USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 THR OG1 : rot 176:sc= 0.937 USER MOD Set 1.2: A 99 LYS NZ :NH3+ 151:sc= 2.26 (180deg=-0.244) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 19 TYR OH : rot 1:sc= 0.276 USER MOD Single : A 22 GLN : amide:sc= 1.19 K(o=1.2,f=-0.041) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0.12 USER MOD Single : A 29 SER OG : rot 76:sc= 1.16 USER MOD Single : A 30 LYS NZ :NH3+ -111:sc= 0.0938 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -151:sc= 1.3 (180deg=0.417) USER MOD Single : A 43 THR OG1 : rot -70:sc= 1.18 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -127:sc= 1.14 (180deg=0.347) USER MOD Single : A 68 GLN : amide:sc= -0.0278 K(o=-0.028,f=-1.3) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -162:sc= 1.3 (180deg=1.13) USER MOD Single : A 84 SER OG : rot 82:sc= 0.166 USER MOD Single : A 85 GLN : amide:sc= -0.0386 X(o=-0.039,f=-0.16) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -151:sc= -0.445 (180deg=-1.72!) USER MOD Single : A 93 ASN : amide:sc= 0.404 K(o=0.4,f=-5.7!) USER MOD ----------------------------------------------------------------- ATOM 190 N ILE A 16 12.250 -1.155 -1.940 1.00 0.00 N ATOM 191 CA ILE A 16 11.065 -0.389 -2.302 1.00 0.00 C ATOM 192 C ILE A 16 9.955 -1.300 -2.822 1.00 0.00 C ATOM 193 O ILE A 16 8.784 -1.123 -2.481 1.00 0.00 O ATOM 194 CB ILE A 16 11.381 0.686 -3.365 1.00 0.00 C ATOM 195 CG1 ILE A 16 12.817 1.197 -3.213 1.00 0.00 C ATOM 196 CG2 ILE A 16 10.392 1.836 -3.257 1.00 0.00 C ATOM 197 CD1 ILE A 16 13.436 1.661 -4.513 1.00 0.00 C ATOM 0 HA ILE A 16 10.726 0.108 -1.393 1.00 0.00 H new ATOM 0 HB ILE A 16 11.286 0.233 -4.352 1.00 0.00 H new ATOM 0 HG12 ILE A 16 12.827 2.022 -2.501 1.00 0.00 H new ATOM 0 HG13 ILE A 16 13.433 0.404 -2.790 1.00 0.00 H new ATOM 0 HG21 ILE A 16 10.624 2.588 -4.011 1.00 0.00 H new ATOM 0 HG22 ILE A 16 9.381 1.462 -3.417 1.00 0.00 H new ATOM 0 HG23 ILE A 16 10.461 2.283 -2.265 1.00 0.00 H new ATOM 0 HD11 ILE A 16 14.452 2.009 -4.328 1.00 0.00 H new ATOM 0 HD12 ILE A 16 13.459 0.833 -5.221 1.00 0.00 H new ATOM 0 HD13 ILE A 16 12.843 2.476 -4.928 1.00 0.00 H new ATOM 209 N ASN A 17 10.328 -2.272 -3.646 1.00 0.00 N ATOM 210 CA ASN A 17 9.362 -3.208 -4.218 1.00 0.00 C ATOM 211 C ASN A 17 8.710 -4.041 -3.121 1.00 0.00 C ATOM 212 O ASN A 17 7.512 -4.328 -3.167 1.00 0.00 O ATOM 213 CB ASN A 17 10.043 -4.126 -5.237 1.00 0.00 C ATOM 214 CG ASN A 17 9.613 -3.831 -6.662 1.00 0.00 C ATOM 215 OD1 ASN A 17 9.894 -2.759 -7.193 1.00 0.00 O ATOM 216 ND2 ASN A 17 8.930 -4.776 -7.290 1.00 0.00 N ATOM 0 H ASN A 17 11.293 -2.434 -3.934 1.00 0.00 H new ATOM 0 HA ASN A 17 8.589 -2.631 -4.726 1.00 0.00 H new ATOM 0 HB2 ASN A 17 11.124 -4.014 -5.156 1.00 0.00 H new ATOM 0 HB3 ASN A 17 9.811 -5.164 -4.998 1.00 0.00 H new ATOM 0 HD21 ASN A 17 8.617 -4.627 -8.249 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.717 -5.653 -6.814 1.00 0.00 H new ATOM 223 N ASN A 18 9.499 -4.392 -2.116 1.00 0.00 N ATOM 224 CA ASN A 18 8.998 -5.155 -0.981 1.00 0.00 C ATOM 225 C ASN A 18 8.066 -4.294 -0.133 1.00 0.00 C ATOM 226 O ASN A 18 7.030 -4.762 0.339 1.00 0.00 O ATOM 227 CB ASN A 18 10.163 -5.670 -0.134 1.00 0.00 C ATOM 228 CG ASN A 18 9.703 -6.488 1.055 1.00 0.00 C ATOM 229 OD1 ASN A 18 8.869 -7.383 0.924 1.00 0.00 O ATOM 230 ND2 ASN A 18 10.256 -6.198 2.220 1.00 0.00 N ATOM 0 H ASN A 18 10.491 -4.160 -2.063 1.00 0.00 H new ATOM 0 HA ASN A 18 8.435 -6.010 -1.356 1.00 0.00 H new ATOM 0 HB2 ASN A 18 10.819 -6.278 -0.757 1.00 0.00 H new ATOM 0 HB3 ASN A 18 10.753 -4.824 0.218 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.995 -6.724 3.054 1.00 0.00 H new ATOM 0 HD22 ASN A 18 10.944 -5.448 2.285 1.00 0.00 H new ATOM 237 N TYR A 19 8.419 -3.020 0.002 1.00 0.00 N ATOM 238 CA TYR A 19 7.600 -2.058 0.732 1.00 0.00 C ATOM 239 C TYR A 19 6.228 -1.907 0.073 1.00 0.00 C ATOM 240 O TYR A 19 5.206 -1.852 0.752 1.00 0.00 O ATOM 241 CB TYR A 19 8.302 -0.699 0.778 1.00 0.00 C ATOM 242 CG TYR A 19 8.390 -0.088 2.160 1.00 0.00 C ATOM 243 CD1 TYR A 19 7.356 0.693 2.667 1.00 0.00 C ATOM 244 CD2 TYR A 19 9.513 -0.283 2.954 1.00 0.00 C ATOM 245 CE1 TYR A 19 7.442 1.261 3.926 1.00 0.00 C ATOM 246 CE2 TYR A 19 9.604 0.282 4.211 1.00 0.00 C ATOM 247 CZ TYR A 19 8.568 1.051 4.692 1.00 0.00 C ATOM 248 OH TYR A 19 8.661 1.614 5.945 1.00 0.00 O ATOM 0 H TYR A 19 9.275 -2.627 -0.389 1.00 0.00 H new ATOM 0 HA TYR A 19 7.461 -2.427 1.748 1.00 0.00 H new ATOM 0 HB2 TYR A 19 9.310 -0.810 0.378 1.00 0.00 H new ATOM 0 HB3 TYR A 19 7.773 -0.008 0.121 1.00 0.00 H new ATOM 0 HD1 TYR A 19 6.472 0.859 2.069 1.00 0.00 H new ATOM 0 HD2 TYR A 19 10.328 -0.886 2.582 1.00 0.00 H new ATOM 0 HE1 TYR A 19 6.631 1.865 4.306 1.00 0.00 H new ATOM 0 HE2 TYR A 19 10.485 0.121 4.815 1.00 0.00 H new ATOM 0 HH TYR A 19 7.840 2.112 6.142 1.00 0.00 H new ATOM 258 N ALA A 20 6.219 -1.839 -1.254 1.00 0.00 N ATOM 259 CA ALA A 20 4.978 -1.693 -2.007 1.00 0.00 C ATOM 260 C ALA A 20 4.105 -2.937 -1.874 1.00 0.00 C ATOM 261 O ALA A 20 2.878 -2.849 -1.809 1.00 0.00 O ATOM 262 CB ALA A 20 5.282 -1.410 -3.472 1.00 0.00 C ATOM 0 H ALA A 20 7.059 -1.883 -1.831 1.00 0.00 H new ATOM 0 HA ALA A 20 4.426 -0.850 -1.592 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.348 -1.303 -4.023 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.858 -0.488 -3.553 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.858 -2.236 -3.890 1.00 0.00 H new ATOM 268 N GLY A 21 4.747 -4.096 -1.830 1.00 0.00 N ATOM 269 CA GLY A 21 4.021 -5.342 -1.705 1.00 0.00 C ATOM 270 C GLY A 21 3.473 -5.565 -0.311 1.00 0.00 C ATOM 271 O GLY A 21 2.430 -6.196 -0.146 1.00 0.00 O ATOM 0 H GLY A 21 5.761 -4.195 -1.879 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.198 -5.351 -2.420 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.680 -6.169 -1.968 1.00 0.00 H new ATOM 275 N GLN A 22 4.206 -5.099 0.696 1.00 0.00 N ATOM 276 CA GLN A 22 3.820 -5.312 2.088 1.00 0.00 C ATOM 277 C GLN A 22 2.496 -4.622 2.412 1.00 0.00 C ATOM 278 O GLN A 22 1.737 -5.086 3.265 1.00 0.00 O ATOM 279 CB GLN A 22 4.935 -4.837 3.036 1.00 0.00 C ATOM 280 CG GLN A 22 4.893 -3.353 3.367 1.00 0.00 C ATOM 281 CD GLN A 22 4.491 -3.087 4.803 1.00 0.00 C ATOM 282 OE1 GLN A 22 5.257 -3.341 5.730 1.00 0.00 O ATOM 283 NE2 GLN A 22 3.286 -2.577 4.996 1.00 0.00 N ATOM 0 H GLN A 22 5.070 -4.571 0.575 1.00 0.00 H new ATOM 0 HA GLN A 22 3.675 -6.382 2.236 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.872 -5.405 3.964 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.900 -5.069 2.586 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.874 -2.915 3.181 1.00 0.00 H new ATOM 0 HG3 GLN A 22 4.190 -2.855 2.699 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.681 -2.381 4.198 1.00 0.00 H new ATOM 0 HE22 GLN A 22 2.961 -2.380 5.943 1.00 0.00 H new ATOM 292 N ILE A 23 2.196 -3.536 1.704 1.00 0.00 N ATOM 293 CA ILE A 23 0.937 -2.830 1.905 1.00 0.00 C ATOM 294 C ILE A 23 -0.228 -3.655 1.372 1.00 0.00 C ATOM 295 O ILE A 23 -1.309 -3.667 1.958 1.00 0.00 O ATOM 296 CB ILE A 23 0.923 -1.446 1.221 1.00 0.00 C ATOM 297 CG1 ILE A 23 2.280 -0.759 1.362 1.00 0.00 C ATOM 298 CG2 ILE A 23 -0.174 -0.573 1.819 1.00 0.00 C ATOM 299 CD1 ILE A 23 2.527 0.306 0.316 1.00 0.00 C ATOM 0 H ILE A 23 2.803 -3.130 0.992 1.00 0.00 H new ATOM 0 HA ILE A 23 0.833 -2.681 2.980 1.00 0.00 H new ATOM 0 HB ILE A 23 0.720 -1.590 0.160 1.00 0.00 H new ATOM 0 HG12 ILE A 23 2.349 -0.308 2.352 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.067 -1.510 1.298 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.173 0.400 1.328 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -1.142 -1.053 1.672 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.007 -0.441 2.886 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.509 0.752 0.476 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.490 -0.143 -0.676 1.00 0.00 H new ATOM 0 HD13 ILE A 23 1.761 1.077 0.394 1.00 0.00 H new ATOM 311 N LYS A 24 0.012 -4.370 0.277 1.00 0.00 N ATOM 312 CA LYS A 24 -1.006 -5.226 -0.324 1.00 0.00 C ATOM 313 C LYS A 24 -1.466 -6.294 0.664 1.00 0.00 C ATOM 314 O LYS A 24 -2.665 -6.502 0.861 1.00 0.00 O ATOM 315 CB LYS A 24 -0.467 -5.888 -1.597 1.00 0.00 C ATOM 316 CG LYS A 24 0.001 -4.899 -2.653 1.00 0.00 C ATOM 317 CD LYS A 24 0.555 -5.618 -3.874 1.00 0.00 C ATOM 318 CE LYS A 24 1.397 -4.695 -4.741 1.00 0.00 C ATOM 319 NZ LYS A 24 2.049 -5.427 -5.862 1.00 0.00 N ATOM 0 H LYS A 24 0.906 -4.373 -0.214 1.00 0.00 H new ATOM 0 HA LYS A 24 -1.861 -4.602 -0.586 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.364 -6.542 -1.331 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -1.246 -6.520 -2.024 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.831 -4.260 -2.950 1.00 0.00 H new ATOM 0 HG3 LYS A 24 0.768 -4.249 -2.232 1.00 0.00 H new ATOM 0 HD2 LYS A 24 1.160 -6.466 -3.553 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -0.269 -6.019 -4.464 1.00 0.00 H new ATOM 0 HE2 LYS A 24 0.768 -3.901 -5.143 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.160 -4.217 -4.