOM 0 HA TYR A 33 -4.246 6.382 2.404 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -5.286 6.393 0.281 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -5.842 4.738 0.434 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -7.771 4.215 1.973 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -6.606 8.225 1.124 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -9.944 5.017 2.786 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -8.776 9.030 1.943 1.00 0.00 H new ATOM 0 HH TYR A 33 -10.590 7.940 3.750 1.00 0.00 H new ATOM 476 N THR A 34 -5.800 3.548 3.136 1.00 0.00 N ATOM 477 CA THR A 34 -6.472 2.827 4.209 1.00 0.00 C ATOM 478 C THR A 34 -5.583 2.722 5.443 1.00 0.00 C ATOM 479 O THR A 34 -6.040 2.921 6.567 1.00 0.00 O ATOM 480 CB THR A 34 -6.882 1.411 3.763 1.00 0.00 C ATOM 481 OG1 THR A 34 -5.770 0.749 3.152 1.00 0.00 O ATOM 482 CG2 THR A 34 -8.046 1.467 2.784 1.00 0.00 C ATOM 0 H THR A 34 -5.707 3.021 2.267 1.00 0.00 H new ATOM 0 HA THR A 34 -7.368 3.395 4.458 1.00 0.00 H new ATOM 0 HB THR A 34 -7.197 0.853 4.645 1.00 0.00 H new ATOM 0 HG1 THR A 34 -5.644 1.093 2.243 1.00 0.00 H new ATOM 0 HG21 THR A 34 -8.318 0.455 2.483 1.00 0.00 H new ATOM 0 HG22 THR A 34 -8.901 1.945 3.262 1.00 0.00 H new ATOM 0 HG23 THR A 34 -7.754 2.041 1.904 1.00 0.00 H new ATOM 490 N ASN A 35 -4.310 2.408 5.224 1.00 0.00 N ATOM 491 CA ASN A 35 -3.356 2.277 6.319 1.00 0.00 C ATOM 492 C ASN A 35 -3.378 3.514 7.211 1.00 0.00 C ATOM 493 O ASN A 35 -3.121 3.430 8.413 1.00 0.00 O ATOM 494 CB ASN A 35 -1.946 2.055 5.770 1.00 0.00 C ATOM 495 CG ASN A 35 -1.628 0.585 5.570 1.00 0.00 C ATOM 496 OD1 ASN A 35 -2.347 -0.288 6.054 1.00 0.00 O ATOM 497 ND2 ASN A 35 -0.545 0.307 4.853 1.00 0.00 N ATOM 0 H ASN A 35 -3.916 2.240 4.299 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.645 1.414 6.919 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.842 2.579 4.820 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.219 2.491 6.455 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.280 -0.664 4.684 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.022 1.064 4.471 1.00 0.00 H new ATOM 504 N ILE A 36 -3.687 4.661 6.615 1.00 0.00 N ATOM 505 CA ILE A 36 -3.744 5.915 7.356 1.00 0.00 C ATOM 506 C ILE A 36 -5.151 6.178 7.883 1.00 0.00 C ATOM 507 O ILE A 36 -5.345 6.410 9.075 1.00 0.00 O ATOM 508 CB ILE A 36 -3.304 7.105 6.483 1.00 0.00 C ATOM 509 CG1 ILE A 36 -1.868 6.903 5.995 1.00 0.00 C ATOM 510 CG2 ILE A 36 -3.426 8.406 7.262 1.00 0.00 C ATOM 511 CD1 ILE A 36 -1.499 7.785 4.823 1.00 0.00 C ATOM 0 H ILE A 36 -3.902 4.748 5.622 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.056 5.817 8.196 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.959 7.162 5.614 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.182 7.101 6.818 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.733 5.859 5.711 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.112 9.238 6.632 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.463 8.552 7.566 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.791 8.361 8.147 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.468 7.588 4.530 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.161 7.571 3.984 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.602 8.832 5.109 1.00 0.00 H new ATOM 523 N ASN A 37 -6.130 6.139 6.985 1.00 0.00 N ATOM 524 CA ASN A 37 -7.520 6.373 7.359 1.00 0.00 C ATOM 525 C ASN A 37 -8.010 5.300 8.328 1.00 0.00 C ATOM 526 O ASN A 37 -8.488 5.607 9.421 1.00 0.00 O ATOM 527 CB ASN A 37 -8.409 6.395 6.114 1.00 0.00 C ATOM 528 CG ASN A 37 -8.297 7.699 5.347 1.00 0.00 C ATOM 529 OD1 ASN A 37 -9.267 8.446 5.227 1.00 0.00 O ATOM 530 ND2 ASN A 37 -7.108 7.977 4.824 1.00 0.00 N ATOM 0 H ASN A 37 -5.986 5.948 5.993 1.00 0.00 H new ATOM 0 HA ASN A 37 -7.578 7.341 7.856 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.135 5.567 5.460 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.447 6.238 6.409 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -6.972 8.840 4.298 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -6.331 7.328 4.949 1.00 0.00 H new ATOM 537 N PHE A 38 -7.888 4.042 7.920 1.00 0.00 N ATOM 538 CA PHE A 38 -8.318 2.923 8.751 1.00 0.00 C ATOM 539 C PHE A 38 -7.118 2.200 9.354 1.00 0.00 C ATOM 540 O PHE A 38 -6.563 1.269 8.769 1.00 0.00 O ATOM 541 CB PHE A 38 -9.158 1.943 7.929 1.00 0.00 C ATOM 542 CG PHE A 38 -10.426 2.544 7.393 1.00 0.00 C ATOM 543 CD1 PHE A 38 -10.398 3.388 6.294 1.00 0.00 C ATOM 544 CD2 PHE A 38 -11.646 2.265 7.987 1.00 0.00 C ATOM 545 CE1 PHE A 38 -11.563 3.942 5.798 1.00 0.00 C ATOM 546 CE2 PHE A 38 -12.814 2.816 7.495 1.00 0.00 C ATOM 547 CZ PHE A 38 -12.772 3.656 6.400 1.00 0.00 C ATOM 0 H PHE A 38 -7.495 3.771 7.019 1.00 0.00 H new ATOM 0 HA PHE A 38 -8.926 3.320 9.564 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -8.560 1.574 7.096 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.407 1.082 8.549 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -9.455 3.615 5.820 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -11.685 1.609 8.844 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -11.528 4.598 4.941 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -13.759 2.590 7.967 1.00 0.00 H new ATOM 0 HZ PHE A 38 -13.684 4.089 6.015 1.00 0.00 H new ATOM 557 N PRO A 39 -6.705 2.638 10.553 1.00 0.00 N ATOM 558 CA PRO A 39 -5.566 2.047 11.262 1.00 0.00 C ATOM 559 C PRO A 39 -5.865 0.641 11.769 1.00 0.00 C ATOM 560 O PRO A 39 -5.047 -0.267 11.630 1.00 0.00 O ATOM 561 CB PRO A 39 -5.345 3.004 12.436 1.00 0.00 C ATOM 562 CG PRO A 39 -6.673 3.639 12.663 1.00 0.00 C ATOM 563 CD PRO A 39 -7.318 3.743 11.308 1.00 0.00 C ATOM 0 HA PRO A 39 -4.696 1.936 10.615 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -5.005 2.470 13.323 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -4.585 3.749 12.201 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.282 3.040 13.340 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -6.563 4.623 13.119 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.401 