USER MOD reduce.3.24.130724 H: found=0, std=0, add=978, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 979 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 93 HIS : no HD1:sc= -1 X(o=-0.96,f=-0.65) USER MOD Set 1.2: A 141 LYS NZ :NH3+ 141:sc= 0.046 (180deg=-0.404) USER MOD Set 2.1: A 83 THR OG1 : rot 180:sc= -0.122 USER MOD Set 2.2: A 84 HIS : no HE2:sc= -0.374 X(o=-0.5,f=-0.32) USER MOD Set 3.1: A 23 THR OG1 : rot 47:sc= 0.00875 USER MOD Set 3.2: A 139 MET CE :methyl -154:sc= -1.88! (180deg=-3.08!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc=-0.000589 USER MOD Single : A 24 CYS SG : rot -178:sc= -2.06 USER MOD Single : A 28 GLN : amide:sc= -0.948 K(o=-0.95,f=-3.6!) USER MOD Single : A 35 GLN : amide:sc= -1.53 X(o=-1.5,f=-2) USER MOD Single : A 40 GLN : amide:sc= -0.0263 X(o=-0.026,f=-0.47) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.0472 X(o=-0.047,f=-0.14) USER MOD Single : A 65 GLN : amide:sc= -8.45! C(o=-8.5!,f=-12!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= -1.45 K(o=-1.4,f=0.085) USER MOD Single : A 99 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0546) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 0.0296 X(o=0.03,f=-0.054) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot -61:sc= 1.18 USER MOD Single : A 117 THR OG1 : rot 76:sc= 0.541 USER MOD Single : A 126 THR OG1 : rot 180:sc= 0.0982 USER MOD Single : A 127 GLN : amide:sc= -0.0506 K(o=-0.051,f=-0.56!) USER MOD Single : A 131 HIS : no HE2:sc= -0.354 K(o=-0.35,f=-1.4) USER MOD Single : A 132 THR OG1 : rot -18:sc= 0.825 USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 137 THR OG1 : rot 180:sc= 0 USER MOD Single : A 140 LYS NZ :NH3+ 144:sc= -0.263 (180deg=-0.837) USER MOD Single : A 146 TYR OH : rot 180:sc= 0 USER MOD Single : A 147 GLN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 207 N PRO A 16 2.967 -19.918 -1.253 1.00 0.00 N ATOM 208 CA PRO A 16 2.546 -18.672 -0.606 1.00 0.00 C ATOM 209 C PRO A 16 3.493 -18.251 0.513 1.00 0.00 C ATOM 210 O PRO A 16 3.631 -17.063 0.806 1.00 0.00 O ATOM 211 CB PRO A 16 1.167 -19.018 -0.037 1.00 0.00 C ATOM 212 CG PRO A 16 1.196 -20.496 0.154 1.00 0.00 C ATOM 213 CD PRO A 16 2.063 -21.038 -0.947 1.00 0.00 C ATOM 0 HA PRO A 16 2.538 -17.833 -1.302 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.986 -18.501 0.905 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.371 -18.723 -0.721 1.00 0.00 H new ATOM 0 HG2 PRO A 16 1.600 -20.755 1.133 1.00 0.00 H new ATOM 0 HG3 PRO A 16 0.192 -20.916 0.102 1.00 0.00 H new ATOM 0 HD2 PRO A 16 2.614 -21.922 -0.626 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.473 -21.328 -1.817 1.00 0.00 H new ATOM 221 N ARG A 17 4.141 -19.230 1.133 1.00 0.00 N ATOM 222 CA ARG A 17 5.075 -18.960 2.220 1.00 0.00 C ATOM 223 C ARG A 17 5.865 -17.683 1.953 1.00 0.00 C ATOM 224 O ARG A 17 5.795 -16.726 2.724 1.00 0.00 O ATOM 225 CB ARG A 17 6.035 -20.137 2.401 1.00 0.00 C ATOM 226 CG ARG A 17 5.340 -21.439 2.769 1.00 0.00 C ATOM 227 CD ARG A 17 6.305 -22.422 3.414 1.00 0.00 C ATOM 228 NE ARG A 17 6.416 -22.214 4.855 1.00 0.00 N ATOM 229 CZ ARG A 17 7.165 -22.970 5.651 1.00 0.00 C ATOM 230 NH1 ARG A 17 7.863 -23.979 5.148 1.00 0.00 N ATOM 231 NH2 ARG A 17 7.215 -22.717 6.953 1.00 0.00 N ATOM 0 H ARG A 17 4.037 -20.218 0.902 1.00 0.00 H new ATOM 0 HA ARG A 17 4.499 -18.826 3.135 1.00 0.00 H new ATOM 0 HB2 ARG A 17 6.596 -20.283 1.478 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.758 -19.889 3.178 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.517 -21.233 3.453 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.906 -21.887 1.875 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.969 -23.440 3.220 1.00 0.00 H new ATOM 0 HD3 ARG A 17 7.289 -22.318 2.956 1.00 0.00 H new ATOM 0 HE ARG A 17 5.890 -21.447 5.273 1.00 0.00 H new ATOM 0 HH11 ARG A 17 7.826 -24.176 4.148 1.00 0.00 H new ATOM 0 HH12 ARG A 17 8.437 -24.558 5.761 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.678 -21.942 7.343 1.00 0.00 H new ATOM 0 HH22 ARG A 17 7.790 -23.297 7.564 1.00 0.00 H new ATOM 245 N GLU A 18 6.616 -17.676 0.856 1.00 0.00 N ATOM 246 CA GLU A 18 7.421 -16.517 0.489 1.00 0.00 C ATOM 247 C GLU A 18 6.603 -15.529 -0.340 1.00 0.00 C ATOM 248 O GLU A 18 6.416 -15.717 -1.540 1.00 0.00 O ATOM 249 CB GLU A 18 8.659 -16.955 -0.295 1.00 0.00 C ATOM 250 CG GLU A 18 9.610 -17.828 0.507 1.00 0.00 C ATOM 251 CD GLU A 18 10.546 -18.632 -0.374 1.00 0.00 C ATOM 252 OE1 GLU A 18 10.988 -18.100 -1.413 1.00 0.00 O ATOM 253 OE2 GLU A 18 10.836 -19.795 -0.022 1.00 0.00 O ATOM 0 H GLU A 18 6.684 -18.460 0.206 1.00 0.00 H new ATOM 0 HA GLU A 18 7.739 -16.021 1.406 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.342 -17.500 -1.184 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.194 -16.069 -0.638 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.197 -17.199 1.176 1.00 0.00 H new ATOM 0 HG3 GLU A 18 9.033 -18.508 1.133 1.00 0.00 H new ATOM 260 N GLU A 19 6.121 -14.475 0.312 1.00 0.00 N ATOM 261 CA GLU A 19 5.324 -13.458 -0.364 1.00 0.00 C ATOM 262 C GLU A 19 5.620 -12.072 0.199 1.00 0.00 C ATOM 263 O GLU A 19 5.318 -11.782 1.358 1.00 0.00 O ATOM 264 CB GLU A 19 3.833 -13.771 -0.223 1.00 0.00 