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 2.613 -4.762 -6.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 2.669 -6.168 -5.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 1.320 -5.862 -6.463 1.00 0.00 H new ATOM 333 N SER A 25 -0.506 -6.952 1.298 1.00 0.00 N ATOM 334 CA SER A 25 -0.808 -7.979 2.282 1.00 0.00 C ATOM 335 C SER A 25 -1.408 -7.364 3.544 1.00 0.00 C ATOM 336 O SER A 25 -2.287 -7.952 4.178 1.00 0.00 O ATOM 337 CB SER A 25 0.462 -8.760 2.625 1.00 0.00 C ATOM 338 OG SER A 25 1.514 -8.429 1.731 1.00 0.00 O ATOM 0 H SER A 25 0.490 -6.792 1.147 1.00 0.00 H new ATOM 0 HA SER A 25 -1.543 -8.661 1.856 1.00 0.00 H new ATOM 0 HB2 SER A 25 0.765 -8.539 3.648 1.00 0.00 H new ATOM 0 HB3 SER A 25 0.261 -9.830 2.576 1.00 0.00 H new ATOM 0 HG SER A 25 2.317 -8.938 1.968 1.00 0.00 H new ATOM 344 N ALA A 26 -0.932 -6.175 3.899 1.00 0.00 N ATOM 345 CA ALA A 26 -1.413 -5.468 5.081 1.00 0.00 C ATOM 346 C ALA A 26 -2.916 -5.234 5.015 1.00 0.00 C ATOM 347 O ALA A 26 -3.634 -5.497 5.978 1.00 0.00 O ATOM 348 CB ALA A 26 -0.683 -4.145 5.238 1.00 0.00 C ATOM 0 H ALA A 26 -0.208 -5.678 3.381 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.208 -6.093 5.950 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.052 -3.629 6.124 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.386 -4.330 5.345 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.858 -3.526 4.358 1.00 0.00 H new ATOM 354 N ILE A 27 -3.386 -4.742 3.874 1.00 0.00 N ATOM 355 CA ILE A 27 -4.808 -4.472 3.685 1.00 0.00 C ATOM 356 C ILE A 27 -5.621 -5.765 3.736 1.00 0.00 C ATOM 357 O ILE A 27 -6.707 -5.798 4.308 1.00 0.00 O ATOM 358 CB ILE A 27 -5.072 -3.737 2.351 1.00 0.00 C ATOM 359 CG1 ILE A 27 -4.186 -2.493 2.251 1.00 0.00 C ATOM 360 CG2 ILE A 27 -6.540 -3.356 2.228 1.00 0.00 C ATOM 361 CD1 ILE A 27 -4.267 -1.789 0.912 1.00 0.00 C ATOM 0 H ILE A 27 -2.804 -4.522 3.066 1.00 0.00 H new ATOM 0 HA ILE A 27 -5.125 -3.824 4.502 1.00 0.00 H new ATOM 0 HB ILE A 27 -4.826 -4.410 1.530 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.470 -1.793 3.037 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -3.151 -2.780 2.438 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -6.704 -2.840 1.282 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -7.154 -4.256 2.261 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -6.816 -2.699 3.053 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.612 -0.918 0.919 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.954 -2.472 0.122 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.293 -1.470 0.730 1.00 0.00 H new ATOM 373 N GLU A 28 -5.057 -6.843 3.197 1.00 0.00 N ATOM 374 CA GLU A 28 -5.709 -8.151 3.243 1.00 0.00 C ATOM 375 C GLU A 28 -5.847 -8.643 4.684 1.00 0.00 C ATOM 376 O GLU A 28 -6.860 -9.232 5.059 1.00 0.00 O ATOM 377 CB GLU A 28 -4.918 -9.171 2.420 1.00 0.00 C ATOM 378 CG GLU A 28 -5.465 -10.588 2.523 1.00 0.00 C ATOM 379 CD GLU A 28 -4.742 -11.571 1.627 1.00 0.00 C ATOM 380 OE1 GLU A 28 -3.887 -11.142 0.823 1.00 0.00 O ATOM 381 OE2 GLU A 28 -5.033 -12.781 1.712 1.00 0.00 O ATOM 0 H GLU A 28 -4.153 -6.838 2.725 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.706 -8.044 2.816 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.921 -8.864 1.374 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.879 -9.166 2.750 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.391 -10.925 3.557 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.524 -10.582 2.265 1.00 0.00 H new ATOM 388 N SER A 29 -4.827 -8.388 5.494 1.00 0.00 N ATOM 389 CA SER A 29 -4.840 -8.804 6.893 1.00 0.00 C ATOM 390 C SER A 29 -5.793 -7.939 7.717 1.00 0.00 C ATOM 391 O SER A 29 -6.065 -8.236 8.880 1.00 0.00 O ATOM 392 CB SER A 29 -3.430 -8.730 7.483 1.00 0.00 C ATOM 393 OG SER A 29 -2.455 -9.189 6.557 1.00 0.00 O ATOM 0 H SER A 29 -3.981 -7.896 5.208 1.00 0.00 H new ATOM 0 HA SER A 29 -5.192 -9.835 6.932 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.207 -7.702 7.768 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.382 -9.331 8.391 1.00 0.00 H new ATOM 0 HG SER A 29 -2.302 -8.502 5.876 1.00 0.00 H new ATOM 399 N LYS A 30 -6.272 -6.855 7.121 1.00 0.00 N ATOM 400 CA LYS A 30 -7.163 -5.941 7.816 1.00 0.00 C ATOM 401 C LYS A 30 -8.581 -6.030 7.267 1.00 0.00 C ATOM 402 O LYS A 30 -9.518 -5.502 7.865 1.00 0.00 O ATOM 403 CB LYS A 30 -6.640 -4.511 7.706 1.00 0.00 C ATOM 404 CG LYS A 30 -5.924 -4.037 8.958 1.00 0.00 C ATOM 405 CD LYS A 30 -4.494 -4.545 9.014 1.00 0.00 C ATOM 406 CE LYS A 30 -4.274 -5.465 10.206 1.00 0.00 C ATOM 407 NZ LYS A 30 -3.687 -4.748 11.371 1.00 0.00 N ATOM 0 H LYS A 30 -6.058 -6.589 6.160 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.191 -6.229 8.867 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.958 -4.445 6.858 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.474 -3.841 7.497 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.924 -2.947 8.987 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.467 -4.379 9.839 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.260 -5.079 8.093 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.809 -3.700 9.075 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.225 -5.911 10.498 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.614 -6.282 9.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.711 -5.073 11.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.686 -3.725 11.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.253 -4.944 12.221 1.00 0.00 H new ATOM 421 N PHE A 31 -8.739 -6.755 6.166 1.00 0.00 N ATOM 422 CA PHE A 31 -10.052 -6.980 5.577 1.00 0.00 C ATOM 423 C PHE A 31 -10.900 -7.827 6.525 1.00 0.00 C ATOM 424 O PHE A 31 -10.406 -8.803 7.095 1.00 0.00 O ATOM 425 CB PHE A 31 -9.905 -7.663 4.205 1.00 0.00 C ATOM 426 CG PHE A 31 -10.009 -6.717 3.042 1.00 0.00 C ATOM 427 CD1 PHE A 31 -10.717 -5.530 3.150 1.00 0.00 C ATOM 428 CD2 PHE A 31 -9.403 -7.022 1.833 1.00 0.00 C ATOM 429 CE1 PHE A 31 -10.814 -4.665 2.075 1.00 0.00 C ATOM 430 CE2 PHE A 31 -9.499 -6.162 0.757 1.00 0.00 C ATOM 431 CZ PHE A 31 -10.206 -4.982 0.878 1.00 0.00 C ATOM 0 H PHE A 31 -7.971 -7.198 5.662 1.00 0.00 H new ATOM 0 HA PHE A 31 -10.553 -6.024 5.426 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -8.941 -8.170 4.164 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -10.673 -8.430 4.107 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -11.198 -5.278 4.084 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -8.849 -7.944 1.732 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -11.366 -3.742 2.173 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -9.021 -6.412 -0.179 1.00 0.00 H new ATOM 0 HZ PHE A 31 -10.283 -4.309 0.037 1.00 0.00 H new ATOM 544 N LYS A 40 -13.527 -6.918 -8.485 1.00 0.00 N ATOM 545 CA LYS A 40 -13.505 -5.463 -8.502 1.00 0.00 C ATOM 546 C LYS A 40 -12.075 -4.938 -8.504 1.00 0.00 C ATOM 547 O LYS A 40 -11.177 -5.548 -7.921 1.00 0.00 O ATOM 548 CB LYS A 40 -14.252 -4.903 -7.288 1.00 0.00 C ATOM 549 CG LYS A 40 -15.762 -5.033 -7.383 1.00 0.00 C ATOM 550 CD LYS A 40 -16.438 -3.676 -7.425 1.00 0.00 C ATOM 551 CE LYS A 40 -17.724 -3.722 -8.233 1.00 0.00 C ATOM 552 NZ LYS A 40 -18.901 -3.293 -7.433 1.00 0.00 N ATOM 0 HA LYS A 40 -14.001 -5.134 -9.415 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -13.908 -5.419 -6.392 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -13.994 -3.851 -7.168 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -16.023 -5.598 -8.278 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -16.133 -5.599 -6.529 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -16.656 -3.345 -6.410 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -15.759 -2.943 -7.860 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -17.626 -3.078 -9.107 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -17.885 -4.736 -8.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -19.754 -3.771 -7.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -18.753 -3.545 -6.