3.636 11.369 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -7.119 4.708 10.841 1.00 0.00 H new ATOM 571 N ASN A 40 -7.044 0.468 12.358 1.00 0.00 N ATOM 572 CA ASN A 40 -7.451 -0.829 12.887 1.00 0.00 C ATOM 573 C ASN A 40 -8.027 -1.711 11.782 1.00 0.00 C ATOM 574 O ASN A 40 -8.568 -2.785 12.048 1.00 0.00 O ATOM 575 CB ASN A 40 -8.485 -0.648 14.000 1.00 0.00 C ATOM 576 CG ASN A 40 -8.086 0.430 14.990 1.00 0.00 C ATOM 577 OD1 ASN A 40 -8.563 1.562 14.917 1.00 0.00 O ATOM 578 ND2 ASN A 40 -7.206 0.081 15.921 1.00 0.00 N ATOM 0 H ASN A 40 -7.734 1.209 12.481 1.00 0.00 H new ATOM 0 HA ASN A 40 -6.568 -1.319 13.297 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -9.449 -0.394 13.559 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.615 -1.592 14.528 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -6.899 0.764 16.614 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -6.837 -0.870 15.943 1.00 0.00 H new ATOM 585 N LEU A 41 -7.906 -1.249 10.542 1.00 0.00 N ATOM 586 CA LEU A 41 -8.413 -1.996 9.396 1.00 0.00 C ATOM 587 C LEU A 41 -8.193 -3.494 9.581 1.00 0.00 C ATOM 588 O LEU A 41 -9.127 -4.288 9.468 1.00 0.00 O ATOM 589 CB LEU A 41 -7.730 -1.523 8.112 1.00 0.00 C ATOM 590 CG LEU A 41 -8.344 -2.019 6.803 1.00 0.00 C ATOM 591 CD1 LEU A 41 -9.441 -1.074 6.335 1.00 0.00 C ATOM 592 CD2 LEU A 41 -7.273 -2.166 5.732 1.00 0.00 C ATOM 0 H LEU A 41 -7.462 -0.362 10.305 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.485 -1.812 9.319 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.735 -0.433 8.102 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.687 -1.837 8.142 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.788 -2.998 6.982 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.866 -1.444 5.402 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -10.222 -1.020 7.093 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.022 -0.081 6.174 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.729 -2.520 4.807 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.799 -1.200 5.556 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.522 -2.883 6.064 1.00 0.00 H new ATOM 604 N LYS A 42 -6.952 -3.873 9.866 1.00 0.00 N ATOM 605 CA LYS A 42 -6.608 -5.275 10.071 1.00 0.00 C ATOM 606 C LYS A 42 -7.646 -5.968 10.948 1.00 0.00 C ATOM 607 O LYS A 42 -8.223 -6.982 10.559 1.00 0.00 O ATOM 608 CB LYS A 42 -5.223 -5.394 10.710 1.00 0.00 C ATOM 609 CG LYS A 42 -4.121 -4.733 9.901 1.00 0.00 C ATOM 610 CD LYS A 42 -2.747 -5.043 10.471 1.00 0.00 C ATOM 611 CE LYS A 42 -2.387 -6.509 10.291 1.00 0.00 C ATOM 612 NZ LYS A 42 -0.916 -6.708 10.167 1.00 0.00 N ATOM 0 H LYS A 42 -6.167 -3.228 9.960 1.00 0.00 H new ATOM 0 HA LYS A 42 -6.595 -5.766 9.098 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.251 -4.947 11.704 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.982 -6.449 10.842 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.172 -5.075 8.867 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -4.275 -3.654 9.888 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.999 -4.421 9.980 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.726 -4.790 11.531 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.761 -7.082 11.140 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.882 -6.898 9.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.712 -7.720 10.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.563 -6.182 9.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.445 -6.360 11.027 1.00 0.00 H new ATOM 626 N GLU A 43 -7.878 -5.412 12.133 1.00 0.00 N ATOM 627 CA GLU A 43 -8.847 -5.977 13.065 1.00 0.00 C ATOM 628 C GLU A 43 -10.234 -6.045 12.432 1.00 0.00 C ATOM 629 O GLU A 43 -10.797 -7.126 12.262 1.00 0.00 O ATOM 630 CB GLU A 43 -8.900 -5.144 14.347 1.00 0.00 C ATOM 631 CG GLU A 43 -7.558 -5.019 15.047 1.00 0.00 C ATOM 632 CD GLU A 43 -6.763 -3.818 14.573 1.00 0.00 C ATOM 633 OE1 GLU A 43 -6.134 -3.909 13.498 1.00 0.00 O ATOM 634 OE2 GLU A 43 -6.770 -2.786 15.277 1.00 0.00 O ATOM 0 H GLU A 43 -7.409 -4.572 12.470 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.528 -6.990 13.311 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.270 -4.147 14.107 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.618 -5.594 15.033 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.719 -4.942 16.122 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.977 -5.925 14.876 1.00 0.00 H new ATOM 641 N GLU A 44 -10.778 -4.883 12.086 1.00 0.00 N ATOM 642 CA GLU A 44 -12.100 -4.811 11.473 1.00 0.00 C ATOM 643 C GLU A 44 -12.310 -5.963 10.496 1.00 0.00 C ATOM 644 O GLU A 44 -13.384 -6.563 10.447 1.00 0.00 O ATOM 645 CB GLU A 44 -12.279 -3.474 10.750 1.00 0.00 C ATOM 646 CG GLU A 44 -12.865 -2.381 11.627 1.00 0.00 C ATOM 647 CD GLU A 44 -13.398 -1.211 10.822 1.00 0.00 C ATOM 648 OE1 GLU A 44 -12.586 -0.516 10.176 1.00 0.00 O ATOM 649 OE2 GLU A 44 -14.627 -0.991 10.840 1.00 0.00 O ATOM 0 H GLU A 44 -10.325 -3.979 12.219 1.00 0.00 H new ATOM 0 HA GLU A 44 -12.845 -4.890 12.265 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.312 -3.144 10.370 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.927 -3.622 9.886 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -13.670 -2.798 12.232 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -12.100 -2.024 12.317 1.00 0.00 H new ATOM 656 N PHE A 45 -11.276 -6.267 9.718 1.00 0.00 N ATOM 657 CA PHE A 45 -11.346 -7.346 8.740 1.00 0.00 C ATOM 658 C PHE A 45 -10.091 -8.212 8.793 1.00 0.00 C ATOM 659 O PHE A 45 -9.080 -7.923 8.152 1.00 0.00 O ATOM 660 CB PHE A 45 -11.527 -6.776 7.331 1.00 0.00 C ATOM 661 CG PHE A 45 -12.484 -5.620 7.271 1.00 0.00 C ATOM 662 CD1 PHE A 45 -12.054 -4.332 7.546 1.00 0.00 C ATOM 663 CD2 PHE A 45 -13.814 -5.821 6.939 1.00 0.00 C ATOM 664 CE1 PHE A 45 -12.932 -3.266 7.491 1.00 0.00 C ATOM 665 CE2 PHE A 45 -14.697 -4.759 6.882 1.00 0.00 C ATOM 666 CZ PHE A 45 -14.255 -3.480 7.160 1.00 0.00 C ATOM 0 H PHE A 45 -10.380 -5.781 9.746 1.00 0.00 H new ATOM 0 HA PHE A 45 -12.206 -7.969 8.986 