C ATOM 265 CG GLU A 19 3.324 -14.780 -1.238 1.00 0.00 C ATOM 266 CD GLU A 19 2.900 -14.132 -2.542 1.00 0.00 C ATOM 267 OE1 GLU A 19 2.527 -12.940 -2.520 1.00 0.00 O ATOM 268 OE2 GLU A 19 2.942 -14.817 -3.585 1.00 0.00 O ATOM 0 H GLU A 19 6.269 -14.303 1.307 1.00 0.00 H new ATOM 0 HA GLU A 19 5.591 -13.466 -1.421 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.644 -14.151 0.781 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.265 -12.846 -0.326 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.105 -15.514 -1.438 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.479 -15.322 -0.814 1.00 0.00 H new ATOM 275 N SER A 20 6.213 -11.217 -0.627 1.00 0.00 N ATOM 276 CA SER A 20 6.554 -9.862 -0.212 1.00 0.00 C ATOM 277 C SER A 20 5.877 -8.832 -1.110 1.00 0.00 C ATOM 278 O SER A 20 5.738 -9.038 -2.315 1.00 0.00 O ATOM 279 CB SER A 20 8.071 -9.663 -0.242 1.00 0.00 C ATOM 280 OG SER A 20 8.729 -10.636 0.550 1.00 0.00 O ATOM 0 H SER A 20 6.468 -11.439 -1.589 1.00 0.00 H new ATOM 0 HA SER A 20 6.196 -9.720 0.808 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.429 -9.724 -1.270 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.317 -8.666 0.123 1.00 0.00 H new ATOM 0 HG SER A 20 9.697 -10.488 0.513 1.00 0.00 H new ATOM 286 N SER A 21 5.458 -7.721 -0.513 1.00 0.00 N ATOM 287 CA SER A 21 4.791 -6.658 -1.257 1.00 0.00 C ATOM 288 C SER A 21 5.108 -5.292 -0.656 1.00 0.00 C ATOM 289 O SER A 21 5.422 -5.181 0.529 1.00 0.00 O ATOM 290 CB SER A 21 3.278 -6.885 -1.265 1.00 0.00 C ATOM 291 OG SER A 21 2.952 -8.135 -1.847 1.00 0.00 O ATOM 0 H SER A 21 5.568 -7.533 0.483 1.00 0.00 H new ATOM 0 HA SER A 21 5.161 -6.679 -2.282 1.00 0.00 H new ATOM 0 HB2 SER A 21 2.896 -6.845 -0.245 1.00 0.00 H new ATOM 0 HB3 SER A 21 2.790 -6.084 -1.820 1.00 0.00 H new ATOM 0 HG SER A 21 1.980 -8.256 -1.838 1.00 0.00 H new ATOM 297 N ALA A 22 5.026 -4.256 -1.483 1.00 0.00 N ATOM 298 CA ALA A 22 5.303 -2.896 -1.034 1.00 0.00 C ATOM 299 C ALA A 22 4.059 -2.019 -1.141 1.00 0.00 C ATOM 300 O ALA A 22 3.599 -1.707 -2.239 1.00 0.00 O ATOM 301 CB ALA A 22 6.445 -2.296 -1.840 1.00 0.00 C ATOM 0 H ALA A 22 4.770 -4.331 -2.468 1.00 0.00 H new ATOM 0 HA ALA A 22 5.597 -2.939 0.015 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.641 -1.281 -1.494 1.00 0.00 H new ATOM 0 HB2 ALA A 22 7.341 -2.903 -1.709 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.173 -2.273 -2.895 1.00 0.00 H new ATOM 307 N THR A 23 3.520 -1.624 0.008 1.00 0.00 N ATOM 308 CA THR A 23 2.329 -0.784 0.044 1.00 0.00 C ATOM 309 C THR A 23 2.668 0.634 0.488 1.00 0.00 C ATOM 310 O THR A 23 3.556 0.839 1.317 1.00 0.00 O ATOM 311 CB THR A 23 1.261 -1.365 0.990 1.00 0.00 C ATOM 312 OG1 THR A 23 0.136 -0.480 1.061 1.00 0.00 O ATOM 313 CG2 THR A 23 1.831 -1.582 2.383 1.00 0.00 C ATOM 0 H THR A 23 3.889 -1.872 0.926 1.00 0.00 H new ATOM 0 HA THR A 23 1.930 -0.758 -0.970 1.00 0.00 H new ATOM 0 HB THR A 23 0.941 -2.328 0.593 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.117 -0.200 0.157 1.00 0.00 H new ATOM 0 HG21 THR A 23 1.058 -1.993 3.033 1.00 0.00 H new ATOM 0 HG22 THR A 23 2.668 -2.279 2.329 1.00 0.00 H new ATOM 0 HG23 THR A 23 2.176 -0.630 2.787 1.00 0.00 H new ATOM 321 N CYS A 24 1.957 1.608 -0.067 1.00 0.00 N ATOM 322 CA CYS A 24 2.184 3.009 0.272 1.00 0.00 C ATOM 323 C CYS A 24 0.878 3.692 0.664 1.00 0.00 C ATOM 324 O CYS A 24 -0.207 3.214 0.335 1.00 0.00 O ATOM 325 CB CYS A 24 2.826 3.744 -0.906 1.00 0.00 C ATOM 326 SG CYS A 24 3.393 5.415 -0.513 1.00 0.00 S ATOM 0 H CYS A 24 1.218 1.454 -0.754 1.00 0.00 H new ATOM 0 HA CYS A 24 2.862 3.045 1.125 1.00 0.00 H new ATOM 0 HB2 CYS A 24 3.673 3.160 -1.267 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.106 3.799 -1.722 1.00 0.00 H new ATOM 0 HG CYS A 24 3.884 5.969 -1.582 1.00 0.00 H new ATOM 332 N VAL A 25 0.991 4.813 1.371 1.00 0.00 N ATOM 333 CA VAL A 25 -0.181 5.561 1.807 1.00 0.00 C ATOM 334 C VAL A 25 -0.242 6.929 1.136 1.00 0.00 C ATOM 335 O VAL A 25 0.539 7.825 1.456 1.00 0.00 O ATOM 336 CB VAL A 25 -0.187 5.752 3.336 1.00 0.00 C ATOM 337 CG1 VAL A 25 -1.365 6.616 3.763 1.00 0.00 C ATOM 338 CG2 VAL A 25 -0.220 4.405 4.041 1.00 0.00 C ATOM 0 H VAL A 25 1.882 5.222 1.653 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.055 4.978 1.516 1.00 0.00 H new ATOM 0 HB VAL A 25 0.731 6.265 3.624 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.352 6.739 4.846 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.292 7.593 3.286 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -2.296 6.135 3.464 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.224 4.559 5.120 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.120 3.863 3.749 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.660 3.826 3.760 1.00 0.00 H new ATOM 348 N LEU A 26 -1.174 7.081 0.203 1.00 0.00 N ATOM 349 CA LEU A 26 -1.339 8.341 -0.517 1.00 0.00 C ATOM 350 C LEU A 26 -2.350 9.241 0.187 1.00 0.00 C ATOM 351 O LEU A 26 -3.476 8.827 0.463 1.00 0.00 O ATOM 352 CB LEU A 26 -1.788 8.075 -1.955 1.00 0.00 C ATOM 353 CG LEU A 26 -2.305 9.287 -2.730 1.00 0.00 C ATOM 354 CD1 LEU A 26 -1.184 10.282 -2.977 1.00 0.00 C ATOM 355 CD2 LEU A 26 -2.932 8.849 -4.046 1.00 0.00 C ATOM 0 H LEU A 26 -1.828 6.349 -0.074 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.376 8.851 -0.533 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.948 7.649 -2.504 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.573 7.319 -1.936 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.071 9.778 -2.130 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.572 11.137 -3.530 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.780 10.620 -2.022 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.394 9.804 -3.556 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.295 9.724 -4.585 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.186 8.334 -4.651 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.765 8.175 -3.846 1.00 0.00 H new ATOM 367 N GLU A 27 -1.941 10.474 0.469 1.00 0.00 N ATOM 368 CA GLU A 27 -2.813 11.432 1.139 1.00 0.00 C ATOM 369 C GLU A 27 -2.525 12.854 0.664 1.00 0.00 C ATOM 370 O GLU A 27 -1.441 13.141 0.158 1.00 0.00 O ATOM 371 CB GLU A 27 -2.635 11.344 2.656 1.00 0.00 C ATOM 372 CG GLU A 27 -3.500 12.327 3.428 1.00 0.00 C ATOM 373 CD GLU A 27 -3.632 11.960 4.894 1.00 0.00 C ATOM 374 OE1 GLU A 27 -2.625 12.068 5.624 1.00 0.00 O ATOM 375 OE2 GLU A 27 -4.741 11.566 5.311 1.00 0.00 O ATOM 0 H GLU A 27 -1.013 10.833 0.244 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.844 11.184 0.887 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.870 10.331 2.983 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.588 11.523 2.902 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.072 13.326 3.344 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.491 12.366 2.976 1.00 0.00 H new ATOM 382 N GLN A 28 -3.505 13.736 0.829 1.00 0.00 N ATOM 383 CA GLN A 28 -3.357 15.126 0.416 1.00 0.00 C ATOM 384 C GLN A 28 -4.127 16.056 1.348 1.00 0.00 C ATOM 385 O GLN A 28 -5.140 15.682 1.940 1.00 0.00 O ATOM 386 CB GLN A 28 -3.846 15.308 -1.022 1.00 0.00 C ATOM 387 CG GLN A 28 -5.359 15.282 -1.158 1.00 0.00 C ATOM 388 CD GLN A 28 -5.900 13.886 -1.400 1.00 0.00 C ATOM 389 OE1 GLN A 28 -6.325 13.203 -0.468 1.00 0.00 O ATOM 390 NE2 GLN A 28 -5.886 13.455 -2.656 1.00 0.00 N ATOM 0 H GLN A 28 -4.409 13.513 1.245 1.00 0.00 H new ATOM 0 HA GLN A 28 -2.299 15.383 0.468 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -3.471 16.256 -1.407 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -3.420 14.521 -1.644 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.808 15.690 -0.252 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.657 15.931 -1.982 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.524 14.055 -3.397 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.237 12.524 -2.880 1.00 0.00 H new ATOM 399 N PRO A 29 -3.637 17.297 1.484 1.00 0.00 N ATOM 400 CA PRO A 29 -4.265 18.306 2.343 1.00 0.00 C ATOM 401 C PRO A 29 -5.601 18.788 1.790 1.00 0.00 C ATOM 402 O PRO A 29 -5.668 19.329 0.687 1.00 0.00 O ATOM 403 CB PRO A 29 -3.246 19.448 2.351 1.00 0.00 C ATOM 404 CG PRO A 29 -2.490 19.290 1.077 1.00 0.00 C ATOM 405 CD PRO A 29 -2.434 17.812 0.810 1.00 0.00 C ATOM 0 HA PRO A 29 -4.493 17.913 3.334 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -3.740 20.419 2.401 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -2.584 19.382 3.215 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.986 19.816 0.261 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.488 19.709 1.163 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -2.449 17.596 -0.258 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.525 17.365 1.213 1.00 0.00 H new ATOM 413 N GLY A 30 -6.664 18.589 2.565 1.00 0.00 N ATOM 414 CA GLY A 30 -7.984 19.011 2.135 1.00 0.00 C ATOM 415 C GLY A 30 -8.519 20.170 2.953 1.00 0.00 C ATOM 416 O GLY A 30 -7.749 20.985 3.461 1.00 0.00 O ATOM 0 H GLY A 30 -6.634 18.143 3.482 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.945 19.299 1.085 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.673 18.170 2.209 1.00 0.00 H new ATOM 420 N ALA A 31 -9.839 20.244 3.079 1.00 0.00 N ATOM 421 CA ALA A 31 -10.475 21.311 3.841 1.00 0.00 C ATOM 422 C ALA A 31 -10.618 20.927 5.310 1.00 0.00 C ATOM 423 O ALA A 31 -10.120 21.622 6.196 1.00 0.00 O ATOM 424 CB ALA A 31 -11.835 21.647 3.246 1.00 0.00 C ATOM 0 H ALA A 31 -10.489 19.577 2.663 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.838 22.194 3.784 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -12.298 22.446 3.825 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -11.710 21.973 2.214 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -12.472 20.763 3.272 1.00 0.00 H new ATOM 430 N LEU A 32 -11.303 19.816 5.561 1.00 0.00 N ATOM 431 CA LEU A 32 -11.513 19.339 6.924 1.00 0.00 C ATOM 432 C LEU A 32 -10.192 18.928 7.567 1.00 0.00 C ATOM 433 O LEU A 32 -9.918 19.266 8.718 1.00 0.00 O ATOM 434 CB LEU A 32 -12.484 18.157 6.927 1.00 0.00 C ATOM 435 CG LEU A 32 -13.878 18.432 6.363 1.00 0.00 C ATOM 436 CD1 LEU A 32 -14.619 17.129 6.111 1.00 0.00 C ATOM 437 CD2 LEU A 32 -14.669 19.323 7.308 1.00 0.00 C ATOM 0 H LEU A 32 -11.722 19.229 4.839 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.941 20.155 7.506 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -12.037 17.344 6.355 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.592 