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -19.021 -2.263 -7.516 1.00 0.00 H new ATOM 566 N THR A 41 -11.894 -3.768 -9.094 1.00 0.00 N ATOM 567 CA THR A 41 -10.607 -3.092 -9.105 1.00 0.00 C ATOM 568 C THR A 41 -10.773 -1.663 -8.590 1.00 0.00 C ATOM 569 O THR A 41 -11.695 -0.956 -8.998 1.00 0.00 O ATOM 570 CB THR A 41 -9.992 -3.089 -10.526 1.00 0.00 C ATOM 571 OG1 THR A 41 -9.314 -4.331 -10.763 1.00 0.00 O ATOM 572 CG2 THR A 41 -9.010 -1.942 -10.720 1.00 0.00 C ATOM 0 H THR A 41 -12.634 -3.260 -9.578 1.00 0.00 H new ATOM 0 HA THR A 41 -9.924 -3.632 -8.449 1.00 0.00 H new ATOM 0 HB THR A 41 -10.809 -2.959 -11.235 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.983 -4.352 -11.685 1.00 0.00 H new ATOM 0 HG21 THR A 41 -8.603 -1.979 -11.730 1.00 0.00 H new ATOM 0 HG22 THR A 41 -9.525 -0.993 -10.570 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.198 -2.032 -9.998 1.00 0.00 H new ATOM 580 N CYS A 42 -9.957 -1.281 -7.617 1.00 0.00 N ATOM 581 CA CYS A 42 -10.105 0.014 -6.977 1.00 0.00 C ATOM 582 C CYS A 42 -8.757 0.713 -6.811 1.00 0.00 C ATOM 583 O CYS A 42 -7.950 0.343 -5.959 1.00 0.00 O ATOM 584 CB CYS A 42 -10.796 -0.157 -5.625 1.00 0.00 C ATOM 585 SG CYS A 42 -12.292 0.862 -5.434 1.00 0.00 S ATOM 0 H CYS A 42 -9.190 -1.848 -7.257 1.00 0.00 H new ATOM 0 HA CYS A 42 -10.721 0.646 -7.617 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -11.062 -1.206 -5.493 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -10.092 0.095 -4.832 1.00 0.00 H new ATOM 590 N THR A 43 -8.519 1.715 -7.642 1.00 0.00 N ATOM 591 CA THR A 43 -7.274 2.464 -7.611 1.00 0.00 C ATOM 592 C THR A 43 -7.360 3.651 -6.652 1.00 0.00 C ATOM 593 O THR A 43 -8.139 4.582 -6.866 1.00 0.00 O ATOM 594 CB THR A 43 -6.924 2.983 -9.015 1.00 0.00 C ATOM 595 OG1 THR A 43 -7.443 2.091 -10.014 1.00 0.00 O ATOM 596 CG2 THR A 43 -5.419 3.133 -9.178 1.00 0.00 C ATOM 0 H THR A 43 -9.179 2.030 -8.353 1.00 0.00 H new ATOM 0 HA THR A 43 -6.496 1.784 -7.262 1.00 0.00 H new ATOM 0 HB THR A 43 -7.381 3.965 -9.141 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.940 1.250 -9.994 1.00 0.00 H new ATOM 0 HG21 THR A 43 -5.196 3.501 -10.179 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.042 3.840 -8.439 1.00 0.00 H new ATOM 0 HG23 THR A 43 -4.939 2.165 -9.033 1.00 0.00 H new ATOM 604 N LEU A 44 -6.517 3.639 -5.629 1.00 0.00 N ATOM 605 CA LEU A 44 -6.459 4.741 -4.683 1.00 0.00 C ATOM 606 C LEU A 44 -5.164 5.518 -4.855 1.00 0.00 C ATOM 607 O LEU A 44 -4.074 4.954 -4.751 1.00 0.00 O ATOM 608 CB LEU A 44 -6.565 4.237 -3.241 1.00 0.00 C ATOM 609 CG LEU A 44 -7.406 2.978 -3.044 1.00 0.00 C ATOM 610 CD1 LEU A 44 -6.701 2.014 -2.104 1.00 0.00 C ATOM 611 CD2 LEU A 44 -8.782 3.339 -2.508 1.00 0.00 C ATOM 0 H LEU A 44 -5.865 2.879 -5.434 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.305 5.397 -4.885 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.559 4.043 -2.868 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.985 5.033 -2.626 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.532 2.488 -4.009 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.312 1.121 -1.973 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.736 1.734 -2.526 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.548 2.494 -1.138 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.370 2.431 -2.373 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.677 3.849 -1.550 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.287 3.996 -3.216 1.00 0.00 H new ATOM 623 N ARG A 45 -5.286 6.824 -5.020 1.00 0.00 N ATOM 624 CA ARG A 45 -4.124 7.692 -5.084 1.00 0.00 C ATOM 625 C ARG A 45 -3.626 7.969 -3.675 1.00 0.00 C ATOM 626 O ARG A 45 -4.325 8.595 -2.874 1.00 0.00 O ATOM 627 CB ARG A 45 -4.466 9.007 -5.796 1.00 0.00 C ATOM 628 CG ARG A 45 -3.453 10.123 -5.566 1.00 0.00 C ATOM 629 CD ARG A 45 -2.479 10.263 -6.729 1.00 0.00 C ATOM 630 NE ARG A 45 -3.061 9.833 -8.001 1.00 0.00 N ATOM 631 CZ ARG A 45 -2.349 9.503 -9.079 1.00 0.00 C ATOM 632 NH1 ARG A 45 -1.025 9.609 -9.062 1.00 0.00 N ATOM 633 NH2 ARG A 45 -2.969 9.095 -10.180 1.00 0.00 N ATOM 0 H ARG A 45 -6.180 7.307 -5.112 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.340 7.194 -5.655 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -4.545 8.818 -6.867 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.446 9.346 -5.459 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.980 11.066 -5.420 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -2.897 9.924 -4.650 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -2.163 11.303 -6.811 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -1.586 9.673 -6.524 1.00 0.00 H new ATOM 0 HE ARG A 45 -4.078 9.782 -8.067 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.551 9.943 -8.223 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.482 9.356 -9.888 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.987 9.035 -10.199 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -2.427 8.842 -11.006 1.00 0.00 H new ATOM 647 N ILE A 46 -2.455 7.445 -3.357 1.00 0.00 N ATOM 648 CA ILE A 46 -1.907 7.583 -2.021 1.00 0.00 C ATOM 649 C ILE A 46 -0.555 8.289 -2.061 1.00 0.00 C ATOM 650 O ILE A 46 0.267 8.049 -2.949 1.00 0.00 O ATOM 651 CB ILE A 46 -1.779 6.214 -1.306 1.00 0.00 C ATOM 652 CG1 ILE A 46 -0.767 5.316 -2.018 1.00 0.00 C ATOM 653 CG2 ILE A 46 -3.136 5.521 -1.232 1.00 0.00 C ATOM 654 CD1 ILE A 46 0.159 4.576 -1.078 1.00 0.00 C ATOM 0 H ILE A 46 -1.867 6.921 -4.005 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.605 8.192 -1.447 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.421 6.397 -0.293 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.305 4.591 -2.629 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.170 5.924 -2.697 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.027 4.561 -0.727 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.834 6.147 -0.676 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.517 5.359 -2.240 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.848 3.960 -1.656 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.725 5.294 -0.485 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.428 3.940 -0.415 1.00 0.00 H new ATOM 666 N LYS A 47 -0.362 9.197 -1.122 1.00 0.00 N ATOM 667 CA LYS A 47 0.849 9.994 -1.041 1.00 0.00 C ATOM 668 C LYS A 47 1.492 9.797 0.324 1.00 0.00 C ATOM 669 O LYS A 47 0.898 10.149 1.347 1.00 0.00 O ATOM 670 CB LYS A 47 0.511 11.471 -1.260 1.00 0.00 C ATOM 671 CG LYS A 47 1.592 12.252 -1.981 1.00 0.00 C ATOM 672 CD LYS A 47 1.070 13.585 -2.489 1.00 0.00 C ATOM 673 CE LYS A 47 0.641 14.484 -1.342 1.00 0.00 C ATOM 674 NZ LYS A 47 -0.049 15.709 -1.825 1.00 0.00 N ATOM 0 H LYS A 47 -1.043 9.403 -0.391 1.00 0.00 H new ATOM 0 HA LYS A 47 1.549 9.677 -1.814 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.415 11.540 -1.831 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.324 11.937 -0.293 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.431 12.422 -1.306 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.970 11.665 -2.818 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.844 14.082 -3.073 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.225 13.416 -3.157 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.023 13.932 -0.677 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.516 14.767 -0.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.325 16.295 -1.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.593 16.250 -2.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.898 15.440 -2.362 1.00 0.00 H new ATOM 688 N LEU A 48 2.640 9.140 0.356 1.00 0.00 N ATOM 689 CA LEU A 48 3.269 8.793 1.616 1.00 0.00 C ATOM 690 C LEU A 48 4.303 9.826 2.031 1.00 0.00 C ATOM 691 O LEU A 48 5.043 10.354 1.203 1.00 0.00 O ATOM 692 CB LEU A 48 3.916 7.415 1.521 1.00 0.00 C ATOM 693 CG LEU A 48 3.613 6.497 2.698 1.00 0.00 C ATOM 694 CD1 LEU A 48 2.169 6.026 2.653 1.00 0.00 C ATOM 695 CD2 LEU A 48 4.567 5.312 2.715 1.00 0.00 C ATOM 0 H LEU A 48 3.152 8.838 -0.473 1.00 0.00 H new ATOM 0 HA LEU A 48 2.491 8.775 2.379 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.581 6.932 0.603 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.996 7.539 1.440 1.00 0.00 H new ATOM 0 HG LEU A 48 3.758 7.063 3.618 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.973 5.371 3.502 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.504 6.888 2.698 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.993 5.480 1.726 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.333 4.669 3.563 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.460 4.745 1.790 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.592 5.671 2.804 1.00 0.00 H new ATOM 707 N ALA A 49 4.378 10.064 3.332 1.00 0.00 N ATOM 708 CA ALA A 49 5.355 10.978 3.903 1.00 0.00 C ATOM 709 C ALA A 49 6.484 10.180 4.549 1.00 0.00 C ATOM 710 O ALA A 49 6.326 8.984 4.787 1.00 0.00 O ATOM 711 CB ALA A 49 4.681 11.875 4.935 1.00 0.00 C ATOM 0 H ALA A 49 3.764 9.629 4.021 1.00 0.00 H new ATOM 0 HA ALA A 49 5.772 11.605 3.115 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.417 12.558 5.360 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.888 12.449 4.456 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.256 11.261 5.729 1.00 0.00 H new ATOM 717 N PRO A 50 7.620 10.822 4.895 1.00 0.00 N ATOM 718 CA PRO A 50 8.733 10.136 5.570 1.00 0.00 C ATOM 719 C PRO A 50 8.332 9.633 6.956 1.00 0.00 C ATOM 720 O PRO A 50 9.017 8.807 7.558 1.00 0.00 O ATOM 721 CB PRO A 50 9.819 11.215 5.673 1.00 0.00 C ATOM 722 CG PRO A 50 9.089 12.510 5.582 1.00 0.00 C ATOM 723 CD PRO A 50 7.899 12.259 4.699 1.00 0.00 C ATOM 0 HA PRO A 50 9.061 9.250 5.026 1.00 0.00 H new ATOM 0 HB2 PRO A 50 10.366 11.136 6.613 