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -10.557 -6.455 6.950 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -11.883 -7.567 6.671 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -11.020 -4.159 7.806 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -14.165 -6.819 6.722 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -12.583 -2.267 7.707 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -15.731 -4.929 6.620 1.00 0.00 H new ATOM 0 HZ PHE A 45 -14.943 -2.649 7.118 1.00 0.00 H new ATOM 676 N PRO A 46 -10.155 -9.299 9.576 1.00 0.00 N ATOM 677 CA PRO A 46 -9.032 -10.229 9.733 1.00 0.00 C ATOM 678 C PRO A 46 -8.768 -11.036 8.467 1.00 0.00 C ATOM 679 O PRO A 46 -7.620 -11.204 8.055 1.00 0.00 O ATOM 680 CB PRO A 46 -9.489 -11.148 10.868 1.00 0.00 C ATOM 681 CG PRO A 46 -10.977 -11.094 10.824 1.00 0.00 C ATOM 682 CD PRO A 46 -11.328 -9.704 10.369 1.00 0.00 C ATOM 0 HA PRO A 46 -8.097 -9.709 9.939 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -9.125 -12.165 10.724 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.109 -10.807 11.831 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -11.374 -11.841 10.137 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -11.404 -11.303 11.805 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -12.240 -9.695 9.772 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -11.493 -9.034 11.213 1.00 0.00 H new ATOM 690 N ASP A 47 -9.836 -11.533 7.854 1.00 0.00 N ATOM 691 CA ASP A 47 -9.719 -12.322 6.633 1.00 0.00 C ATOM 692 C ASP A 47 -9.271 -11.451 5.463 1.00 0.00 C ATOM 693 O ASP A 47 -10.038 -10.630 4.959 1.00 0.00 O ATOM 694 CB ASP A 47 -11.054 -12.993 6.304 1.00 0.00 C ATOM 695 CG ASP A 47 -11.695 -13.633 7.519 1.00 0.00 C ATOM 696 OD1 ASP A 47 -11.140 -14.630 8.026 1.00 0.00 O ATOM 697 OD2 ASP A 47 -12.752 -13.138 7.963 1.00 0.00 O ATOM 0 H ASP A 47 -10.793 -11.404 8.182 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.965 -13.092 6.798 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.736 -12.253 5.885 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.897 -13.752 5.538 1.00 0.00 H new ATOM 702 N TRP A 48 -8.027 -11.635 5.038 1.00 0.00 N ATOM 703 CA TRP A 48 -7.477 -10.864 3.929 1.00 0.00 C ATOM 704 C TRP A 48 -8.472 -10.782 2.777 1.00 0.00 C ATOM 705 O TRP A 48 -8.931 -9.698 2.415 1.00 0.00 O ATOM 706 CB TRP A 48 -6.168 -11.491 3.444 1.00 0.00 C ATOM 707 CG TRP A 48 -5.603 -10.822 2.229 1.00 0.00 C ATOM 708 CD1 TRP A 48 -5.325 -11.405 1.026 1.00 0.00 C ATOM 709 CD2 TRP A 48 -5.244 -9.441 2.099 1.00 0.00 C ATOM 710 NE1 TRP A 48 -4.816 -10.471 0.156 1.00 0.00 N ATOM 711 CE2 TRP A 48 -4.757 -9.259 0.791 1.00 0.00 C ATOM 712 CE3 TRP A 48 -5.289 -8.342 2.961 1.00 0.00 C ATOM 713 CZ2 TRP A 48 -4.318 -8.022 0.326 1.00 0.00 C ATOM 714 CZ3 TRP A 48 -4.853 -7.115 2.499 1.00 0.00 C ATOM 715 CH2 TRP A 48 -4.373 -6.963 1.191 1.00 0.00 C ATOM 0 H TRP A 48 -7.380 -12.311 5.444 1.00 0.00 H new ATOM 0 HA TRP A 48 -7.278 -9.853 4.286 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.433 -11.448 4.248 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -6.338 -12.545 3.224 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -5.482 -12.448 0.792 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -4.529 -10.651 -0.806 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -5.658 -8.450 3.970 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -3.947 -7.903 -0.681 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -4.883 -6.259 3.157 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -4.040 -5.991 0.859 1.00 0.00 H new ATOM 726 N THR A 49 -8.804 -11.935 2.203 1.00 0.00 N ATOM 727 CA THR A 49 -9.745 -11.992 1.092 1.00 0.00 C ATOM 728 C THR A 49 -10.911 -11.034 1.308 1.00 0.00 C ATOM 729 O THR A 49 -11.528 -10.565 0.351 1.00 0.00 O ATOM 730 CB THR A 49 -10.296 -13.417 0.895 1.00 0.00 C ATOM 731 OG1 THR A 49 -9.269 -14.380 1.160 1.00 0.00 O ATOM 732 CG2 THR A 49 -10.821 -13.604 -0.520 1.00 0.00 C ATOM 0 H THR A 49 -8.435 -12.841 2.490 1.00 0.00 H new ATOM 0 HA THR A 49 -9.196 -11.696 0.198 1.00 0.00 H new ATOM 0 HB THR A 49 -11.120 -13.564 1.593 1.00 0.00 H new ATOM 0 HG1 THR A 49 -9.627 -15.283 1.034 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.205 -14.618 -0.635 1.00 0.00 H new ATOM 0 HG22 THR A 49 -11.622 -12.889 -0.708 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.013 -13.439 -1.233 1.00 0.00 H new ATOM 740 N THR A 50 -11.208 -10.747 2.571 1.00 0.00 N ATOM 741 CA THR A 50 -12.301 -9.845 2.913 1.00 0.00 C ATOM 742 C THR A 50 -11.798 -8.417 3.096 1.00 0.00 C ATOM 743 O THR A 50 -12.488 -7.457 2.751 1.00 0.00 O ATOM 744 CB THR A 50 -13.018 -10.293 4.201 1.00 0.00 C ATOM 745 OG1 THR A 50 -13.574 -11.600 4.021 1.00 0.00 O ATOM 746 CG2 THR A 50 -14.120 -9.314 4.575 1.00 0.00 C ATOM 0 H THR A 50 -10.707 -11.126 3.374 1.00 0.00 H new ATOM 0 HA THR A 50 -13.007 -9.876 2.083 1.00 0.00 H new ATOM 0 HB THR A 50 -12.287 -10.317 5.009 1.00 0.00 H new ATOM 0 HG1 THR A 50 -14.027 -11.879 4.844 1.00 0.00 H new ATOM 0 HG21 THR A 50 -14.612 -9.651 5.487 1.00 0.00 H new ATOM 0 HG22 THR A 50 -13.689 -8.326 4.739 1.00 0.00 H new ATOM 0 HG23 THR A 50 -14.850 -9.262 3.767 1.00 0.00 H new ATOM 754 N ARG A 51 -10.593 -8.284 3.641 1.00 0.00 N ATOM 755 CA ARG A 51 -9.999 -6.973 3.870 1.00 0.00 C ATOM 756 C ARG A 51 -9.605 -6.316 2.550 1.00 0.00 C ATOM 757 O ARG A 51 -9.943 -5.160 2.294 1.00 0.00 O ATOM 758 CB ARG A 51 -8.773 -7.096 4.776 1.00 0.00 C ATOM 759 CG ARG A 51 -7.882 -5.864 4.767 1.00 0.00 C ATOM 760 CD ARG A 51 -7.102 -5.732 6.065 1.00 0.00 C ATOM 761 NE ARG A 51 -5.812 -6.414 6.000 1.00 0.00 N ATOM 762 CZ ARG A 51 -5.651 -7.707 6.257 1.00 0.00 C ATOM 763 NH1 ARG A 51 -6.693 -8.455 6.593 1.00 0.00 N ATOM 764 NH2 ARG A 51 -4.445 -8.256 6.177 1.00 0.00 N ATOM 0 H ARG A 51 -10.009 -9.068 3.932 1.00 0.00 H new ATOM 0 HA ARG A 51 -10.743 -6.346 4.360 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.104 -7.287 5.797 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.187 -7.960 4.464 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.188 -5.922 3.928 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -8.492 -4.973 4.616 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -6.943 -4.677 6.287 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -7.690 -6.145 6.885 1.00 0.00 H new ATOM 0 HE ARG A 51 -4.990 -5.867 5.743 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -7.622 -8.038 6.655 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -6.566 -9.448 6.790 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.641 -7.685 5.918 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.323 -9.249 6.375 1.00 0.00 H new ATOM 778 N VAL A 52 -8.888 -7.062 1.715 1.00 0.00 N ATOM 779 CA VAL A 52 -8.448 -6.553 0.421 1.00 0.00 C ATOM 780 C VAL A 52 -9.597 -5.885 -0.326 1.00 0.00 C ATOM 781 O VAL A 52 -9.381 -5.020 -1.175 1.00 0.00 O ATOM 782 CB VAL A 52 -7.865 -7.677 -0.455 1.00 0.00 C ATOM 783 CG1 VAL A 52 -8.909 -8.754 -0.708 1.00 0.00 C ATOM 784 CG2 VAL A 52 -7.341 -7.112 -1.767 1.00 0.00 C ATOM 0 H VAL A 52 -8.600 -8.020 1.911 1.00 0.00 H new ATOM 0 HA VAL A 52 -7.670 -5.816 0.618 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.030 -8.133 0.078 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.478 -9.540 -1.329 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.231 -9.179 0.243 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.766 -8.317 -1.219 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.933 -7.920 -2.374 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -8.156 -6.629 -2.307 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.559 -6.381 -1.562 1.00 0.00 H new ATOM 794 N LYS A 53 -10.820 -6.293 -0.006 1.00 0.00 N ATOM 795 CA LYS A 53 -12.006 -5.734 -0.645 1.00 0.00 C ATOM 796 C LYS A 53 -12.319 -4.347 -0.092 1.00 0.00 C ATOM 797 O LYS A 53 -12.617 -3.422 -0.847 1.00 0.00 O ATOM 798 CB LYS A 53 -13.206 -6.660 -0.438 1.00 0.00 C ATOM 799 CG LYS A 53 -13.057 -8.011 -1.117 1.00 0.00 C ATOM 800 CD LYS A 53 -14.162 -8.968 -0.703 1.00 0.00 C ATOM 801 CE LYS A 53 -14.386 -10.047 -1.751 1.00 0.00 C ATOM 802 NZ LYS A 53 -15.142 -9.531 -2.926 1.00 0.00 N ATOM 0 H LYS A 53 -11.016 -7.010 0.693 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.805 -5.643 -1.712 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -13.355 -6.814 0.631 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -14.102 -6.169 -0.817 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -13.075 -7.879 -2.199 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -12.088 -8.441 -0.864 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.905 -9.432 0.249 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -15.087 -8.412 -0.548 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -13.424 -10.438 -2.081 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -14.931 -10.879 -1.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -15.407 -10.324 -3.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -16.001 -9.045 -2.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -14.547 -8.863 -3.456 1.00 0.00 H new ATOM 816 N GLN A 54 -12.248 -4.212 1.228 1.00 0.00 N ATOM 817 CA GLN A 54 -12.524 -2.937 1.881 1.00 0.00 C ATOM 818 C GLN A 54 -11.582 -1.851 1.372 1.00 0.00 C ATOM 819 O GLN A 54 -11.953 -0.679 1.299 1.00 0.00 O ATOM 820 CB GLN A 54 -12.388 -3.077 3.398 1.00 0.00 C ATOM 821 CG GLN A 54 -13.497 -3.898 4.035 1.00 0.00 C ATOM 822 CD GLN A 54 -14.862 -3.255 3.882 1.00 0.00 C ATOM 823 OE1 GLN A 54 -15.781 -3.848 3.317 1.00 0.00 O ATOM 824 NE2 GLN A 54 -15.001 -2.035 4.388 1.00 0.00 N ATOM 0 H GLN A 54 -12.002 -4.969 1.866 1.00 0.00 H new ATOM 0 HA GLN A 54 -13.547 -2.648 1.641 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -11.428 -3.539 3.627 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.379 -2.084 3.847 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -13.514 -4.890 3.584 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -13.280 -4.034 5.095 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -14.212 -1.581 4.848 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -15.897 -1.552 4.316 1.00 0.00 H new ATOM 833 N ILE A 55 -10.363 -2.247 1.022 1.00 0.00 N ATOM 834 CA ILE A 55 -9.369 -1.307 0.520 1.00 0.00 C ATOM 835 C ILE A 55 -9.753 -0.786 -0.861 1.00 0.00 C ATOM 836 O ILE A 55 -9.491 0.369 -1.194 1.00 0.00 O ATOM 837 CB ILE A 55 -7.973 -1.952 0.442 1.00 0.00 C ATOM 838 CG1 ILE A 55 -7.512 -2.393 1.833 1.00 0.00 C ATOM 839 CG2 ILE A 55 -6.974 -0.982 -0.170 1.00 0.00 C ATOM 840 CD1 ILE A 55 -6.325 -3.330 1.808 1.00 0.00 C ATOM 0 H ILE A 55 -10.040 -3.213 1.077 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.338 -0.476 1.224 1.00 0.00 H new ATOM 0 HB ILE A 55 -8.032 -2.833 -0.197 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.255 -1.510 2.418 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.341 -2.884 2.343 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.992 -1.453 -0.218 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -7.297 -0.713 -1.176 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -6.916 -0.084 0.445 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.054 -3.601 2.828 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.584 -4.230 1.250 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.481 -2.835 1.327 1.00 0.00 H new ATOM 852 N ALA A 56 -10.379 -1.645 -1.659 1.00 0.00 N ATOM 853 CA ALA A 56 -10.804 -1.270 -3.002 1.00 0.00 C ATOM 854 C ALA A 56 -12.004 -0.331 -2.956 1.00 0.00 C ATOM 855 O ALA A 56 -12.007 0.722 -3.595 1.00 0.00 O ATOM 856 CB ALA A 56 -11.134 -2.512 -3.817 1.00 0.00 C ATOM 0 H ALA A 56 -10.603 -2.605 -1.399 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.981 -0.741 -3.483 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -11.450 -2.217 -4.818 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.250 -3.146 -3.888 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -11.938 -3.063 -3.330 1.00 0.00 H new ATOM 862 N LYS A 57 -13.024 -0.718 -2.196 1.00 0.00 N ATOM 863 CA LYS A 57 -14.231 0.089 -2.066 1.00 0.00 C ATOM 864 C LYS A 