17.804 7.953 1.00 0.00 H new ATOM 0 HG LEU A 32 -13.768 18.953 5.412 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -15.609 17.345 5.710 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -14.061 16.526 5.395 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -14.719 16.580 7.047 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -15.659 19.508 6.890 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -14.770 18.829 8.275 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -14.146 20.271 7.437 1.00 0.00 H new ATOM 449 N GLY A 33 -9.375 18.198 6.813 1.00 0.00 N ATOM 450 CA GLY A 33 -8.091 17.755 7.326 1.00 0.00 C ATOM 451 C GLY A 33 -7.252 17.066 6.269 1.00 0.00 C ATOM 452 O GLY A 33 -6.309 17.649 5.736 1.00 0.00 O ATOM 0 H GLY A 33 -9.579 17.906 5.857 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.544 18.613 7.718 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.252 17.072 8.160 1.00 0.00 H new ATOM 456 N ALA A 34 -7.594 15.818 5.966 1.00 0.00 N ATOM 457 CA ALA A 34 -6.865 15.047 4.966 1.00 0.00 C ATOM 458 C ALA A 34 -7.588 13.744 4.642 1.00 0.00 C ATOM 459 O ALA A 34 -8.162 13.108 5.526 1.00 0.00 O ATOM 460 CB ALA A 34 -5.450 14.764 5.446 1.00 0.00 C ATOM 0 H ALA A 34 -8.371 15.319 6.399 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.814 15.639 4.052 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.918 14.188 4.689 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.929 15.706 5.618 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.488 14.195 6.375 1.00 0.00 H new ATOM 466 N GLN A 35 -7.554 13.352 3.373 1.00 0.00 N ATOM 467 CA GLN A 35 -8.207 12.125 2.934 1.00 0.00 C ATOM 468 C GLN A 35 -7.217 11.202 2.232 1.00 0.00 C ATOM 469 O GLN A 35 -6.483 11.627 1.340 1.00 0.00 O ATOM 470 CB GLN A 35 -9.373 12.449 1.998 1.00 0.00 C ATOM 471 CG GLN A 35 -9.998 11.220 1.357 1.00 0.00 C ATOM 472 CD GLN A 35 -10.898 11.566 0.188 1.00 0.00 C ATOM 473 OE1 GLN A 35 -10.427 11.993 -0.867 1.00 0.00 O ATOM 474 NE2 GLN A 35 -12.201 11.382 0.367 1.00 0.00 N ATOM 0 H GLN A 35 -7.081 13.867 2.630 1.00 0.00 H new ATOM 0 HA GLN A 35 -8.590 11.612 3.816 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -10.139 12.986 2.558 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -9.023 13.119 1.213 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -9.208 10.551 1.017 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -10.574 10.677 2.106 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -12.548 11.026 1.258 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -12.855 11.597 -0.386 1.00 0.00 H new ATOM 483 N ILE A 36 -7.202 9.938 2.642 1.00 0.00 N ATOM 484 CA ILE A 36 -6.303 8.955 2.051 1.00 0.00 C ATOM 485 C ILE A 36 -6.998 8.166 0.947 1.00 0.00 C ATOM 486 O ILE A 36 -8.187 8.354 0.689 1.00 0.00 O ATOM 487 CB ILE A 36 -5.770 7.971 3.110 1.00 0.00 C ATOM 488 CG1 ILE A 36 -6.897 7.543 4.052 1.00 0.00 C ATOM 489 CG2 ILE A 36 -4.629 8.604 3.894 1.00 0.00 C ATOM 490 CD1 ILE A 36 -6.589 6.279 4.826 1.00 0.00 C ATOM 0 H ILE A 36 -7.802 9.571 3.381 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.466 9.510 1.626 1.00 0.00 H new ATOM 0 HB ILE A 36 -5.389 7.085 2.603 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -7.098 8.351 4.756 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -7.807 7.392 3.472 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.263 7.897 4.638 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.820 8.865 3.212 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.986 9.504 4.394 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.431 6.035 5.474 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.417 5.459 4.129 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.697 6.432 5.433 1.00 0.00 H new ATOM 502 N LEU A 37 -6.249 7.282 0.297 1.00 0.00 N ATOM 503 CA LEU A 37 -6.794 6.462 -0.779 1.00 0.00 C ATOM 504 C LEU A 37 -6.907 5.003 -0.349 1.00 0.00 C ATOM 505 O LEU A 37 -6.047 4.487 0.365 1.00 0.00 O ATOM 506 CB LEU A 37 -5.913 6.570 -2.025 1.00 0.00 C ATOM 507 CG LEU A 37 -6.216 5.580 -3.150 1.00 0.00 C ATOM 508 CD1 LEU A 37 -7.558 5.898 -3.793 1.00 0.00 C ATOM 509 CD2 LEU A 37 -5.107 5.600 -4.192 1.00 0.00 C ATOM 0 H LEU A 37 -5.263 7.115 0.496 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.792 6.831 -1.013 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.004 7.581 -2.423 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.874 6.439 -1.723 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.268 4.579 -2.722 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.757 5.183 -4.592 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -8.346 5.832 -3.042 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -7.534 6.906 -4.206 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.340 4.889 -4.985 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.023 6.601 -4.615 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.162 5.324 -3.723 1.00 0.00 H new ATOM 521 N LEU A 38 -7.973 4.343 -0.788 1.00 0.00 N ATOM 522 CA LEU A 38 -8.199 2.943 -0.451 1.00 0.00 C ATOM 523 C LEU A 38 -8.711 2.166 -1.660 1.00 0.00 C ATOM 524 O LEU A 38 -9.753 2.496 -2.227 1.00 0.00 O ATOM 525 CB LEU A 38 -9.199 