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.550 11.117 4.870 1.00 0.00 H new ATOM 0 HG2 PRO A 50 8.776 12.851 6.569 1.00 0.00 H new ATOM 0 HG3 PRO A 50 9.727 13.288 5.163 1.00 0.00 H new ATOM 0 HD2 PRO A 50 7.048 12.876 4.988 1.00 0.00 H new ATOM 0 HD3 PRO A 50 8.118 12.486 3.656 1.00 0.00 H new ATOM 731 N ASP A 51 7.173 10.088 7.414 1.00 0.00 N ATOM 732 CA ASP A 51 6.605 9.647 8.683 1.00 0.00 C ATOM 733 C ASP A 51 5.804 8.359 8.487 1.00 0.00 C ATOM 734 O ASP A 51 5.477 7.655 9.441 1.00 0.00 O ATOM 735 CB ASP A 51 5.710 10.749 9.259 1.00 0.00 C ATOM 736 CG ASP A 51 4.970 10.316 10.509 1.00 0.00 C ATOM 737 OD1 ASP A 51 5.629 10.037 11.533 1.00 0.00 O ATOM 738 OD2 ASP A 51 3.726 10.259 10.476 1.00 0.00 O ATOM 0 H ASP A 51 6.601 10.772 6.918 1.00 0.00 H new ATOM 0 HA ASP A 51 7.415 9.445 9.384 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.320 11.622 9.489 1.00 0.00 H new ATOM 0 HB3 ASP A 51 4.987 11.055 8.503 1.00 0.00 H new ATOM 743 N GLY A 52 5.529 8.030 7.232 1.00 0.00 N ATOM 744 CA GLY A 52 4.814 6.808 6.920 1.00 0.00 C ATOM 745 C GLY A 52 3.327 7.036 6.762 1.00 0.00 C ATOM 746 O GLY A 52 2.614 6.190 6.228 1.00 0.00 O ATOM 0 H GLY A 52 5.790 8.591 6.421 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.213 6.381 6.000 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.985 6.078 7.711 1.00 0.00 H new ATOM 750 N MET A 53 2.860 8.184 7.226 1.00 0.00 N ATOM 751 CA MET A 53 1.451 8.526 7.132 1.00 0.00 C ATOM 752 C MET A 53 1.096 8.953 5.712 1.00 0.00 C ATOM 753 O MET A 53 1.919 9.536 4.999 1.00 0.00 O ATOM 754 CB MET A 53 1.096 9.640 8.126 1.00 0.00 C ATOM 755 CG MET A 53 1.737 10.982 7.805 1.00 0.00 C ATOM 756 SD MET A 53 0.533 12.316 7.647 1.00 0.00 S ATOM 757 CE MET A 53 1.498 13.709 8.230 1.00 0.00 C ATOM 0 H MET A 53 3.438 8.896 7.672 1.00 0.00 H new ATOM 0 HA MET A 53 0.869 7.639 7.384 1.00 0.00 H new ATOM 0 HB2 MET A 53 0.013 9.762 8.148 1.00 0.00 H new ATOM 0 HB3 MET A 53 1.402 9.332 9.126 1.00 0.00 H new ATOM 0 HG2 MET A 53 2.451 11.235 8.589 1.00 0.00 H new ATOM 0 HG3 MET A 53 2.301 10.897 6.876 1.00 0.00 H new ATOM 0 HE1 MET A 53 0.891 14.613 8.193 1.00 0.00 H new ATOM 0 HE2 MET A 53 1.816 13.527 9.257 1.00 0.00 H new ATOM 0 HE3 MET A 53 2.375 13.835 7.595 1.00 0.00 H new ATOM 767 N LEU A 54 -0.141 8.683 5.324 1.00 0.00 N ATOM 768 CA LEU A 54 -0.627 9.064 4.012 1.00 0.00 C ATOM 769 C LEU A 54 -1.223 10.462 4.067 1.00 0.00 C ATOM 770 O LEU A 54 -2.325 10.654 4.583 1.00 0.00 O ATOM 771 CB LEU A 54 -1.684 8.072 3.514 1.00 0.00 C ATOM 772 CG LEU A 54 -1.425 6.603 3.859 1.00 0.00 C ATOM 773 CD1 LEU A 54 -2.396 6.125 4.929 1.00 0.00 C ATOM 774 CD2 LEU A 54 -1.537 5.738 2.613 1.00 0.00 C ATOM 0 H LEU A 54 -0.827 8.199 5.904 1.00 0.00 H new ATOM 0 HA LEU A 54 0.214 9.053 3.318 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.650 8.359 3.928 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.762 8.164 2.431 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.412 6.515 4.252 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.196 5.079 5.161 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.270 6.726 5.829 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.418 6.227 4.564 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.350 4.697 2.875 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.538 5.833 2.193 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.803 6.064 1.876 1.00 0.00 H new ATOM 786 N LEU A 55 -0.496 11.432 3.527 1.00 0.00 N ATOM 787 CA LEU A 55 -0.967 12.813 3.502 1.00 0.00 C ATOM 788 C LEU A 55 -2.157 12.935 2.567 1.00 0.00 C ATOM 789 O LEU A 55 -3.074 13.723 2.799 1.00 0.00 O ATOM 790 CB LEU A 55 0.140 13.764 3.041 1.00 0.00 C ATOM 791 CG LEU A 55 1.553 13.389 3.480 1.00 0.00 C ATOM 792 CD1 LEU A 55 2.448 13.192 2.267 1.00 0.00 C ATOM 793 CD2 LEU A 55 2.124 14.459 4.399 1.00 0.00 C ATOM 0 H LEU A 55 0.420 11.290 3.101 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.262 13.088 4.515 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.119 13.818 1.953 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.085 14.763 3.414 1.00 0.00 H new ATOM 0 HG LEU A 55 1.509 12.450 4.032 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.452 12.925 2.595 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.046 12.393 1.644 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.488 14.116 1.691 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.132 14.177 4.703 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.158 15.412 3.871 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.492 14.555 5.282 1.00 0.00 H new ATOM 805 N ASP A 56 -2.158 12.094 1.547 1.00 0.00 N ATOM 806 CA ASP A 56 -3.261 12.030 0.605 1.00 0.00 C ATOM 807 C ASP A 56 -3.618 10.580 0.335 1.00 0.00 C ATOM 808 O ASP A 56 -2.742 9.763 0.057 1.00 0.00 O ATOM 809 CB ASP A 56 -2.888 12.726 -0.708 1.00 0.00 C ATOM 810 CG ASP A 56 -4.105 13.067 -1.546 1.00 0.00 C ATOM 811 OD1 ASP A 56 -5.153 13.410 -0.965 1.00 0.00 O ATOM 812 OD2 ASP A 56 -4.014 13.008 -2.790 1.00 0.00 O ATOM 0 H ASP A 56 -1.400 11.441 1.350 1.00 0.00 H new ATOM 0 HA ASP A 56 -4.121 12.542 1.037 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.334 13.639 -0.488 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -2.224 12.081 -1.283 1.00 0.00 H new ATOM 817 N ILE A 57 -4.898 10.264 0.414 1.00 0.00 N ATOM 818 CA ILE A 57 -5.368 8.911 0.162 1.00 0.00 C ATOM 819 C ILE A 57 -6.831 8.946 -0.247 1.00 0.00 C ATOM 820 O ILE A 57 -7.713 9.237 0.563 1.00 0.00 O ATOM 821 CB ILE A 57 -5.173 7.984 1.392 1.00 0.00 C ATOM 822 CG1 ILE A 57 -5.935 6.664 1.208 1.00 0.00 C ATOM 823 CG2 ILE A 57 -5.602 8.681 2.680 1.00 0.00 C ATOM 824 CD1 ILE A 57 -5.498 5.570 2.159 1.00 0.00 C ATOM 0 H ILE A 57 -5.635 10.928 0.652 1.00 0.00 H new ATOM 0 HA ILE A 57 -4.769 8.496 -0.649 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.110 7.756 1.472 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -7.001 6.848 1.345 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -5.801 6.317 0.183 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -5.454 8.008 3.525 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.003 9.580 2.824 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -6.655 8.953 2.613 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -6.081 4.669 1.969 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -4.440 5.357 2.007 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -5.658 5.896 3.187 1.00 0.00 H new ATOM 836 N LYS A 58 -7.080 8.734 -1.526 1.00 0.00 N ATOM 837 CA LYS A 58 -8.429 8.829 -2.048 1.00 0.00 C ATOM 838 C LYS A 58 -8.586 7.984 -3.305 1.00 0.00 C ATOM 839 O LYS A 58 -7.637 7.805 -4.068 1.00 0.00 O ATOM 840 CB LYS A 58 -8.788 10.293 -2.331 1.00 0.00 C ATOM 841 CG LYS A 58 -8.342 10.799 -3.696 1.00 0.00 C ATOM 842 CD LYS A 58 -8.576 12.290 -3.838 1.00 0.00 C ATOM 843 CE LYS A 58 -7.373 13.081 -3.358 1.00 0.00 C ATOM 844 NZ LYS A 58 -6.210 12.938 -4.271 1.00 0.00 N ATOM 0 H LYS A 58 -6.370 8.496 -2.218 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.116 8.442 -1.295 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -9.868 10.412 -2.249 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -8.339 10.920 -1.561 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.284 10.580 -3.839 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -8.885 10.268 -4.478 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.781 12.531 -4.881 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.457 12.579 -3.265 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.641 14.134 -3.276 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.093 12.745 -2.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -5.376 12.639 -3.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.424 12.225 -4.