57 -13.907 1.464 -1.489 1.00 0.00 C ATOM 865 O LYS A 57 -14.329 2.489 -2.026 1.00 0.00 O ATOM 866 CB LYS A 57 -15.251 -0.622 -1.174 1.00 0.00 C ATOM 867 CG LYS A 57 -14.976 -0.462 0.311 1.00 0.00 C ATOM 868 CD LYS A 57 -16.022 -1.176 1.152 1.00 0.00 C ATOM 869 CE LYS A 57 -17.194 -0.263 1.476 1.00 0.00 C ATOM 870 NZ LYS A 57 -17.978 -0.760 2.640 1.00 0.00 N ATOM 0 H LYS A 57 -13.038 -1.586 -1.661 1.00 0.00 H new ATOM 0 HA LYS A 57 -14.657 0.223 -3.060 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.246 -0.235 -1.394 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -15.260 -1.684 -1.421 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.988 -0.859 0.544 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -14.963 0.597 0.567 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -16.381 -2.056 0.618 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.567 -1.529 2.078 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -16.825 0.740 1.688 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -17.846 -0.185 0.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -18.888 -0.259 2.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -18.150 -1.780 2.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -17.445 -0.589 3.516 1.00 0.00 H new ATOM 884 N LEU A 58 -13.154 1.478 -0.395 1.00 0.00 N ATOM 885 CA LEU A 58 -12.771 2.728 0.254 1.00 0.00 C ATOM 886 C LEU A 58 -11.904 3.578 -0.670 1.00 0.00 C ATOM 887 O LEU A 58 -11.991 4.806 -0.663 1.00 0.00 O ATOM 888 CB LEU A 58 -12.020 2.441 1.555 1.00 0.00 C ATOM 889 CG LEU A 58 -12.780 1.626 2.603 1.00 0.00 C ATOM 890 CD1 LEU A 58 -11.812 0.958 3.565 1.00 0.00 C ATOM 891 CD2 LEU A 58 -13.760 2.512 3.359 1.00 0.00 C ATOM 0 H LEU A 58 -12.796 0.639 0.062 1.00 0.00 H new ATOM 0 HA LEU A 58 -13.681 3.284 0.482 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.099 1.912 1.310 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -11.732 3.392 2.002 1.00 0.00 H new ATOM 0 HG LEU A 58 -13.345 0.848 2.090 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -12.371 0.383 4.303 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.150 0.292 3.011 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.219 1.719 4.072 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -14.292 1.916 4.100 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.215 3.312 3.860 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -14.476 2.943 2.659 1.00 0.00 H new ATOM 903 N TRP A 59 -11.071 2.916 -1.465 1.00 0.00 N ATOM 904 CA TRP A 59 -10.189 3.611 -2.396 1.00 0.00 C ATOM 905 C TRP A 59 -10.995 4.370 -3.445 1.00 0.00 C ATOM 906 O TRP A 59 -10.829 5.578 -3.614 1.00 0.00 O ATOM 907 CB TRP A 59 -9.248 2.617 -3.078 1.00 0.00 C ATOM 908 CG TRP A 59 -8.325 3.258 -4.070 1.00 0.00 C ATOM 909 CD1 TRP A 59 -8.297 3.047 -5.419 1.00 0.00 C ATOM 910 CD2 TRP A 59 -7.295 4.212 -3.789 1.00 0.00 C ATOM 911 NE1 TRP A 59 -7.311 3.812 -5.994 1.00 0.00 N ATOM 912 CE2 TRP A 59 -6.683 4.537 -5.016 1.00 0.00 C ATOM 913 CE3 TRP A 59 -6.831 4.825 -2.622 1.00 0.00 C ATOM 914 CZ2 TRP A 59 -5.632 5.446 -5.105 1.00 0.00 C ATOM 915 CZ3 TRP A 59 -5.788 5.726 -2.713 1.00 0.00 C ATOM 916 CH2 TRP A 59 -5.198 6.031 -3.947 1.00 0.00 C ATOM 0 H TRP A 59 -10.988 1.900 -1.484 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.597 4.330 -1.830 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -8.656 2.108 -2.318 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -9.841 1.855 -3.584 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -8.953 2.377 -5.955 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -7.084 3.836 -6.988 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -7.280 4.598 -1.666 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -5.175 5.681 -6.055 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -5.421 6.204 -1.817 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -4.385 6.741 -3.985 1.00 0.00 H new ATOM 927 N ARG A 60 -11.868 3.653 -4.146 1.00 0.00 N ATOM 928 CA ARG A 60 -12.698 4.260 -5.180 1.00 0.00 C ATOM 929 C ARG A 60 -13.572 5.366 -4.595 1.00 0.00 C ATOM 930 O ARG A 60 -13.764 6.412 -5.215 1.00 0.00 O ATOM 931 CB ARG A 60 -13.577 3.199 -5.845 1.00 0.00 C ATOM 932 CG ARG A 60 -12.789 2.135 -6.591 1.00 0.00 C ATOM 933 CD ARG A 60 -13.694 1.280 -7.464 1.00 0.00 C ATOM 934 NE ARG A 60 -13.131 -0.046 -7.702 1.00 0.00 N ATOM 935 CZ ARG A 60 -12.955 -0.953 -6.748 1.00 0.00 C ATOM 936 NH1 ARG A 60 -13.298 -0.678 -5.497 1.00 0.00 N ATOM 937 NH2 ARG A 60 -12.437 -2.138 -7.043 1.00 0.00 N ATOM 0 H ARG A 60 -12.019 2.652 -4.017 1.00 0.00 H new ATOM 0 HA ARG A 60 -12.039 4.699 -5.929 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -14.190 2.718 -5.083 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -14.259 3.688 -6.540 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -12.029 2.611 -7.210 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -12.266 1.500 -5.876 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -14.669 1.180 -6.987 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -13.856 1.781 -8.418 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.858 -0.289 -8.654 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -13.698 0.231 -5.266 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -13.162 -1.376 -4.766 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -12.173 -2.354 -8.004 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -12.303 -2.833 -6.309 1.00 0.00 H new ATOM 951 N LYS A 61 -14.099 5.127 -3.399 1.00 0.00 N ATOM 952 CA LYS A 61 -14.951 6.102 -2.730 1.00 0.00 C ATOM 953 C LYS A 61 -14.300 7.481 -2.724 1.00 0.00 C ATOM 954 O LYS A 61 -14.971 8.496 -2.910 1.00 0.00 O ATOM 955 CB LYS A 61 -15.241 5.657 -1.295 1.00 0.00 C ATOM 956 CG LYS A 61 -16.317 6.479 -0.608 1.00 0.00 C ATOM 957 CD LYS A 61 -16.541 6.021 0.824 1.00 0.00 C ATOM 958 CE LYS A 61 -15.576 6.700 1.783 1.00 0.00 C ATOM 959 NZ LYS A 61 -15.791 8.173 1.837 1.00 0.00 N ATOM 0 H LYS A 61 -13.951 4.266 -2.873 1.00 0.00 H new ATOM 0 HA LYS A 61 -15.889 6.165 -3.281 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -15.545 4.610 -1.303 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -14.322 5.718 -0.712 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -16.032 7.531 -0.614 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -17.250 6.399 -1.167 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -17.566 6.241 1.121 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -16.416 4.940 0.885 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -15.699 6.278 2.781 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -14.551 6.494 1.