2.830 0.702 1.00 0.00 C ATOM 526 CG LEU A 38 -9.021 1.628 1.631 1.00 0.00 C ATOM 527 CD1 LEU A 38 -7.623 1.621 2.230 1.00 0.00 C ATOM 528 CD2 LEU A 38 -10.074 1.642 2.728 1.00 0.00 C ATOM 0 H LEU A 38 -8.695 4.756 -1.379 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.247 2.512 -0.142 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -9.137 3.739 1.301 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -10.204 2.793 0.282 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.148 0.717 1.046 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.514 0.759 2.888 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.885 1.563 1.430 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.467 2.536 2.801 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.932 0.780 3.379 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.979 2.558 3.312 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -11.067 1.599 2.280 1.00 0.00 H new ATOM 540 N VAL A 39 -7.973 1.133 -2.049 1.00 0.00 N ATOM 541 CA VAL A 39 -8.353 0.307 -3.190 1.00 0.00 C ATOM 542 C VAL A 39 -8.806 -1.077 -2.738 1.00 0.00 C ATOM 543 O VAL A 39 -8.648 -1.444 -1.575 1.00 0.00 O ATOM 544 CB VAL A 39 -7.188 0.154 -4.185 1.00 0.00 C ATOM 545 CG1 VAL A 39 -6.717 1.517 -4.670 1.00 0.00 C ATOM 546 CG2 VAL A 39 -6.043 -0.620 -3.550 1.00 0.00 C ATOM 0 H VAL A 39 -7.108 0.847 -1.591 1.00 0.00 H new ATOM 0 HA VAL A 39 -9.180 0.814 -3.687 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.542 -0.410 -5.048 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.893 1.389 -5.372 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.540 2.031 -5.166 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.380 2.109 -3.819 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.228 -0.719 -4.268 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.688 -0.086 -2.669 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.391 -1.611 -3.258 1.00 0.00 H new ATOM 556 N GLN A 40 -9.372 -1.840 -3.668 1.00 0.00 N ATOM 557 CA GLN A 40 -9.848 -3.185 -3.366 1.00 0.00 C ATOM 558 C GLN A 40 -8.890 -4.238 -3.913 1.00 0.00 C ATOM 559 O GLN A 40 -8.045 -3.943 -4.757 1.00 0.00 O ATOM 560 CB GLN A 40 -11.246 -3.396 -3.950 1.00 0.00 C ATOM 561 CG GLN A 40 -12.367 -2.999 -3.005 1.00 0.00 C ATOM 562 CD GLN A 40 -13.728 -3.009 -3.675 1.00 0.00 C ATOM 563 OE1 GLN A 40 -13.876 -2.556 -4.810 1.00 0.00 O ATOM 564 NE2 GLN A 40 -14.728 -3.528 -2.974 1.00 0.00 N ATOM 0 H GLN A 40 -9.512 -1.550 -4.636 1.00 0.00 H new ATOM 0 HA GLN A 40 -9.895 -3.292 -2.282 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -11.337 -2.819 -4.870 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.364 -4.446 -4.219 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.380 -3.682 -2.156 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -12.168 -2.003 -2.610 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -14.559 -3.892 -2.036 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -15.666 -3.563 -3.373 1.00 0.00 H new ATOM 573 N ARG A 41 -9.030 -5.467 -3.426 1.00 0.00 N ATOM 574 CA ARG A 41 -8.176 -6.565 -3.865 1.00 0.00 C ATOM 575 C ARG A 41 -8.913 -7.465 -4.852 1.00 0.00 C ATOM 576 O ARG A 41 -10.141 -7.459 -4.939 1.00 0.00 O ATOM 577 CB ARG A 41 -7.704 -7.384 -2.663 1.00 0.00 C ATOM 578 CG ARG A 41 -6.397 -6.890 -2.064 1.00 0.00 C ATOM 579 CD ARG A 41 -5.849 -7.870 -1.038 1.00 0.00 C ATOM 580 NE ARG A 41 -4.960 -8.857 -1.645 1.00 0.00 N ATOM 581 CZ ARG A 41 -4.733 -10.058 -1.124 1.00 0.00 C ATOM 582 NH1 ARG A 41 -5.324 -10.418 0.006 1.00 0.00 N ATOM 583 NH2 ARG A 41 -3.910 -10.902 -1.735 1.00 0.00 N ATOM 0 H ARG A 41 -9.726 -5.727 -2.728 1.00 0.00 H new ATOM 0 HA ARG A 41 -7.308 -6.139 -4.368 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -8.477 -7.364 -1.894 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -7.584 -8.424 -2.967 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -5.664 -6.744 -2.857 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.555 -5.919 -1.594 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.309 -7.322 -0.266 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.677 -8.381 -0.547 1.00 0.00 H new ATOM 0 HE ARG A 41 -4.488 -8.611 -2.515 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.956 -9.772 0.479 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.147 -11.341 0.403 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.452 -10.628 -2.604 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -3.736 -11.824 -1.335 1.00 0.00 H new ATOM 698 N LEU A 50 -12.012 -6.848 -0.293 1.00 0.00 N ATOM 699 CA LEU A 50 -11.843 -6.025 0.899 1.00 0.00 C ATOM 700 C LEU A 50 -11.288 -4.651 0.538 1.00 0.00 C ATOM 701 O LEU A 50 -10.938 -4.396 -0.614 1.00 0.00 O ATOM 702 CB LEU A 50 -10.911 -6.718 1.894 1.00 0.00 C ATOM 703 CG LEU A 50 -11.573 -7.700 2.862 1.00 0.00 C ATOM 704 CD1 LEU A 50 -12.507 -6.965 3.811 1.00 0.00 C ATOM 705 CD2 LEU A 50 -12.326 -8.778 2.098 1.00 0.00 C ATOM 0 HA LEU A 50 -12.822 -5.892 1.360 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.146 -7.253 1.332 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.401 -5.952 2.478 1.00 0.00 H new ATOM 0 HG LEU A 50 -10.792 -8.180 3.452 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -12.969 -7.679 4.492 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -11.940 -6.231 4.384 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -13.282 -6.457 3.238 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -12.790 -9.467 2.804 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -13.097 -8.316 1.482 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -11.631 -9.325 1.461 1.00 0.00 H new ATOM 717 N TRP A 51 -11.210 -3.771 1.529 1.00 0.00 N ATOM 718 CA TRP A 51 -10.695 -2.423 1.316 1.00 0.00 C ATOM 719 C TRP A 51 -9.308 -2.266 1.931 1.00 0.00 C ATOM 720 O TRP A 51 -9.159 -2.265 3.153 1.00 0.00 O ATOM 721 CB TRP A 51 -11.651 -1.390 1.912 1.00 0.00 C ATOM 722 CG TRP A 51 -12.986 -1.354 1.233 1.00 0.00 C ATOM 723 CD1 TRP A 51 -14.167 -1.840 1.718 1.00 0.00 C ATOM 724 CD2 TRP A 51 -13.277 -0.803 -0.056 1.00 0.00 C ATOM 725 NE1 TRP A 51 -15.174 -1.625 0.808 1.00 0.00 N ATOM 726 CE2 TRP A 51 -14.654 -0.990 -0.288 1.00 0.00 C ATOM 727 CE3 TRP A 51 -12.509 -0.168 -1.036 1.00 0.00 C ATOM 728 CZ2 TRP A 51 -15.276 -0.566 -1.460 1.00 0.00 C ATOM 729 CZ3 TRP A 51 -13.128 0.253 -2.198 1.00 0.00 C ATOM 730 CH2 TRP A 51 -14.500 0.054 -2.402 1.00 0.00 C ATOM 0 H TRP A 51 -11.497 -3.966 2.488 1.00 0.00 H new ATOM 0 HA TRP A 51 -10.616 -2.257 0.242 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -11.796 -1.608 2.970 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -11.193 -0.403 1.849 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -14.291 -2.323 2.676 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -16.150 -1.895 0.929 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -11.451 -0.009 -0.888 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -16.333 -0.721 -1.620 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -12.544 0.744 -2.962 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -14.954 0.396 -3.320 1.00 0.00 H new ATOM 741 N GLU A 52 -8.298 -2.135 1.077 1.00 0.00 N ATOM 742 CA GLU A 52 -6.924 -1.977 1.539 1.00 0.00 C ATOM 743 C GLU A 52 -6.152 -1.021 0.634 1.00 0.00 C ATOM 744 O GLU A 52 -6.595 -0.698 -0.468 1.00 0.00 O ATOM 745 CB GLU A 52 -6.220 -3.334 1.583 1.00 0.00 C ATOM 746 CG GLU A 52 -6.419 -4.165 0.327 1.00 0.00 C ATOM 747 CD GLU A 52 -7.871 -4.536 0.096 1.00 0.00 C ATOM 748 OE1 GLU A 52 -8.481 -5.136 1.006 1.00 0.00 O ATOM 749 OE2 GLU A 52 -8.397 -4.227 -0.993 1.00 0.00 O ATOM 0 H GLU A 52 -8.405 -2.135 0.063 1.00 0.00 H new ATOM 0 HA GLU A 52 -6.951 -1.556 2.544 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -5.153 -3.175 1.738 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.586 -3.896 2.442 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.049 -3.609 -0.534 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.823 -5.075 0.400 1.00 0.00 H new ATOM 756 N PHE A 53 -4.996 -0.570 1.110 1.00 0.00 N ATOM 757 CA PHE A 53 -4.162 0.352 0.347 1.00 0.00 C ATOM 758 C PHE A 53 -3.507 -0.359 -0.833 1.00 0.00 C ATOM 759 O PHE A 53 -3.257 -1.563 -0.804 1.00 0.00 O ATOM 760 CB PHE A 53 -3.089 0.967 1.247 1.00 0.00 C ATOM 761 CG PHE A 53 -3.623 1.478 2.554 1.00 0.00 C ATOM 762 CD1 PHE A 53 -4.608 2.452 2.583 1.00 0.00 C ATOM 763 CD2 PHE A 53 -3.141 0.983 3.756 1.00 0.00 C ATOM 764 CE1 PHE A 53 -5.102 2.924 3.784 1.00 0.00 C ATOM 765 CE2 PHE A 53 -3.632 1.451 4.961 1.00 0.00 C ATOM 766 CZ PHE A 53 -4.612 2.424 4.975 1.00 0.00 C ATOM 0 H PHE A 53 -4.615 -0.828 2.020 1.00 0.00 H new ATOM 0 HA PHE A 53 -4.800 1.147 -0.039 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.320 0.220 1.445 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.607 1.787 0.715 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.995 2.847 1.655 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.373 0.223 3.751 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.870 3.683 3.792 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -3.249 1.056 5.890 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.995 2.793 5.915 1.00 0.00 H new ATOM 776 N PRO A 54 -3.221 0.405 -1.898 1.00 0.00 N ATOM 777 CA PRO A 54 -2.592 -0.129 -3.109 1.00 0.00 C ATOM 778 C PRO A 54 -1.137 -0.524 -2.879 1.00 0.00 C ATOM 779 O PRO A 54 -0.407 0.152 -2.155 1.00 0.00 O ATOM 780 CB PRO A 54 -2.680 1.035 -4.099 1.00 0.00 C ATOM 781 CG PRO A 54 -2.747 2.254 -3.244 1.00 0.00 C ATOM 782 CD PRO A 54 -3.492 1.849 -2.003 1.00 0.00 C ATOM 0 HA PRO A 54 -3.083 -1.038 -3.456 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -1.812 1.061 -4.758 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.561 0.948 -4.735 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -1.748 2.614 -2.999 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.261 3.065 -3.760 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.136 2.389 -1.126 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -4.559 2.052 -2.091 1.00 0.00 H new ATOM 790 N SER A 55 -0.721 -1.623 -3.502 1.00 0.00 N ATOM 791 CA SER A 55 0.646 -2.109 -3.362 1.00 0.00 C ATOM 792 C SER A 55 1.128 -2.754 -4.659 1.00 0.00 C ATOM 793 O SER A 55 0.328 -3.120 -5.519 1.00 0.00 O ATOM 794 CB SER A 55 0.737 -3.116 -2.215 1.00 0.00 C ATOM 795 OG SER A 55 0.204 -4.373 -2.595 1.00 0.00 O ATOM 0 H SER A 55 -1.311 -2.193 -4.108 1.00 0.00 H