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.014 13.851 -4.730 1.00 0.00 H new ATOM 858 N PRO A 59 -9.789 7.441 -3.525 1.00 0.00 N ATOM 859 CA PRO A 59 -10.084 6.601 -4.684 1.00 0.00 C ATOM 860 C PRO A 59 -10.175 7.421 -5.964 1.00 0.00 C ATOM 861 O PRO A 59 -10.914 8.406 -6.030 1.00 0.00 O ATOM 862 CB PRO A 59 -11.452 5.983 -4.356 1.00 0.00 C ATOM 863 CG PRO A 59 -11.712 6.321 -2.925 1.00 0.00 C ATOM 864 CD PRO A 59 -10.959 7.586 -2.655 1.00 0.00 C ATOM 0 HA PRO A 59 -9.304 5.860 -4.857 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -12.230 6.388 -5.002 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -11.441 4.904 -4.508 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -12.778 6.456 -2.744 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -11.376 5.519 -2.268 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -11.545 8.470 -2.905 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -10.678 7.676 -1.606 1.00 0.00 H new ATOM 872 N GLU A 60 -9.464 6.990 -6.989 1.00 0.00 N ATOM 873 CA GLU A 60 -9.511 7.661 -8.276 1.00 0.00 C ATOM 874 C GLU A 60 -10.469 6.926 -9.206 1.00 0.00 C ATOM 875 O GLU A 60 -11.582 7.388 -9.460 1.00 0.00 O ATOM 876 CB GLU A 60 -8.114 7.737 -8.895 1.00 0.00 C ATOM 877 CG GLU A 60 -7.757 9.124 -9.400 1.00 0.00 C ATOM 878 CD GLU A 60 -6.263 9.361 -9.449 1.00 0.00 C ATOM 879 OE1 GLU A 60 -5.633 9.028 -10.473 1.00 0.00 O ATOM 880 OE2 GLU A 60 -5.709 9.890 -8.465 1.00 0.00 O ATOM 0 H GLU A 60 -8.847 6.178 -6.956 1.00 0.00 H new ATOM 0 HA GLU A 60 -9.872 8.679 -8.130 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.378 7.427 -8.153 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -8.051 7.029 -9.722 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.176 9.262 -10.397 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.218 9.871 -8.754 1.00 0.00 H new ATOM 887 N GLY A 61 -10.068 5.741 -9.642 1.00 0.00 N ATOM 888 CA GLY A 61 -10.938 4.924 -10.461 1.00 0.00 C ATOM 889 C GLY A 61 -11.212 3.583 -9.819 1.00 0.00 C ATOM 890 O GLY A 61 -10.281 2.879 -9.427 1.00 0.00 O ATOM 0 H GLY A 61 -9.156 5.331 -9.443 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -11.880 5.448 -10.626 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -10.481 4.773 -11.439 1.00 0.00 H new ATOM 894 N GLY A 62 -12.483 3.234 -9.688 1.00 0.00 N ATOM 895 CA GLY A 62 -12.835 1.976 -9.066 1.00 0.00 C ATOM 896 C GLY A 62 -14.294 1.913 -8.666 1.00 0.00 C ATOM 897 O GLY A 62 -15.167 2.364 -9.409 1.00 0.00 O ATOM 0 H GLY A 62 -13.274 3.797 -10.000 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -12.615 1.160 -9.755 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -12.213 1.824 -8.184 1.00 0.00 H new ATOM 901 N ASP A 63 -14.549 1.358 -7.491 1.00 0.00 N ATOM 902 CA ASP A 63 -15.904 1.226 -6.970 1.00 0.00 C ATOM 903 C ASP A 63 -16.016 1.915 -5.613 1.00 0.00 C ATOM 904 O ASP A 63 -15.163 1.728 -4.743 1.00 0.00 O ATOM 905 CB ASP A 63 -16.268 -0.255 -6.837 1.00 0.00 C ATOM 906 CG ASP A 63 -17.647 -0.476 -6.241 1.00 0.00 C ATOM 907 OD1 ASP A 63 -17.766 -0.514 -5.000 1.00 0.00 O ATOM 908 OD2 ASP A 63 -18.614 -0.646 -7.010 1.00 0.00 O ATOM 0 H ASP A 63 -13.827 0.987 -6.873 1.00 0.00 H new ATOM 0 HA ASP A 63 -16.597 1.703 -7.663 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -16.224 -0.724 -7.820 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -15.525 -0.752 -6.213 1.00 0.00 H new ATOM 913 N PRO A 64 -17.033 2.771 -5.437 1.00 0.00 N ATOM 914 CA PRO A 64 -17.219 3.556 -4.208 1.00 0.00 C ATOM 915 C PRO A 64 -17.289 2.703 -2.938 1.00 0.00 C ATOM 916 O PRO A 64 -16.826 3.122 -1.878 1.00 0.00 O ATOM 917 CB PRO A 64 -18.552 4.267 -4.441 1.00 0.00 C ATOM 918 CG PRO A 64 -18.687 4.347 -5.920 1.00 0.00 C ATOM 919 CD PRO A 64 -18.047 3.098 -6.457 1.00 0.00 C ATOM 0 HA PRO A 64 -16.375 4.224 -4.038 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -19.379 3.712 -3.998 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -18.555 5.259 -3.989 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -19.735 4.407 -6.214 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -18.195 5.238 -6.310 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -18.773 2.293 -6.575 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -17.595 3.266 -7.434 1.00 0.00 H new ATOM 927 N ALA A 65 -17.863 1.512 -3.040 1.00 0.00 N ATOM 928 CA ALA A 65 -17.977 0.628 -1.887 1.00 0.00 C ATOM 929 C ALA A 65 -16.679 -0.134 -1.661 1.00 0.00 C ATOM 930 O ALA A 65 -16.202 -0.244 -0.531 1.00 0.00 O ATOM 931 CB ALA A 65 -19.141 -0.336 -2.059 1.00 0.00 C ATOM 0 H ALA A 65 -18.255 1.137 -3.904 1.00 0.00 H new ATOM 0 HA ALA A 65 -18.170 1.242 -1.007 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -19.207 -0.986 -1.187 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -20.068 0.228 -2.162 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -18.983 -0.941 -2.952 1.00 0.00 H new ATOM 937 N LEU A 66 -16.097 -0.628 -2.751 1.00 0.00 N ATOM 938 CA LEU A 66 -14.831 -1.352 -2.690 1.00 0.00 C ATOM 939 C LEU A 66 -13.744 -0.477 -2.088 1.00 0.00 C ATOM 940 O LEU A 66 -13.034 -0.885 -1.167 1.00 0.00 O ATOM 941 CB LEU A 66 -14.401 -1.798 -4.091 1.00 0.00 C ATOM 942 CG LEU A 66 -13.814 -3.210 -4.189 1.00 0.00 C ATOM 943 CD1 LEU A 66 -12.514 -3.328 -3.409 1.00 0.00 C ATOM 944 CD2 LEU A 66 -14.817 -4.232 -3.691 1.00 0.00 C ATOM 0 H LEU A 66 -16.484 -0.539 -3.690 1.00 0.00 H new ATOM 0 HA LEU A 66 -14.976 -2.230 -2.060 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -15.265 -1.737 -4.753 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -13.662 -1.090 -4.466 1.00 0.00 H new ATOM 0 HG LEU A 66 -13.594 -3.407 -5.238 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -12.126 -4.342 -3.500 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -11.785 -2.623 -3.808 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -12.698 -3.103 -2.358 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -14.387 -5.231 -3.766 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -15.065 -4.021 -2.651 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -15.721 -4.180 -4.297 1.00 0.00 H new ATOM 956 N CYS A 67 -13.598 0.710 -2.649 1.00 0.00 N ATOM 957 CA CYS A 67 -12.570 1.641 -2.223 1.00 0.00 C ATOM 958 C CYS A 67 -12.787 2.063 -0.776 1.00 0.00 C ATOM 959 O CYS A 67 -11.831 2.195 -0.020 1.00 0.00 O ATOM 960 CB CYS A 67 -12.550 2.860 -3.145 1.00 0.00 C ATOM 961 SG CYS A 67 -11.598 2.615 -4.685 1.00 0.00 S ATOM 0 H CYS A 67 -14.185 1.054 -3.409 1.00 0.00 H new ATOM 0 HA CYS A 67 -11.603 1.141 -2.285 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -13.576 3.124 -3.403 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -12.130 3.706 -2.602 1.00 0.00 H new ATOM 966 N GLN A 68 -14.046 2.220 -0.380 1.00 0.00 N ATOM 967 CA GLN A 68 -14.373 2.578 0.998 1.00 0.00 C ATOM 968 C GLN A 68 -13.933 1.481 1.961 1.00 0.00 C ATOM 969 O GLN A 68 -13.319 1.758 2.992 1.00 0.00 O ATOM 970 CB GLN A 68 -15.874 2.827 1.147 1.00 0.00 C ATOM 971 CG GLN A 68 -16.225 3.807 2.255 1.00 0.00 C ATOM 972 CD GLN A 68 -16.201 5.248 1.790 1.00 0.00 C ATOM 973 OE1 GLN A 68 -15.849 5.543 0.645 1.00 0.00 O ATOM 974 NE2 GLN A 68 -16.583 6.157 2.671 1.00 0.00 N ATOM 0 H GLN A 68 -14.855 2.106 -0.991 1.00 0.00 H new ATOM 0 HA GLN A 68 -13.836 3.495 1.243 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -16.266 3.205 0.203 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -16.373 1.878 1.342 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -17.216 3.571 2.643 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -15.523 3.684 3.079 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -16.867 5.871 3.608 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -16.594 7.144 2.413 1.00 0.00 H new ATOM 983 N ALA A 69 -14.189 0.232 1.584 1.00 0.00 N ATOM 984 CA ALA A 69 -13.756 -0.908 2.381 1.00 0.00 C ATOM 985 C ALA A 69 -12.236 -0.950 2.457 1.00 0.00 C ATOM 986 O ALA A 69 -11.658 -1.175 3.523 1.00 0.00 O ATOM 987 CB ALA A 69 -14.299 -2.203 1.794 1.00 0.00 C ATOM 0 H ALA A 69 -14.693 -0.015 0.733 1.00 0.00 H new ATOM 0 HA ALA A 69 -14.150 -0.798 3.391 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -13.967 -3.045 2.401 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -15.388 -2.170 1.785 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -13.931 -2.323 0.775 1.00 0.00 H new ATOM 993 N ALA A 70 -11.592 -0.669 1.329 1.00 0.00 N ATOM 994 CA ALA A 70 -10.138 -0.607 1.267 1.00 0.00 C ATOM 995 C ALA A 70 -9.598 0.517 2.152 1.00 0.00 C ATOM 996 O ALA A 70 -8.584 0.346 2.821 1.00 0.00 O ATOM 997 CB ALA A 70 -9.679 -0.418 -0.172 1.00 0.00 C ATOM 0 H ALA A 70 -12.058 -0.480 0.442 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.741 -1.551 1.641 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -8.590 -0.373 -0.204 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -10.026 -1.255 -0.777 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.092 0.510 -0.567 1.00 0.00 H new ATOM 1003 N LEU A 71 -10.289 1.657 2.153 1.00 0.00 N ATOM 1004 CA LEU A 71 -9.889 2.813 2.959 1.00 0.00 C ATOM 1005 C LEU A 71 -9.809 2.443 4.435 1.00 0.00 C ATOM 1006 O LEU A 71 -8.821 2.741 5.109 1.00 0.00 O ATOM 1007 CB LEU A 71 -10.885 3.969 2.785 1.00 0.00 C ATOM 1008 CG LEU A 71 -10.923 4.616 1.398 1.00 0.00 C ATOM 1009 CD1 LEU A 71 -11.902 5.781 1.380 1.00 0.00 C ATOM 1010 CD2 LEU A 71 -9.535 5.072 0.984 1.00 0.00 C ATOM 0 H LEU A 71 -11.134 1.806 1.601 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.905 3.129 2.613 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -11.884 3.601 3.020 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.648 4.740 3.518 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.265 3.872 0.679 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.916 6.229 0.386 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.900 5.421 1.630 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.592 6.528 2.111 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -9.582 5.529 -0.004 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.162 5.801 1.704 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.864 