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -15.453 8.540 2.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -15.265 8.629 1.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -16.805 8.380 1.735 1.00 0.00 H new ATOM 973 N ALA A 62 -12.989 7.510 -2.511 1.00 0.00 N ATOM 974 CA ALA A 62 -12.247 8.765 -2.485 1.00 0.00 C ATOM 975 C ALA A 62 -12.136 9.367 -3.882 1.00 0.00 C ATOM 976 O ALA A 62 -11.896 8.655 -4.857 1.00 0.00 O ATOM 977 CB ALA A 62 -10.863 8.547 -1.891 1.00 0.00 C ATOM 0 H ALA A 62 -12.419 6.679 -2.354 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.794 9.469 -1.857 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -10.320 9.492 -1.878 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -10.959 8.169 -0.873 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -10.317 7.823 -2.496 1.00 0.00 H new ATOM 983 N SER A 63 -12.314 10.681 -3.971 1.00 0.00 N ATOM 984 CA SER A 63 -12.239 11.378 -5.249 1.00 0.00 C ATOM 985 C SER A 63 -10.817 11.345 -5.803 1.00 0.00 C ATOM 986 O SER A 63 -9.847 11.279 -5.049 1.00 0.00 O ATOM 987 CB SER A 63 -12.704 12.827 -5.093 1.00 0.00 C ATOM 988 OG SER A 63 -14.108 12.931 -5.249 1.00 0.00 O ATOM 0 H SER A 63 -12.511 11.284 -3.173 1.00 0.00 H new ATOM 0 HA SER A 63 -12.897 10.867 -5.952 1.00 0.00 H new ATOM 0 HB2 SER A 63 -12.415 13.201 -4.111 1.00 0.00 H new ATOM 0 HB3 SER A 63 -12.205 13.454 -5.832 1.00 0.00 H new ATOM 0 HG SER A 63 -14.381 13.866 -5.143 1.00 0.00 H new ATOM 994 N SER A 64 -10.704 11.391 -7.127 1.00 0.00 N ATOM 995 CA SER A 64 -9.402 11.363 -7.784 1.00 0.00 C ATOM 996 C SER A 64 -8.441 12.350 -7.128 1.00 0.00 C ATOM 997 O SER A 64 -7.307 12.003 -6.800 1.00 0.00 O ATOM 998 CB SER A 64 -9.550 11.690 -9.271 1.00 0.00 C ATOM 999 OG SER A 64 -10.647 10.995 -9.839 1.00 0.00 O ATOM 0 H SER A 64 -11.498 11.448 -7.765 1.00 0.00 H new ATOM 0 HA SER A 64 -8.992 10.359 -7.679 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.690 12.763 -9.398 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.634 11.423 -9.798 1.00 0.00 H new ATOM 0 HG SER A 64 -10.721 11.222 -10.789 1.00 0.00 H new ATOM 1005 N GLN A 65 -8.905 13.582 -6.941 1.00 0.00 N ATOM 1006 CA GLN A 65 -8.087 14.620 -6.325 1.00 0.00 C ATOM 1007 C GLN A 65 -7.633 14.200 -4.931 1.00 0.00 C ATOM 1008 O GLN A 65 -6.633 14.701 -4.418 1.00 0.00 O ATOM 1009 CB GLN A 65 -8.867 15.934 -6.247 1.00 0.00 C ATOM 1010 CG GLN A 65 -7.984 17.170 -6.302 1.00 0.00 C ATOM 1011 CD GLN A 65 -7.064 17.177 -7.506 1.00 0.00 C ATOM 1012 OE1 GLN A 65 -5.854 17.365 -7.377 1.00 0.00 O ATOM 1013 NE2 GLN A 65 -7.633 16.970 -8.688 1.00 0.00 N ATOM 0 H GLN A 65 -9.842 13.885 -7.207 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.203 14.767 -6.945 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -9.582 15.972 -7.069 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -9.443 15.950 -5.322 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -8.613 18.060 -6.325 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.386 17.225 -5.392 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -8.640 16.818 -8.750 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.063 16.963 -9.534 1.00 0.00 H new ATOM 1022 N GLU A 66 -8.375 13.279 -4.325 1.00 0.00 N ATOM 1023 CA GLU A 66 -8.048 12.794 -2.989 1.00 0.00 C ATOM 1024 C GLU A 66 -6.887 11.806 -3.038 1.00 0.00 C ATOM 1025 O GLU A 66 -6.056 11.762 -2.131 1.00 0.00 O ATOM 1026 CB GLU A 66 -9.270 12.130 -2.350 1.00 0.00 C ATOM 1027 CG GLU A 66 -9.080 11.788 -0.882 1.00 0.00 C ATOM 1028 CD GLU A 66 -10.395 11.594 -0.153 1.00 0.00 C ATOM 1029 OE1 GLU A 66 -11.375 11.169 -0.799 1.00 0.00 O ATOM 1030 OE2 GLU A 66 -10.443 11.867 1.065 1.00 0.00 O ATOM 0 H GLU A 66 -9.206 12.854 -4.737 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.749 13.649 -2.383 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.128 12.794 -2.451 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.506 11.218 -2.899 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.485 10.878 -0.799 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.514 12.584 -0.398 1.00 0.00 H new ATOM 1037 N ARG A 67 -6.836 11.014 -4.105 1.00 0.00 N ATOM 1038 CA ARG A 67 -5.778 10.025 -4.272 1.00 0.00 C ATOM 1039 C ARG A 67 -4.501 10.678 -4.792 1.00 0.00 C ATOM 1040 O ARG A 67 -3.420 10.095 -4.720 1.00 0.00 O ATOM 1041 CB ARG A 67 -6.228 8.923 -5.233 1.00 0.00 C ATOM 1042 CG ARG A 67 -7.656 8.458 -5.001 1.00 0.00 C ATOM 1043 CD ARG A 67 -8.244 7.817 -6.248 1.00 0.00 C ATOM 1044 NE ARG A 67 -7.225 7.142 -7.048 1.00 0.00 N ATOM 1045 CZ ARG A 67 -7.452 6.642 -8.258 1.00 0.00 C ATOM 1046 NH1 ARG A 67 -8.655 6.743 -8.805 1.00 0.00 N ATOM 1047 NH2 ARG A 67 -6.473 6.041 -8.923 1.00 0.00 N ATOM 0 H ARG A 67 -7.515 11.038 -4.866 1.00 0.00 H new ATOM 0 HA ARG A 67 -5.569 9.584 -3.297 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -6.135 9.285 -6.257 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -5.557 8.070 -5.134 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -7.678 7.743 -4.179 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.272 9.306 -4.702 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -9.012 7.100 -5.959 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -8.732 8.581 -6.853 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.288 7.049 -6.656 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -9.409 7.205 -8.297 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -8.827 6.358 -9.734 