new ATOM 0 HA SER A 55 1.288 -1.256 -3.139 1.00 0.00 H new ATOM 0 HB2 SER A 55 1.778 -3.235 -1.914 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.196 -2.735 -1.349 1.00 0.00 H new ATOM 0 HG SER A 55 0.276 -4.999 -1.845 1.00 0.00 H new ATOM 801 N VAL A 56 2.444 -2.889 -4.791 1.00 0.00 N ATOM 802 CA VAL A 56 3.035 -3.490 -5.981 1.00 0.00 C ATOM 803 C VAL A 56 3.934 -4.666 -5.615 1.00 0.00 C ATOM 804 O VAL A 56 4.164 -4.942 -4.437 1.00 0.00 O ATOM 805 CB VAL A 56 3.855 -2.461 -6.782 1.00 0.00 C ATOM 806 CG1 VAL A 56 3.019 -1.224 -7.077 1.00 0.00 C ATOM 807 CG2 VAL A 56 5.124 -2.088 -6.029 1.00 0.00 C ATOM 0 H VAL A 56 3.121 -2.590 -4.089 1.00 0.00 H new ATOM 0 HA VAL A 56 2.210 -3.846 -6.598 1.00 0.00 H new ATOM 0 HB VAL A 56 4.142 -2.912 -7.732 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.615 -0.509 -7.643 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.142 -1.508 -7.660 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.700 -0.769 -6.140 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.691 -1.360 -6.610 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.861 -1.656 -5.064 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.731 -2.980 -5.874 1.00 0.00 H new ATOM 817 N THR A 57 4.441 -5.355 -6.632 1.00 0.00 N ATOM 818 CA THR A 57 5.314 -6.502 -6.417 1.00 0.00 C ATOM 819 C THR A 57 6.591 -6.092 -5.692 1.00 0.00 C ATOM 820 O THR A 57 7.129 -5.010 -5.927 1.00 0.00 O ATOM 821 CB THR A 57 5.688 -7.180 -7.749 1.00 0.00 C ATOM 822 OG1 THR A 57 6.181 -6.204 -8.674 1.00 0.00 O ATOM 823 CG2 THR A 57 4.487 -7.894 -8.349 1.00 0.00 C ATOM 0 H THR A 57 4.262 -5.139 -7.613 1.00 0.00 H new ATOM 0 HA THR A 57 4.761 -7.210 -5.800 1.00 0.00 H new ATOM 0 HB THR A 57 6.466 -7.917 -7.550 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.418 -6.643 -9.517 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.776 -8.365 -9.289 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.133 -8.656 -7.655 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.690 -7.173 -8.534 1.00 0.00 H new ATOM 831 N TRP A 58 7.072 -6.964 -4.814 1.00 0.00 N ATOM 832 CA TRP A 58 8.289 -6.692 -4.055 1.00 0.00 C ATOM 833 C TRP A 58 9.466 -6.430 -4.989 1.00 0.00 C ATOM 834 O TRP A 58 9.382 -6.681 -6.191 1.00 0.00 O ATOM 835 CB TRP A 58 8.608 -7.865 -3.128 1.00 0.00 C ATOM 836 CG TRP A 58 9.798 -7.621 -2.249 1.00 0.00 C ATOM 837 CD1 TRP A 58 9.838 -6.853 -1.120 1.00 0.00 C ATOM 838 CD2 TRP A 58 11.118 -8.144 -2.429 1.00 0.00 C ATOM 839 NE1 TRP A 58 11.105 -6.868 -0.586 1.00 0.00 N ATOM 840 CE2 TRP A 58 11.908 -7.654 -1.370 1.00 0.00 C ATOM 841 CE3 TRP A 58 11.709 -8.980 -3.379 1.00 0.00 C ATOM 842 CZ2 TRP A 58 13.257 -7.972 -1.239 1.00 0.00 C ATOM 843 CZ3 TRP A 58 13.048 -9.296 -3.248 1.00 0.00 C ATOM 844 CH2 TRP A 58 13.810 -8.793 -2.184 1.00 0.00 C ATOM 0 H TRP A 58 6.639 -7.865 -4.609 1.00 0.00 H new ATOM 0 HA TRP A 58 8.121 -5.798 -3.454 1.00 0.00 H new ATOM 0 HB2 TRP A 58 7.739 -8.071 -2.503 1.00 0.00 H new ATOM 0 HB3 TRP A 58 8.786 -8.756 -3.730 1.00 0.00 H new ATOM 0 HD1 TRP A 58 8.998 -6.314 -0.708 1.00 0.00 H new ATOM 0 HE1 TRP A 58 11.399 -6.374 0.257 1.00 0.00 H new ATOM 0 HE3 TRP A 58 11.130 -9.373 -4.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 13.846 -7.585 -0.421 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 13.515 -9.941 -3.977 1.00 0.00 H new ATOM 0 HH2 TRP A 58 14.854 -9.059 -2.109 1.00 0.00 H new ATOM 855 N GLU A 59 10.560 -5.925 -4.427 1.00 0.00 N ATOM 856 CA GLU A 59 11.753 -5.630 -5.211 1.00 0.00 C ATOM 857 C GLU A 59 12.996 -5.617 -4.326 1.00 0.00 C ATOM 858 O GLU A 59 13.023 -5.004 -3.259 1.00 0.00 O ATOM 859 CB GLU A 59 11.604 -4.282 -5.920 1.00 0.00 C ATOM 860 CG GLU A 59 10.773 -4.351 -7.189 1.00 0.00 C ATOM 861 CD GLU A 59 11.276 -5.402 -8.159 1.00 0.00 C ATOM 862 OE1 GLU A 59 12.454 -5.319 -8.565 1.00 0.00 O ATOM 863 OE2 GLU A 59 10.492 -6.307 -8.514 1.00 0.00 O ATOM 0 H GLU A 59 10.644 -5.712 -3.433 1.00 0.00 H new ATOM 0 HA GLU A 59 11.869 -6.415 -5.959 1.00 0.00 H new ATOM 0 HB2 GLU A 59 11.146 -3.569 -5.234 1.00 0.00 H new ATOM 0 HB3 GLU A 59 12.594 -3.898 -6.165 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.737 -4.568 -6.929 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.782 -3.377 -7.678 1.00 0.00 H new ATOM 870 N PRO A 60 14.052 -6.310 -4.779 1.00 0.00 N ATOM 871 CA PRO A 60 15.317 -6.395 -4.044 1.00 0.00 C ATOM 872 C PRO A 60 16.070 -5.068 -4.032 1.00 0.00 C ATOM 873 O PRO A 60 16.942 -4.846 -3.192 1.00 0.00 O ATOM 874 CB PRO A 60 16.108 -7.451 -4.821 1.00 0.00 C ATOM 875 CG PRO A 60 15.546 -7.407 -6.199 1.00 0.00 C ATOM 876 CD PRO A 60 14.090 -7.065 -6.043 1.00 0.00 C ATOM 0 HA PRO A 60 15.163 -6.645 -2.994 1.00 0.00 H new ATOM 0 HB2 PRO A 60 17.175 -7.226 -4.821 1.00 0.00 H new ATOM 0 HB3 PRO A 60 15.991 -8.440 -4.377 1.00 0.00 H new ATOM 0 HG2 PRO A 60 16.059 -6.661 -6.806 1.00 0.00 H new ATOM 0 HG3 PRO A 60 15.670 -8.366 -6.701 1.00 0.00 H new ATOM 0 HD2 PRO A 60 13.725 -6.468 -6.879 1.00 0.00 H new ATOM 0 HD3 PRO A 60 13.470 -7.960 -5.996 1.00 0.00 H new ATOM 884 N SER A 61 15.726 -4.189 -4.968 1.00 0.00 N ATOM 885 CA SER A 61 16.372 -2.885 -5.067 1.00 0.00 C ATOM 886 C SER A 61 15.455 -1.784 -4.544 1.00 0.00 C ATOM 