4.214 0.955 1.00 0.00 H new ATOM 1022 N ALA A 72 -10.864 1.805 4.930 1.00 0.00 N ATOM 1023 CA ALA A 72 -10.937 1.404 6.328 1.00 0.00 C ATOM 1024 C ALA A 72 -9.808 0.445 6.685 1.00 0.00 C ATOM 1025 O ALA A 72 -9.207 0.548 7.756 1.00 0.00 O ATOM 1026 CB ALA A 72 -12.286 0.765 6.623 1.00 0.00 C ATOM 0 H ALA A 72 -11.685 1.554 4.379 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.827 2.298 6.942 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -12.327 0.470 7.671 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.081 1.481 6.416 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.417 -0.115 5.993 1.00 0.00 H new ATOM 1032 N ALA A 73 -9.529 -0.491 5.786 1.00 0.00 N ATOM 1033 CA ALA A 73 -8.479 -1.476 6.006 1.00 0.00 C ATOM 1034 C ALA A 73 -7.095 -0.841 5.907 1.00 0.00 C ATOM 1035 O ALA A 73 -6.202 -1.168 6.685 1.00 0.00 O ATOM 1036 CB ALA A 73 -8.610 -2.620 5.013 1.00 0.00 C ATOM 0 H ALA A 73 -10.017 -0.588 4.896 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.595 -1.871 7.015 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.818 -3.348 5.190 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.580 -3.101 5.138 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -8.526 -2.232 3.998 1.00 0.00 H new ATOM 1042 N ALA A 74 -6.920 0.056 4.939 1.00 0.00 N ATOM 1043 CA ALA A 74 -5.639 0.728 4.728 1.00 0.00 C ATOM 1044 C ALA A 74 -5.282 1.617 5.915 1.00 0.00 C ATOM 1045 O ALA A 74 -4.114 1.757 6.268 1.00 0.00 O ATOM 1046 CB ALA A 74 -5.668 1.551 3.445 1.00 0.00 C ATOM 0 H ALA A 74 -7.652 0.335 4.286 1.00 0.00 H new ATOM 0 HA ALA A 74 -4.872 -0.041 4.634 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.705 2.043 3.306 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.866 0.896 2.597 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.454 2.304 3.513 1.00 0.00 H new ATOM 1052 N LYS A 75 -6.299 2.190 6.546 1.00 0.00 N ATOM 1053 CA LYS A 75 -6.098 3.039 7.715 1.00 0.00 C ATOM 1054 C LYS A 75 -5.609 2.220 8.904 1.00 0.00 C ATOM 1055 O LYS A 75 -4.970 2.741 9.816 1.00 0.00 O ATOM 1056 CB LYS A 75 -7.398 3.752 8.075 1.00 0.00 C ATOM 1057 CG LYS A 75 -7.621 5.036 7.296 1.00 0.00 C ATOM 1058 CD LYS A 75 -8.860 5.770 7.776 1.00 0.00 C ATOM 1059 CE LYS A 75 -9.148 6.992 6.919 1.00 0.00 C ATOM 1060 NZ LYS A 75 -10.402 7.671 7.327 1.00 0.00 N ATOM 0 H LYS A 75 -7.274 2.082 6.267 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.337 3.780 7.471 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.235 3.077 7.895 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.395 3.979 9.141 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.750 5.683 7.402 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.721 4.806 6.235 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.716 5.096 7.751 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.725 6.075 8.814 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -8.316 7.692 6.993 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -9.221 6.693 5.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.562 8.499 6.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.201 7.012 7.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.324 7.979 8.317 1.00 0.00 H new ATOM 1074 N LEU A 76 -5.907 0.932 8.878 1.00 0.00 N ATOM 1075 CA LEU A 76 -5.495 0.027 9.940 1.00 0.00 C ATOM 1076 C LEU A 76 -4.309 -0.820 9.492 1.00 0.00 C ATOM 1077 O LEU A 76 -3.873 -1.724 10.207 1.00 0.00 O ATOM 1078 CB LEU A 76 -6.661 -0.877 10.340 1.00 0.00 C ATOM 1079 CG LEU A 76 -7.044 -0.830 11.817 1.00 0.00 C ATOM 1080 CD1 LEU A 76 -8.541 -0.626 11.973 1.00 0.00 C ATOM 1081 CD2 LEU A 76 -6.604 -2.106 12.519 1.00 0.00 C ATOM 0 H LEU A 76 -6.436 0.486 8.128 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.192 0.621 10.802 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -7.533 -0.602 9.746 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -6.409 -1.905 10.079 1.00 0.00 H new ATOM 0 HG LEU A 76 -6.533 0.014 12.280 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -8.796 -0.595 13.032 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -8.831 0.313 11.502 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.072 -1.450 11.496 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.884 -2.057 13.571 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.090 -2.963 12.053 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.522 -2.213 12.436 1.00 0.00 H new ATOM 1093 N ALA A 77 -3.823 -0.555 8.286 1.00 0.00 N ATOM 1094 CA ALA A 77 -2.726 -1.323 7.716 1.00 0.00 C ATOM 1095 C ALA A 77 -1.402 -0.973 8.386 1.00 0.00 C ATOM 1096 O ALA A 77 -1.184 0.164 8.809 1.00 0.00 O ATOM 1097 CB ALA A 77 -2.637 -1.094 6.214 1.00 0.00 C ATOM 0 H ALA A 77 -4.173 0.189 7.683 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.927 -2.379 7.897 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.811 -1.676 5.805 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.569 -1.406 5.743 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.467 -0.036 6.017 1.00 0.00 H new ATOM 1103 N LYS A 78 -0.533 -1.965 8.503 1.00 0.00 N ATOM 1104 CA LYS A 78 0.758 -1.778 9.147 1.00 0.00 C ATOM 1105 C LYS A 78 1.777 -1.207 8.166 1.00 0.00 C ATOM 1106 O LYS A 78 2.547 -1.945 7.554 1.00 0.00 O ATOM 1107 CB LYS A 78 1.266 -3.104 9.728 1.00 0.00 C ATOM 1108 CG LYS A 78 0.937 -4.317 8.871 1.00 0.00 C ATOM 1109 CD LYS A 78 2.053 -5.346 8.910 1.00 0.00 C ATOM 1110 CE LYS A 78 2.537 -5.695 7.512 1.00 0.00 C ATOM 1111 NZ LYS A 78 3.789 -6.493 7.550 1.00 0.00 N ATOM 0 H LYS A 78 -0.699 -2.911 8.159 1.00 0.00 H new ATOM 0 HA LYS A 78 0.629 -1.065 9.962 1.00 0.00 H new ATOM 0 HB2 LYS A 78 2.347 -3.043 9.855 1.00 0.00 H new ATOM 0 HB3 LYS A 78 0.835 -3.244 10.720 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.010 -4.771 9.222 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.768 -4.001 7.842 1.00 0.00 H new ATOM 0 HD2 LYS A 78 2.885 -4.960 9.499 1.00 0.00 H new ATOM 0 HD3 LYS A 78 1.700 -6.248 9.410 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.763 -6.256 6.988 1.00 0.00 H new ATOM 0 HE3 LYS A 78 2.706 -4.779 6.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 4.090 -6.713 6.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 4.534 -5.947 8.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 3.621 -7.378 8.069 1.00 0.00 H new ATOM 1125 N ILE A 79 1.797 0.111 8.048 1.00 0.00 N ATOM 1126 CA ILE A 79 2.750 0.789 7.181 1.00 0.00 C ATOM 1127 C ILE A 79 3.840 1.445 8.020 1.00 0.00 C ATOM 1128 O ILE A 79 3.575 2.373 8.787 1.00 0.00 O ATOM 1129 CB ILE A 79 2.069 1.851 6.293 1.00 0.00 C ATOM 1130 CG1 ILE A 79 0.688 1.370 5.842 1.00 0.00 C ATOM 1131 CG2 ILE A 79 2.939 2.161 5.083 1.00 0.00 C ATOM 1132 CD1 ILE A 79 -0.388 2.427 5.951 1.00 0.00 C ATOM 0 H ILE A 79 1.161 0.736 8.544 1.00 0.00 H new ATOM 0 HA ILE A 79 3.188 0.037 6.524 1.00 0.00 H new ATOM 0 HB ILE A 79 1.943 2.762 6.879 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.750 1.033 4.807 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.400 0.507 6.442 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.447 2.912 4.464 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.904 2.541 5.417 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.089 1.252 4.500 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.339 2.014 5.614 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.479 2.748 6.989 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.123 3.282 5.329 1.00 0.00 H new ATOM 1144 N PRO A 80 5.057 0.891 7.965 1.00 0.00 N ATOM 1145 CA PRO A 80 6.175 1.338 8.799 1.00 0.00 C ATOM 1146 C PRO A 80 6.727 2.693 8.369 1.00 0.00 C ATOM 1147 O PRO A 80 6.585 3.096 7.212 1.00 0.00 O ATOM 1148 CB PRO A 80 7.242 0.249 8.602 1.00 0.00 C ATOM 1149 CG PRO A 80 6.541 -0.892 7.945 1.00 0.00 C ATOM 1150 CD PRO A 80 5.409 -0.290 7.167 1.00 0.00 C ATOM 0 HA PRO A 80 5.865 1.470 9.836 1.00 0.00 H new ATOM 0 HB2 PRO A 80 8.062 0.613 7.983 1.00 0.00 H new ATOM 0 HB3 PRO A 80 7.673 -0.054 9.556 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.217 -1.440 7.289 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.172 -1.601 8.686 1.00 0.00 H new ATOM 0 HD2 PRO A 80 5.712 -0.019 6.156 1.00 0.00 H new ATOM 0 HD3 PRO A 80 4.570 -0.980 7.074 1.00 0.00 H new ATOM 1158 N LYS A 81 7.431 3.344 9.290 1.00 0.00 N ATOM 1159 CA LYS A 81 8.101 4.606 9.004 1.00 0.00 C ATOM 1160 C LYS A 81 9.276 4.357 8.064 1.00 0.00 C ATOM 1161 O LYS A 81 10.167 3.570 8.384 1.00 0.00 O ATOM 1162 CB LYS A 81 8.594 5.248 10.306 1.00 0.00 C ATOM 1163 CG LYS A 81 8.301 6.737 10.407 1.00 0.00 C ATOM 1164 CD LYS A 81 8.035 7.164 11.844 1.00 0.00 C ATOM 1165 CE LYS A 81 6.652 6.732 12.315 1.00 0.00 C ATOM 1166 NZ LYS A 81 5.942 7.820 13.037 1.00 0.00 N ATOM 0 H LYS A 81 7.552 3.014 10.248 1.00 0.00 H new ATOM 0 HA LYS A 81 7.396 5.286 8.526 1.00 0.00 H new ATOM 0 HB2 LYS A 81 8.129 4.738 11.150 1.00 0.00 H new ATOM 0 HB3 LYS A 81 9.669 5.092 10.392 1.00 0.00 H new ATOM 0 HG2 LYS A 81 9.145 7.301 10.010 1.00 0.00 H new ATOM 0 HG3 LYS A 81 7.436 6.980 9.789 1.00 0.00 H new ATOM 0 HD2 LYS A 81 8.793 6.733 12.498 1.00 0.00 H new ATOM 0 HD3 LYS A 81 8.124 8.247 11.924 1.00 0.00 H new ATOM 0 HE2 LYS A 81 6.058 6.420 11.456 1.00 0.00 H new ATOM 0 HE3 LYS A 81 6.747 5.865 12.