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -5.546 5.963 -8.505 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -6.648 5.657 -9.852 1.00 0.00 H new ATOM 1061 N ALA A 68 -4.634 11.892 -5.317 1.00 0.00 N ATOM 1062 CA ALA A 68 -3.491 12.625 -5.848 1.00 0.00 C ATOM 1063 C ALA A 68 -2.246 12.386 -5.002 1.00 0.00 C ATOM 1064 O ALA A 68 -1.211 11.932 -5.491 1.00 0.00 O ATOM 1065 CB ALA A 68 -3.806 14.111 -5.921 1.00 0.00 C ATOM 0 H ALA A 68 -5.522 12.389 -5.386 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.290 12.258 -6.854 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.944 14.646 -6.319 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.665 14.269 -6.573 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.035 14.484 -4.923 1.00 0.00 H new ATOM 1071 N PRO A 69 -2.344 12.700 -3.701 1.00 0.00 N ATOM 1072 CA PRO A 69 -1.233 12.528 -2.760 1.00 0.00 C ATOM 1073 C PRO A 69 -0.929 11.060 -2.483 1.00 0.00 C ATOM 1074 O PRO A 69 0.225 10.634 -2.539 1.00 0.00 O ATOM 1075 CB PRO A 69 -1.736 13.219 -1.489 1.00 0.00 C ATOM 1076 CG PRO A 69 -3.221 13.153 -1.585 1.00 0.00 C ATOM 1077 CD PRO A 69 -3.546 13.246 -3.050 1.00 0.00 C ATOM 0 HA PRO A 69 -0.302 12.942 -3.148 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -1.374 12.713 -0.594 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -1.388 14.251 -1.435 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -3.599 12.223 -1.160 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -3.685 13.969 -1.030 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -4.436 12.670 -3.302 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.736 14.275 -3.355 1.00 0.00 H new ATOM 1085 N TYR A 70 -1.971 10.291 -2.185 1.00 0.00 N ATOM 1086 CA TYR A 70 -1.814 8.870 -1.898 1.00 0.00 C ATOM 1087 C TYR A 70 -1.264 8.127 -3.111 1.00 0.00 C ATOM 1088 O TYR A 70 -0.775 7.002 -2.996 1.00 0.00 O ATOM 1089 CB TYR A 70 -3.154 8.263 -1.479 1.00 0.00 C ATOM 1090 CG TYR A 70 -3.763 8.922 -0.262 1.00 0.00 C ATOM 1091 CD1 TYR A 70 -3.201 8.756 0.997 1.00 0.00 C ATOM 1092 CD2 TYR A 70 -4.902 9.711 -0.372 1.00 0.00 C ATOM 1093 CE1 TYR A 70 -3.754 9.356 2.112 1.00 0.00 C ATOM 1094 CE2 TYR A 70 -5.462 10.316 0.736 1.00 0.00 C ATOM 1095 CZ TYR A 70 -4.884 10.135 1.976 1.00 0.00 C ATOM 1096 OH TYR A 70 -5.440 10.735 3.083 1.00 0.00 O ATOM 0 H TYR A 70 -2.933 10.628 -2.136 1.00 0.00 H new ATOM 0 HA TYR A 70 -1.103 8.767 -1.078 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -3.854 8.339 -2.311 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -3.015 7.201 -1.275 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -2.316 8.147 1.107 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -5.357 9.853 -1.341 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -3.304 9.216 3.084 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -6.347 10.927 0.633 1.00 0.00 H new ATOM 0 HH TYR A 70 -6.230 11.249 2.814 1.00 0.00 H new ATOM 1106 N VAL A 71 -1.345 8.764 -4.275 1.00 0.00 N ATOM 1107 CA VAL A 71 -0.854 8.165 -5.511 1.00 0.00 C ATOM 1108 C VAL A 71 0.632 8.443 -5.703 1.00 0.00 C ATOM 1109 O VAL A 71 1.376 7.587 -6.180 1.00 0.00 O ATOM 1110 CB VAL A 71 -1.626 8.693 -6.735 1.00 0.00 C ATOM 1111 CG1 VAL A 71 -1.041 8.126 -8.020 1.00 0.00 C ATOM 1112 CG2 VAL A 71 -3.105 8.355 -6.618 1.00 0.00 C ATOM 0 H VAL A 71 -1.746 9.695 -4.388 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.012 7.090 -5.427 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.526 9.778 -6.766 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.599 8.510 -8.874 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.004 8.423 -8.106 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.109 7.038 -8.002 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.635 8.735 -7.491 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.228 7.273 -6.562 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.513 8.814 -5.717 1.00 0.00 H new ATOM 1122 N GLN A 72 1.058 9.645 -5.327 1.00 0.00 N ATOM 1123 CA GLN A 72 2.457 10.035 -5.459 1.00 0.00 C ATOM 1124 C GLN A 72 3.282 9.501 -4.293 1.00 0.00 C ATOM 1125 O GLN A 72 4.388 8.992 -4.483 1.00 0.00 O ATOM 1126 CB GLN A 72 2.579 11.558 -5.529 1.00 0.00 C ATOM 1127 CG GLN A 72 3.978 12.071 -5.230 1.00 0.00 C ATOM 1128 CD GLN A 72 4.973 11.722 -6.320 1.00 0.00 C ATOM 1129 OE1 GLN A 72 5.084 12.428 -7.323 1.00 0.00 O ATOM 1130 NE2 GLN A 72 5.702 10.630 -6.128 1.00 0.00 N ATOM 0 H GLN A 72 0.455 10.365 -4.929 1.00 0.00 H new ATOM 0 HA GLN A 72 2.843 9.604 -6.382 1.00 0.00 H new ATOM 0 HB2 GLN A 72 2.283 11.892 -6.523 1.00 0.00 H new ATOM 0 HB3 GLN A 72 1.879 12.003 -4.822 1.00 0.00 H new ATOM 0 HG2 GLN A 72 3.945 13.153 -5.106 1.00 0.00 H new ATOM 0 HG3 GLN A 72 4.320 11.652 -4.284 1.00 0.00 H new ATOM 0 HE21 GLN A 72 5.576 10.075 -5.281 1.00 0.00 H new ATOM 0 HE22 GLN A 72 6.388 10.345 -6.827 1.00 0.00 H new ATOM 1139 N LYS A 73 2.739 9.619 -3.086 1.00 0.00 N ATOM 1140 CA LYS A 73 3.425 9.147 -1.889 1.00 0.00 C ATOM 1141 C LYS A 73 3.836 7.686 -2.037 1.00 0.00 C ATOM 1142 O LYS A 73 4.956 7.309 -1.695 1.00 0.00 O ATOM 1143 CB LYS A 73 2.524 9.313 -0.662 1.00 0.00 C ATOM 1144 CG LYS A 73 3.235 9.049 0.654 1.00 0.00 C ATOM 1145 CD LYS A 73 2.481 9.655 1.826 1.00 0.00 C ATOM 1146 CE LYS A 73 2.768 8.908 3.119 1.00 0.00 C ATOM 1147 NZ LYS A 73 4.023 9.381 3.766 1.00 0.00 N ATOM 0 H LYS A 73 1.826 10.038 -2.911 1.00 0.00 H new ATOM 0 HA LYS A 73 4.325 9.747 -1.756 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.122 10.326 -0.651 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.676 8.634 -0.750 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.339 7.974 0.803 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.242 9.464 0.614 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.763 10.702 1.939 1.00 0.00 H new ATOM 0 HD3 LYS A 73 1.411 9.633 1.622 1.00 0.00 H new ATOM 0 HE2 LYS A 73 1.933 9.039 3.807 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.846 7.841 2.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.183 8.847 4.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.824 9.233 3.