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 5.163 7.416 13.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 6.606 8.306 13.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 5.559 8.501 12.350 1.00 0.00 H new ATOM 1180 N PRO A 82 9.237 4.943 6.855 1.00 0.00 N ATOM 1181 CA PRO A 82 10.251 4.701 5.822 1.00 0.00 C ATOM 1182 C PRO A 82 11.633 5.216 6.217 1.00 0.00 C ATOM 1183 O PRO A 82 11.872 6.425 6.264 1.00 0.00 O ATOM 1184 CB PRO A 82 9.721 5.469 4.603 1.00 0.00 C ATOM 1185 CG PRO A 82 8.273 5.682 4.877 1.00 0.00 C ATOM 1186 CD PRO A 82 8.156 5.809 6.366 1.00 0.00 C ATOM 0 HA PRO A 82 10.390 3.635 5.643 1.00 0.00 H new ATOM 0 HB2 PRO A 82 10.242 6.418 4.478 1.00 0.00 H new ATOM 0 HB3 PRO A 82 9.869 4.901 3.685 1.00 0.00 H new ATOM 0 HG2 PRO A 82 7.908 6.580 4.378 1.00 0.00 H new ATOM 0 HG3 PRO A 82 7.678 4.847 4.507 1.00 0.00 H new ATOM 0 HD2 PRO A 82 8.284 6.840 6.695 1.00 0.00 H new ATOM 0 HD3 PRO A 82 7.181 5.479 6.724 1.00 0.00 H new ATOM 1194 N PRO A 83 12.569 4.298 6.488 1.00 0.00 N ATOM 1195 CA PRO A 83 13.933 4.656 6.852 1.00 0.00 C ATOM 1196 C PRO A 83 14.792 4.945 5.623 1.00 0.00 C ATOM 1197 O PRO A 83 15.572 5.899 5.604 1.00 0.00 O ATOM 1198 CB PRO A 83 14.434 3.416 7.592 1.00 0.00 C ATOM 1199 CG PRO A 83 13.639 2.271 7.046 1.00 0.00 C ATOM 1200 CD PRO A 83 12.374 2.838 6.441 1.00 0.00 C ATOM 0 HA PRO A 83 13.981 5.566 7.450 1.00 0.00 H new ATOM 0 HB2 PRO A 83 15.501 3.266 7.427 1.00 0.00 H new ATOM 0 HB3 PRO A 83 14.289 3.516 8.668 1.00 0.00 H new ATOM 0 HG2 PRO A 83 14.214 1.730 6.294 1.00 0.00 H new ATOM 0 HG3 PRO A 83 13.400 1.560 7.837 1.00 0.00 H new ATOM 0 HD2 PRO A 83 12.231 2.489 5.418 1.00 0.00 H new ATOM 0 HD3 PRO A 83 11.493 2.536 7.007 1.00 0.00 H new ATOM 1208 N SER A 84 14.609 4.136 4.588 1.00 0.00 N ATOM 1209 CA SER A 84 15.317 4.306 3.334 1.00 0.00 C ATOM 1210 C SER A 84 14.733 5.477 2.551 1.00 0.00 C ATOM 1211 O SER A 84 13.535 5.504 2.255 1.00 0.00 O ATOM 1212 CB SER A 84 15.221 3.015 2.522 1.00 0.00 C ATOM 1213 OG SER A 84 14.476 2.034 3.232 1.00 0.00 O ATOM 0 H SER A 84 13.965 3.345 4.598 1.00 0.00 H new ATOM 0 HA SER A 84 16.366 4.524 3.536 1.00 0.00 H new ATOM 0 HB2 SER A 84 14.746 3.217 1.562 1.00 0.00 H new ATOM 0 HB3 SER A 84 16.221 2.637 2.309 1.00 0.00 H new ATOM 0 HG SER A 84 13.518 2.195 3.104 1.00 0.00 H new ATOM 1219 N GLN A 85 15.567 6.468 2.269 1.00 0.00 N ATOM 1220 CA GLN A 85 15.125 7.673 1.582 1.00 0.00 C ATOM 1221 C GLN A 85 14.672 7.355 0.163 1.00 0.00 C ATOM 1222 O GLN A 85 13.731 7.965 -0.345 1.00 0.00 O ATOM 1223 CB GLN A 85 16.241 8.718 1.566 1.00 0.00 C ATOM 1224 CG GLN A 85 16.645 9.195 2.954 1.00 0.00 C ATOM 1225 CD GLN A 85 15.459 9.656 3.778 1.00 0.00 C ATOM 1226 OE1 GLN A 85 14.877 10.707 3.512 1.00 0.00 O ATOM 1227 NE2 GLN A 85 15.087 8.873 4.780 1.00 0.00 N ATOM 0 H GLN A 85 16.559 6.460 2.507 1.00 0.00 H new ATOM 0 HA GLN A 85 14.273 8.081 2.126 1.00 0.00 H new ATOM 0 HB2 GLN A 85 17.114 8.298 1.066 1.00 0.00 H new ATOM 0 HB3 GLN A 85 15.917 9.575 0.976 1.00 0.00 H new ATOM 0 HG2 GLN A 85 17.155 8.387 3.478 1.00 0.00 H new ATOM 0 HG3 GLN A 85 17.358 10.014 2.860 1.00 0.00 H new ATOM 0 HE21 GLN A 85 15.596 8.009 4.968 1.00 0.00 H new ATOM 0 HE22 GLN A 85 14.292 9.134 5.363 1.00 0.00 H new ATOM 1236 N ALA A 86 15.295 6.351 -0.447 1.00 0.00 N ATOM 1237 CA ALA A 86 14.899 5.905 -1.777 1.00 0.00 C ATOM 1238 C ALA A 86 13.456 5.411 -1.771 1.00 0.00 C ATOM 1239 O ALA A 86 12.701 5.651 -2.710 1.00 0.00 O ATOM 1240 CB ALA A 86 15.829 4.807 -2.269 1.00 0.00 C ATOM 0 H ALA A 86 16.074 5.832 -0.042 1.00 0.00 H new ATOM 0 HA ALA A 86 14.971 6.754 -2.457 1.00 0.00 H new ATOM 0 HB1 ALA A 86 15.519 4.486 -3.263 1.00 0.00 H new ATOM 0 HB2 ALA A 86 16.850 5.187 -2.312 1.00 0.00 H new ATOM 0 HB3 ALA A 86 15.786 3.960 -1.584 1.00 0.00 H new ATOM 1246 N VAL A 87 13.071 4.766 -0.678 1.00 0.00 N ATOM 1247 CA VAL A 87 11.707 4.280 -0.508 1.00 0.00 C ATOM 1248 C VAL A 87 10.736 5.450 -0.355 1.00 0.00 C ATOM 1249 O VAL A 87 9.701 5.502 -1.020 1.00 0.00 O ATOM 1250 CB VAL A 87 11.603 3.344 0.723 1.00 0.00 C ATOM 1251 CG1 VAL A 87 10.154 3.125 1.142 1.00 0.00 C ATOM 1252 CG2 VAL A 87 12.286 2.013 0.439 1.00 0.00 C ATOM 0 H VAL A 87 13.688 4.566 0.109 1.00 0.00 H new ATOM 0 HA VAL A 87 11.440 3.713 -1.399 1.00 0.00 H new ATOM 0 HB VAL A 87 12.115 3.831 1.553 1.00 0.00 H new ATOM 0 HG11 VAL A 87 10.122 2.464 2.008 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.701 4.082 1.399 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.602 2.672 0.319 1.00 0.00 H new ATOM 0 HG21 VAL A 87 12.204 1.368 1.314 1.00 0.00 H new ATOM 0 HG22 VAL A 87 11.806 1.532 -0.413 1.00 0.00 H new ATOM 0 HG23 VAL A 87 13.338 2.185 0.213 1.00 0.00 H new ATOM 1262 N TYR A 88 11.082 6.379 0.528 1.00 0.00 N ATOM 1263 CA TYR A 88 10.247 7.544 0.791 1.00 0.00 C ATOM 1264 C TYR A 88 10.068 8.393 -0.471 1.00 0.00 C ATOM 1265 O TYR A 88 8.999 8.955 -0.702 1.00 0.00 O ATOM 1266 CB TYR A 88 10.855 8.363 1.951 1.00 0.00 C ATOM 1267 CG TYR A 88 10.981 9.854 1.698 1.00 0.00 C ATOM 1268 CD1 TYR A 88 9.896 10.707 1.871 1.00 0.00 C ATOM 1269 CD2 TYR A 88 12.188 10.406 1.286 1.00 0.00 C ATOM 1270 CE1 TYR A 88 10.013 12.064 1.641 1.00 0.00 C ATOM 1271 CE2 TYR A 88 12.311 11.761 1.053 1.00 0.00 C ATOM 1272 CZ TYR A 88 11.222 12.585 1.230 1.00 0.00 C ATOM 1273 OH TYR A 88 11.341 13.938 0.991 1.00 0.00 O ATOM 0 H TYR A 88 11.941 6.347 1.077 1.00 0.00 H new ATOM 0 HA TYR A 88 9.253 7.210 1.088 1.00 0.00 H new ATOM 0 HB2 TYR A 88 10.242 8.213 2.840 1.00 0.00 H new ATOM 0 HB3 TYR A 88 11.845 7.965 2.175 1.00 0.00 H new ATOM 0 HD1 TYR A 88 8.947 10.302 2.190 1.00 0.00 H new ATOM 0 HD2 TYR A 88 13.045 9.764 1.146 1.00 0.00 H new ATOM 0 HE1 TYR A 88 9.162 12.714 1.782 1.00 0.00 H new ATOM 0 HE2 TYR A 88 13.257 12.173 0.733 1.00 0.00 H new ATOM 0 HH TYR A 88 12.258 14.141 0.710 1.00 0.00 H new ATOM 1283 N GLU A 89 11.123 8.502 -1.268 1.00 0.00 N ATOM 1284 CA GLU A 89 11.083 9.314 -2.480 1.00 0.00 C ATOM 1285 C GLU A 89 10.224 8.667 -3.562 1.00 0.00 C ATOM 1286 O GLU A 89 9.561 9.361 -4.334 1.00 0.00 O ATOM 1287 CB GLU A 89 12.497 9.555 -3.005 1.00 0.00 C ATOM 1288 CG GLU A 89 13.183 10.744 -2.357 1.00 0.00 C ATOM 1289 CD GLU A 89 12.986 12.028 -3.135 1.00 0.00 C ATOM 1290 OE1 GLU A 89 11.846 12.538 -3.181 1.00 0.00 O ATOM 1291 OE2 GLU A 89 13.978 12.540 -3.696 1.00 0.00 O ATOM 0 H GLU A 89 12.016 8.040 -1.099 1.00 0.00 H new ATOM 0 HA GLU A 89 10.629 10.271 -2.221 1.00 0.00 H new ATOM 0 HB2 GLU A 89 13.097 8.661 -2.836 1.00 0.00 H new ATOM 0 HB3 GLU A 89 12.455 9.711 -4.083 1.00 0.00 H new ATOM 0 HG2 GLU A 89 12.797 10.874 -1.346 1.00 0.00 H new ATOM 0 HG3 GLU A 89 14.250 10.538 -2.267 1.00 0.00 H new ATOM 1298 N VAL A 90 10.214 7.343 -3.605 1.00 0.00 N ATOM 1299 CA VAL A 90 9.402 6.624 -4.578 1.00 0.00 C ATOM 1300 C VAL A 90 7.933 6.661 -4.166 1.00 0.00 C ATOM 1301 O VAL A 90 7.039 6.806 -5.002 1.00 0.00 O ATOM 1302 CB VAL A 90 9.866 5.156 -4.734 1.00 0.00 C ATOM 1303 CG1 VAL A 90 8.841 4.332 -5.504 1.00 0.00 C ATOM 1304 CG2 VAL A 90 11.218 5.096 -5.427 1.00 0.00 C ATOM 0 H VAL A 90 10.756 6.746 -2.981 1.00 0.00 H new ATOM 0 HA VAL A 90 9.523 7.120 -5.541 1.00 0.00 H new ATOM 0 HB VAL A 90 9.963 4.728 -3.736 1.00 0.00 H new ATOM 0 HG11 VAL A 90 9.195 3.305 -5.597 1.00 0.00 H new ATOM 0 HG12 VAL A 90 7.891 4.341 -4.969 1.00 0.00 H new ATOM 0 HG13 VAL A 90 8.702 4.760 -6.497 1.00 0.00 H new ATOM 0 HG21 VAL A 90 11.529 4.056 -5.528 1.00 0.00 H new ATOM 0 HG22 VAL A 90 11.141 5.550 -6.415 1.00 0.00 H new ATOM 0 HG23 VAL A 90 11.955 5.639 -4.835 1.00 0.00 H new ATOM 1314 N PHE A 91 7.691 6.557 -2.866 1.00 0.00 N ATOM 1315 CA PHE A 91 6.336 6.593 -2.332 1.00 0.00 C ATOM 1316 C PHE A 91 5.806 8.023 -2.239 1.00 0.00 C ATOM 1317 O PHE A 91 4.752 8.269 -1.651 1.00 0.00 O ATOM 1318 CB PHE A 91 6.292 5.926 -0.961 1.00 0.00 C ATOM 1319 CG PHE A 91 6.070 4.444 -1.033 1.00 0.00 C ATOM 1320 CD1 PHE A 91 4.810 3.931 -1.293 1.00 0.00 C ATOM 1321 CD2 PHE A 91 7.122 3.564 -0.842 1.00 0.00 C ATOM 1322 CE1 PHE A 91 4.604 2.568 -1.364 1.00 0.00 C ATOM 1323 CE2 PHE A 91 6.922 2.200 -0.911 1.00 0.00 C ATOM 1324 CZ PHE A 91 5.661 1.701 -1.170 1.00 0.00 C ATOM 0 H PHE A 91 8.418 6.447 -2.159 1.00 0.00 H new ATOM 0 HA PHE A 91 5.693 6.044 -3.020 1.00 0.00 H new ATOM 0 HB2 PHE A 91 7.228 6.122 -0.438 1.00 0.00 H new ATOM 0 HB3 PHE A 91 5.496 6.378 -0.369 1.00 0.00 H new ATOM 0 HD1 PHE A 91 3.979 4.605 -1.442 1.00 0.00 H new ATOM 0 HD2 PHE A 91 8.110 3.949 -0.637 1.00 0.00 H new ATOM 0 HE1 PHE A 91 3.617 2.180 -1.571 1.00 0.00 H new ATOM 0 HE2 PHE A 91 7.751 1.524 -0.763 1.00 0.00 H new ATOM 0 HZ PHE A 91 5.502 0.634 -1.221 1.00 0.00 H new ATOM 1334 N LYS A 92 6.498 8.947 -2.893 1.00 0.00 N ATOM 1335 CA LYS A 92 6.052 10.330 -2.962 1.00 0.00 C ATOM 1336 C LYS A 92 4.818 10.440 -3.846 1.00 0.00 C ATOM 1337 O LYS A 92 3.992 11.334 -3.671 1.00 0.00 O ATOM 1338 CB LYS A 92 7.170 11.217 -3.507 1.00 0.00 C ATOM 1339 CG LYS A 92 7.474 12.430 -2.644 1.00 0.00 C ATOM 1340 CD LYS A 92 7.756 12.044 -1.201 1.00 0.00 C ATOM 1341 CE LYS A 92 6.640 12.497 -0.278 1.00 0.00 C ATOM 1342 NZ LYS A 92 6.262 13.915 -0.514 1.00 0.00 N ATOM 0 H LYS A 92 7.373 8.762 -3.384 1.00 0.00 H new ATOM 0 HA LYS A 92 5.795 10.666 -1.957 1.00 0.00 H new ATOM 0 HB2 LYS A 92 8.076 10.620 -3.609 1.00 0.00 H new ATOM 0 HB3 LYS A 92 6.897 11.555 -4.507 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.335 12.960 -3.053 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.630 13.119 -2.677 1.00 0.00 H new ATOM 0 HD2 LYS A 92 7.874 10.963 -1.128 1.00 0.00 H new ATOM 0 HD3 LYS A 92 8.698 12.489 -0.881 1.00 0.00 H new ATOM 0 HE2 LYS A 92 5.768 11.860 -0.425 1.00 0.00 H new ATOM 0 HE3 LYS A 92 6.954 12.373 0.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 5.904 14.330 0.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 7.096 14.448 -0.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 5.522 13.960 -1.243 1.00 0.00 H new ATOM 1356 N ASN A 93 4.662 9.460 -4.727 1.00 0.00 N ATOM 1357 CA ASN A 93 3.485 9.350 -5.575 1.00 0.00 C ATOM 1358 C ASN A 93 3.390 7.930 -6.116 1.00 0.00 C ATOM 1359 O ASN A 93 3.763 7.651 -7.260 1.00 0.00 O ATOM 1360 CB ASN A 93 3.530 10.363 -6.727 1.00 0.00 C ATOM 1361 CG ASN A 93 2.338 10.237 -7.668 1.00 0.00 C ATOM 1362 OD1 ASN A 93 1.187 10.145 -7.235 1.00 0.00 O ATOM 1363 ND2 ASN A 93 2.606 10.227 -8.968 1.00 0.00 N ATOM 0 H ASN A 93 5.349 8.720 -4.873 1.00 0.00 H new ATOM 0 HA ASN A 93 2.601 9.575 -4.979 1.00 0.00 H new ATOM 0 HB2 ASN A 93 3.559 11.372 -6.317 1.00 0.00 H new ATOM 0 HB3 ASN A 93 4.451 10.223 -7.293 1.00 0.00 H new ATOM 0 HD21 ASN A 93 1.847 10.141 -9.644 1.00 0.00 H new ATOM 0 HD22 ASN A 93 3.571 10.305 -9.290 1.00 0.00 H new ATOM 1370 N ALA A 94 2.926 7.027 -5.268 1.00 0.00 N ATOM 1371 CA ALA A 94 2.810 5.625 -5.631 1.00 0.00 C ATOM 1372 C ALA A 94 1.419 5.108 -5.298 1.00 0.00 C ATOM 1373 O ALA A 94 1.204 4.517 -4.244 1.00 0.00 O ATOM 1374 CB ALA A 94 3.872 4.802 -4.918 1.00 0.00 C ATOM 0 H ALA A 94 2.622 7.242 -4.318 1.00 0.00 H new ATOM 0 HA ALA A 94 2.966 5.529 -6.705 1.00 0.00 H new ATOM 0 HB1 ALA A 94 3.771 3.754 -5.201 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.861 5.161 -5.202 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.746 4.900 -3.840 1.00 0.00 H new ATOM 1380 N PRO A 95 0.439 5.379 -6.170 1.00 0.00 N ATOM 1381 CA PRO A 95 -0.953 4.997 -5.939 1.00 0.00 C ATOM 1382 C PRO A 95 -1.162 3.501 -6.109 1.00 0.00 C ATOM 1383 O PRO A 95 -0.545 2.871 -6.970 1.00 0.00 O ATOM 1384 CB PRO A 95 -1.729 5.771 -7.015 1.00 0.00 C ATOM 1385 CG PRO A 95 -0.759 6.761 -7.567 1.00 0.00 C ATOM 1386 CD PRO A 95 0.591 6.131 -7.416 1.00 0.00 C ATOM 0 HA PRO A 95 -1.277 5.226 -4.924 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -2.094 5.102 -7.794 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -2.600 6.269 -6.589 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -0.975 6.979 -8.613 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -0.813 7.706 -7.026 1.00 0.00 H new ATOM 0 HD2 PRO A 95 0.835 5.482 -8.257 1.00 0.00 H new ATOM 0 HD3 PRO A 95 1.384 6.876 -7.349 1.00 0.00 H new ATOM 1394 N LEU A 96 -1.990 2.929 -5.257 1.00 0.00 N ATOM 1395 CA LEU A 96 -2.227 1.499 -5.281 1.00 0.00 C ATOM 1396 C LEU A 96 -3.501 1.163 -6.041 1.00 0.00 C ATOM 1397 O LEU A 96 -4.587 1.633 -5.695 1.00 0.00 O ATOM 1398 CB LEU A 96 -2.315 0.954 -3.853 1.00 0.00 C ATOM 1399 CG LEU A 96 -1.023 1.052 -3.040 1.00 0.00 C ATOM 1400 CD1 LEU A 96 -1.327 1.025 -1.551 1.00 0.00 C ATOM 1401 CD2 LEU A 96 -0.071 -0.075 -3.412 1.00 0.00 C ATOM 0 H LEU A 96 -2.510 3.433 -4.539 1.00 0.00 H new ATOM 0 HA LEU A 96 -1.389 1.030 -5.796 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.101 1.492 -3.323 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -2.619 -0.092 -3.898 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.540 2.000 -3.275 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.396 1.096 -0.988 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.970 1.867 -1.296 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.833 0.093 -1.300 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.842 0.011 -2.824 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.545 -1.035 -3.207 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.173 -0.010 -4.472 1.00 0.00 H new ATOM 1413 N ASP A 97 -3.380 0.235 -6.971 1.00 0.00 N ATOM 1414 CA ASP A 97 -4.536 -0.309 -7.663 1.00 0.00 C ATOM 1415 C ASP A 97 -4.913 -1.618 -6.996 1.00 0.00 C ATOM 1416 O ASP A 97 -4.229 -2.629 -7.166 1.00 0.00 O ATOM 1417 CB ASP A 97 -4.225 -0.531 -9.144 1.00 0.00 C ATOM 1418 CG ASP A 97 -5.425 -1.029 -9.923 1.00 0.00 C ATOM 1419 OD1 ASP A 97 -6.326 -0.219 -10.211 1.00 0.00 O ATOM 1420 OD2 ASP A 97 -5.461 -2.229 -10.271 1.00 0.00 O ATOM 0 H ASP A 97 -2.488 -0.161 -7.267 1.00 0.00 H new ATOM 0 HA ASP A 97 -5.368 0.393 -7.605 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -3.875 0.404 -9.582 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -3.412 -1.251 -9.237 1.00 0.00 H new ATOM 1425 N PHE A 98 -5.854 -1.543 -6.074 1.00 0.00 N ATOM 1426 CA PHE A 98 -6.134 -2.666 -5.207 1.00 0.00 C ATOM 1427 C PHE A 98 -7.409 -3.390 -5.602 1.00 0.00 C ATOM 1428 O PHE A 98 -8.457 -2.780 -5.807 1.00 0.00 O ATOM 1429 CB PHE A 98 -6.229 -2.202 -3.751 1.00 0.00 C ATOM 1430 CG PHE A 98 -5.992 -3.302 -2.755 1.00 0.00 C ATOM 1431 CD1 PHE A 98 -4.731 -3.856 -2.601 1.00 0.00 C ATOM 1432 CD2 PHE A 98 -7.030 -3.783 -1.975 1.00 0.00 C ATOM 1433 CE1 PHE A 98 -4.512 -4.869 -1.689 1.00 0.00 C ATOM 1434 CE2 PHE A 98 -6.817 -4.797 -1.063 1.00 0.00 C ATOM 1435 CZ PHE A 98 -5.556 -5.341 -0.918 1.00 0.00 C ATOM 0 H PHE A 98 -6.433 -0.720 -5.908 1.00 0.00 H new ATOM 0 HA PHE A 98 -5.308 -3.369 -5.313 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -5.502 -1.408 -3.583 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -7.216 -1.773 -3.578 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -3.911 -3.491 -3.201 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -8.018 -3.360 -2.081 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -3.525 -5.292 -1.579 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -7.636 -5.165 -0.463 1.00 0.00 H new ATOM 0 HZ PHE A 98 -5.387 -6.133 -0.204 1.00 0.00 H new ATOM 1445 N LYS A 99 -7.336 -4.703 -5.528 1.00 0.00 N ATOM 1446 CA LYS A 99 -8.498 -5.551 -5.680 1.00 0.00 C ATOM 1447 C LYS A 99 -8.670 -6.339 -4.392 1.00 0.00 C ATOM 1448 O LYS A 99 -7.677 -6.622 -3.716 1.00 0.00 O ATOM 1449 CB LYS A 99 -8.328 -6.507 -6.868 1.00 0.00 C ATOM 1450 CG LYS A 99 -6.971 -6.421 -7.550 1.00 0.00 C ATOM 1451 CD LYS A 99 -7.112 -6.344 -9.061 1.00 0.00 C ATOM 1452 CE LYS A 99 -6.024 -5.481 -9.680 1.00 0.00 C ATOM 1453 NZ LYS A 99 -6.563 -4.569 -10.723 1.00 0.00 N ATOM 0 H LYS A 99 -6.468 -5.212 -5.361 1.00 0.00 H new ATOM 0 HA LYS A 99 -9.379 -4.940 -5.876 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -8.484 -7.529 -6.522 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -9.105 -6.297 -7.603 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -6.436 -5.543 -7.188 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -6.372 -7.292 -7.283 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -7.066 -7.348 -9.483 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -8.090 -5.936 -9.316 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -5.539 -4.894 -8.900 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -5.259 -6.121 -10.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -5.978 -3.711 -10.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.548 -5.049 -11.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.541 -4.308 -10.485 1.00 0.00 H new ATOM 1467 N PRO A 100 -9.909 -6.704 -4.022 1.00 0.00 N ATOM 1468 CA PRO A 100 -10.158 -7.469 -2.797 1.00 0.00 C ATOM 1469 C PRO A 100 -9.391 -8.784 -2.815 1.00 0.00 C ATOM 1470 O PRO A 100 -9.624 -9.633 -3.678 1.00 0.00 O ATOM 1471 CB PRO A 100 -11.670 -7.705 -2.804 1.00 0.00 C ATOM 1472 CG PRO A 100 -12.113 -7.422 -4.201 1.00 0.00 C ATOM 1473 CD PRO A 100 -11.148 -6.420 -4.759 1.00 0.00 C ATOM 0 HA PRO A 100 -9.827 -6.947 -1.899 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -11.908 -8.729 -2.517 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -12.173 -7.049 -2.093 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -12.115 -8.333 -4.799 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -13.130 -7.030 -4.214 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -11.015 -6.544 -5.834 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -11.489 -5.398 -4.596 1.00 0.00 H new