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.939 10.394 3.987 1.00 0.00 H new ATOM 1161 N ALA A 74 2.923 6.868 -2.551 1.00 0.00 N ATOM 1162 CA ALA A 74 3.192 5.449 -2.748 1.00 0.00 C ATOM 1163 C ALA A 74 4.492 5.239 -3.517 1.00 0.00 C ATOM 1164 O ALA A 74 5.335 4.434 -3.122 1.00 0.00 O ATOM 1165 CB ALA A 74 2.032 4.788 -3.477 1.00 0.00 C ATOM 0 H ALA A 74 1.990 7.164 -2.839 1.00 0.00 H new ATOM 0 HA ALA A 74 3.301 4.985 -1.768 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.247 3.729 -3.617 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.122 4.899 -2.888 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.895 5.262 -4.449 1.00 0.00 H new ATOM 1171 N ARG A 75 4.647 5.967 -4.618 1.00 0.00 N ATOM 1172 CA ARG A 75 5.843 5.858 -5.444 1.00 0.00 C ATOM 1173 C ARG A 75 7.089 6.238 -4.649 1.00 0.00 C ATOM 1174 O ARG A 75 8.086 5.517 -4.658 1.00 0.00 O ATOM 1175 CB ARG A 75 5.720 6.754 -6.678 1.00 0.00 C ATOM 1176 CG ARG A 75 4.633 6.313 -7.645 1.00 0.00 C ATOM 1177 CD ARG A 75 4.084 7.487 -8.440 1.00 0.00 C ATOM 1178 NE ARG A 75 4.887 7.766 -9.628 1.00 0.00 N ATOM 1179 CZ ARG A 75 4.983 6.936 -10.662 1.00 0.00 C ATOM 1180 NH1 ARG A 75 4.329 5.783 -10.653 1.00 0.00 N ATOM 1181 NH2 ARG A 75 5.733 7.261 -11.707 1.00 0.00 N ATOM 0 H ARG A 75 3.959 6.639 -4.959 1.00 0.00 H new ATOM 0 HA ARG A 75 5.939 4.821 -5.765 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.516 7.775 -6.356 1.00 0.00 H new ATOM 0 HB3 ARG A 75 6.676 6.770 -7.202 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.035 5.565 -8.329 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.824 5.837 -7.092 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.057 7.275 -8.738 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.055 8.373 -7.806 1.00 0.00 H new ATOM 0 HE ARG A 75 5.402 8.646 -9.666 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.751 5.531 -9.852 1.00 0.00 H new ATOM 0 HH12 ARG A 75 4.404 5.148 -11.448 1.00 0.00 H new ATOM 0 HH21 ARG A 75 6.236 8.148 -11.717 1.00 0.00 H new ATOM 0 HH22 ARG A 75 5.806 6.624 -12.500 1.00 0.00 H new ATOM 1195 N ASP A 76 7.023 7.374 -3.965 1.00 0.00 N ATOM 1196 CA ASP A 76 8.145 7.850 -3.164 1.00 0.00 C ATOM 1197 C ASP A 76 8.539 6.818 -2.112 1.00 0.00 C ATOM 1198 O ASP A 76 9.722 6.604 -1.850 1.00 0.00 O ATOM 1199 CB ASP A 76 7.792 9.176 -2.488 1.00 0.00 C ATOM 1200 CG ASP A 76 9.014 10.028 -2.209 1.00 0.00 C ATOM 1201 OD1 ASP A 76 10.091 9.453 -1.944 1.00 0.00 O ATOM 1202 OD2 ASP A 76 8.894 11.270 -2.256 1.00 0.00 O ATOM 0 H ASP A 76 6.205 7.983 -3.949 1.00 0.00 H new ATOM 0 HA ASP A 76 8.994 8.006 -3.830 1.00 0.00 H new ATOM 0 HB2 ASP A 76 7.103 9.732 -3.123 1.00 0.00 H new ATOM 0 HB3 ASP A 76 7.271 8.976 -1.552 1.00 0.00 H new ATOM 1207 N ASN A 77 7.539 6.181 -1.512 1.00 0.00 N ATOM 1208 CA ASN A 77 7.780 5.172 -0.487 1.00 0.00 C ATOM 1209 C ASN A 77 8.755 4.110 -0.988 1.00 0.00 C ATOM 1210 O ASN A 77 9.573 3.595 -0.226 1.00 0.00 O ATOM 1211 CB ASN A 77 6.464 4.514 -0.069 1.00 0.00 C ATOM 1212 CG ASN A 77 5.802 5.231 1.091 1.00 0.00 C ATOM 1213 OD1 ASN A 77 6.465 5.911 1.875 1.00 0.00 O ATOM 1214 ND2 ASN A 77 4.487 5.083 1.206 1.00 0.00 N ATOM 0 H ASN A 77 6.554 6.346 -1.718 1.00 0.00 H new ATOM 0 HA ASN A 77 8.221 5.667 0.378 1.00 0.00 H new ATOM 0 HB2 ASN A 77 5.783 4.499 -0.920 1.00 0.00 H new ATOM 0 HB3 ASN A 77 6.652 3.477 0.208 1.00 0.00 H new ATOM 0 HD21 ASN A 77 3.987 5.542 1.967 1.00 0.00 H new ATOM 0 HD22 ASN A 77 3.978 4.510 0.533 1.00 0.00 H new ATOM 1221 N ARG A 78 8.663 3.790 -2.275 1.00 0.00 N ATOM 1222 CA ARG A 78 9.536 2.790 -2.877 1.00 0.00 C ATOM 1223 C ARG A 78 10.999 3.207 -2.765 1.00 0.00 C ATOM 1224 O ARG A 78 11.873 2.380 -2.508 1.00 0.00 O ATOM 1225 CB ARG A 78 9.166 2.578 -4.346 1.00 0.00 C ATOM 1226 CG ARG A 78 7.805 1.932 -4.545 1.00 0.00 C ATOM 1227 CD ARG A 78 7.715 1.224 -5.888 1.00 0.00 C ATOM 1228 NE ARG A 78 8.162 2.076 -6.987 1.00 0.00 N ATOM 1229 CZ ARG A 78 7.374 2.945 -7.610 1.00 0.00 C ATOM 1230 NH1 ARG A 78 6.107 3.076 -7.245 1.00 0.00 N ATOM 1231 NH2 ARG A 78 7.854 3.685 -8.601 1.00 0.00 N ATOM 0 H ARG A 78 7.993 4.209 -2.920 1.00 0.00 H new ATOM 0 HA ARG A 78 9.401 1.853 -2.336 1.00 0.00 H new ATOM 0 HB2 ARG A 78 9.180 3.540 -4.858 1.00 0.00 H new ATOM 0 HB3 ARG A 78 9.927 1.955 -4.817 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.619 1.218 -3.743 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.027 2.693 -4.481 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.321 0.318 -5.862 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.685 0.913 -6.066 1.00 0.00 H new ATOM 0 HE ARG A 78 9.132 1.999 -7.293 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.734 2.509 -6.484 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.504 3.744 -7.725 1.00 0.00 H new ATOM 0 HH21 ARG A 78 8.829 3.587 -8.885 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.248 4.352 -9.079 1.00 0.00 H new ATOM 1245 N ALA A 79 11.258 4.496 -2.960 1.00 0.00 N ATOM 1246 CA ALA A 79 12.615 5.024 -2.879 1.00 0.00 C ATOM 1247 C ALA A 79 13.209 4.801 -1.492 1.00 0.00 C ATOM 1248 O ALA A 79 14.317 4.283 -1.357 1.00 0.00 O ATOM 1249 CB ALA A 79 12.627 6.504 -3.229 1.00 0.00 C ATOM 0 H ALA A 79 10.546 5.194 -3.175 1.00 0.00 H new ATOM 0 HA ALA A 79 13.231 4.487 -3.600 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.646 6.885 -3.164 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.252 6.641 -4.243 1.00 0.00 H new ATOM 0 HB3 ALA A 79 11.991 7.048 -2.531 1.00 0.00 H new ATOM 1255 N ALA A 80 12.465 5.196 -0.464 1.00 0.00 N ATOM 1256 CA ALA A 80 12.918 5.038 0.912 1.00 0.00 C ATOM 1257 C ALA A 80 13.615 3.697 1.110 1.00 0.00 C ATOM 1258 O ALA A 80 14.683 3.625 1.719 1.00 0.00 O ATOM 1259 CB ALA A 80 11.745 5.172 1.872 1.00 0.00 C ATOM 0 H ALA A 80 11.546 5.628 -0.558 1.00 0.00 H new ATOM 0 HA ALA A 80 13.639 5.827 1.124 1.00 0.00 H new ATOM 0 HB1 ALA A 80 12.098 5.052 2.896 1.00 0.00 H new ATOM 0 HB2 ALA A 80 11.292 6.157 1.757 1.00 0.00 H new ATOM 0 HB3 ALA A 80 11.004 4.404 1.651 1.00 0.00 H new