887 O SER A 61 14.308 -1.662 -4.973 1.00 0.00 O ATOM 888 CB SER A 61 16.762 -2.595 -6.517 1.00 0.00 C ATOM 889 OG SER A 61 17.916 -1.775 -6.580 1.00 0.00 O ATOM 0 H SER A 61 15.004 -4.356 -5.669 1.00 0.00 H new ATOM 0 HA SER A 61 17.273 -2.905 -4.454 1.00 0.00 H new ATOM 0 HB2 SER A 61 16.949 -3.532 -7.041 1.00 0.00 H new ATOM 0 HB3 SER A 61 15.934 -2.103 -7.028 1.00 0.00 H new ATOM 0 HG SER A 61 18.146 -1.605 -7.517 1.00 0.00 H new ATOM 895 N GLU A 62 15.970 -0.986 -3.614 1.00 0.00 N ATOM 896 CA GLU A 62 15.197 0.105 -3.032 1.00 0.00 C ATOM 897 C GLU A 62 14.556 0.960 -4.121 1.00 0.00 C ATOM 898 O GLU A 62 13.444 1.461 -3.957 1.00 0.00 O ATOM 899 CB GLU A 62 16.090 0.975 -2.145 1.00 0.00 C ATOM 900 CG GLU A 62 16.811 2.078 -2.902 1.00 0.00 C ATOM 901 CD GLU A 62 18.079 2.532 -2.205 1.00 0.00 C ATOM 902 OE1 GLU A 62 17.973 3.157 -1.129 1.00 0.00 O ATOM 903 OE2 GLU A 62 19.177 2.262 -2.735 1.00 0.00 O ATOM 0 H GLU A 62 16.918 -1.074 -3.248 1.00 0.00 H new ATOM 0 HA GLU A 62 14.405 -0.330 -2.423 1.00 0.00 H new ATOM 0 HB2 GLU A 62 15.481 1.423 -1.360 1.00 0.00 H new ATOM 0 HB3 GLU A 62 16.828 0.341 -1.654 1.00 0.00 H new ATOM 0 HG2 GLU A 62 17.058 1.725 -3.903 1.00 0.00 H new ATOM 0 HG3 GLU A 62 16.141 2.930 -3.021 1.00 0.00 H new ATOM 910 N GLN A 63 15.266 1.121 -5.234 1.00 0.00 N ATOM 911 CA GLN A 63 14.767 1.916 -6.349 1.00 0.00 C ATOM 912 C GLN A 63 13.639 1.189 -7.074 1.00 0.00 C ATOM 913 O GLN A 63 12.489 1.629 -7.054 1.00 0.00 O ATOM 914 CB GLN A 63 15.900 2.228 -7.328 1.00 0.00 C ATOM 915 CG GLN A 63 15.428 2.875 -8.620 1.00 0.00 C ATOM 916 CD GLN A 63 16.476 3.779 -9.237 1.00 0.00 C ATOM 917 OE1 GLN A 63 17.004 4.677 -8.580 1.00 0.00 O ATOM 918 NE2 GLN A 63 16.785 3.546 -10.507 1.00 0.00 N ATOM 0 H GLN A 63 16.188 0.711 -5.387 1.00 0.00 H new ATOM 0 HA GLN A 63 14.374 2.851 -5.949 1.00 0.00 H new ATOM 0 HB2 GLN A 63 16.617 2.889 -6.842 1.00 0.00 H new ATOM 0 HB3 GLN A 63 16.428 1.304 -7.566 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.159 2.097 -9.334 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.525 3.453 -8.424 1.00 0.00 H new ATOM 0 HE21 GLN A 63 16.323 2.791 -11.014 1.00 0.00 H new ATOM 0 HE22 GLN A 63 17.485 4.122 -10.976 1.00 0.00 H new ATOM 927 N LEU A 64 13.976 0.075 -7.714 1.00 0.00 N ATOM 928 CA LEU A 64 12.991 -0.714 -8.446 1.00 0.00 C ATOM 929 C LEU A 64 11.658 -0.744 -7.706 1.00 0.00 C ATOM 930 O LEU A 64 10.595 -0.693 -8.323 1.00 0.00 O ATOM 931 CB LEU A 64 13.504 -2.140 -8.654 1.00 0.00 C ATOM 932 CG LEU A 64 14.452 -2.347 -9.836 1.00 0.00 C ATOM 933 CD1 LEU A 64 15.580 -1.328 -9.800 1.00 0.00 C ATOM 934 CD2 LEU A 64 15.010 -3.763 -9.832 1.00 0.00 C ATOM 0 H LEU A 64 14.923 -0.302 -7.741 1.00 0.00 H new ATOM 0 HA LEU A 64 12.835 -0.245 -9.417 1.00 0.00 H new ATOM 0 HB2 LEU A 64 14.015 -2.457 -7.745 1.00 0.00 H new ATOM 0 HB3 LEU A 64 12.645 -2.798 -8.783 1.00 0.00 H new ATOM 0 HG LEU A 64 13.888 -2.203 -10.758 1.00 0.00 H new ATOM 0 HD11 LEU A 64 16.245 -1.491 -10.649 1.00 0.00 H new ATOM 0 HD12 LEU A 64 15.163 -0.322 -9.853 1.00 0.00 H new ATOM 0 HD13 LEU A 64 16.142 -1.440 -8.873 1.00 0.00 H new ATOM 0 HD21 LEU A 64 15.682 -3.892 -10.680 1.00 0.00 H new ATOM 0 HD22 LEU A 64 15.558 -3.936 -8.905 1.00 0.00 H new ATOM 0 HD23 LEU A 64 14.190 -4.477 -9.907 1.00 0.00 H new ATOM 946 N GLN A 65 11.724 -0.826 -6.382 1.00 0.00 N ATOM 947 CA GLN A 65 10.521 -0.860 -5.557 1.00 0.00 C ATOM 948 C GLN A 65 9.718 0.427 -5.712 1.00 0.00 C ATOM 949 O GLN A 65 8.525 0.393 -6.016 1.00 0.00 O ATOM 950 CB GLN A 65 10.890 -1.072 -4.088 1.00 0.00 C ATOM 951 CG GLN A 65 9.700 -0.999 -3.145 1.00 0.00 C ATOM 952 CD GLN A 65 8.421 -1.510 -3.780 1.00 0.00 C ATOM 953 OE1 GLN A 65 7.393 -0.831 -3.767 1.00 0.00 O ATOM 954 NE2 GLN A 65 8.476 -2.713 -4.339 1.00 0.00 N ATOM 0 H GLN A 65 12.597 -0.870 -5.857 1.00 0.00 H new ATOM 0 HA GLN A 65 9.904 -1.694 -5.893 1.00 0.00 H new ATOM 0 HB2 GLN A 65 11.370 -2.045 -3.979 1.00 0.00 H new ATOM 0 HB3 GLN A 65 11.623 -0.320 -3.794 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.915 -1.582 -2.249 1.00 0.00 H new ATOM 0 HG3 GLN A 65 9.556 0.034 -2.827 1.00 0.00 H new ATOM 0 HE21 GLN A 65 9.348 -3.241 -4.327 1.00 0.00 H new ATOM 0 HE22 GLN A 65 7.646 -3.109 -4.780 1.00 0.00 H new ATOM 963 N ARG A 66 10.379 1.560 -5.501 1.00 0.00 N ATOM 964 CA ARG A 66 9.726 2.858 -5.615 1.00 0.00 C ATOM 965 C ARG A 66 9.286 3.121 -7.052 1.00 0.00 C ATOM 966 O ARG A 66 8.187 3.620 -7.296 1.00 0.00 O ATOM 967 CB ARG A 66 10.668 3.970 -5.147 1.00 0.00 C ATOM 968 CG ARG A 66 11.176 3.781 -3.728 1.00 0.00 C ATOM 969 CD ARG A 66 12.300 4.753 -3.404 1.00 0.00 C ATOM 970 NE ARG A 66 13.570 4.335 -3.992 1.00 0.00 N ATOM 971 CZ ARG A 66 14.613 5.144 -4.140 1.00 0.00 C ATOM 972 NH1 ARG A 66 14.537 6.408 -3.745 1.00 0.00 N ATOM 973 NH2 ARG A 66 15.735 4.691 -4.685 1.00 0.00 N ATOM 0 H ARG A 66 11.367 1.605 -5.250 1.00 0.00 H new ATOM 0 HA ARG A 66 8.841 2.849 -4.978 1.00 0.00 H new ATOM 0 HB2 ARG A 66 11.520 4.022 -5.825 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.149 4.926 -5.214 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.356 3.924 -3.025 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.530 2.758 -3.600 1.00 0.00 H new ATOM 0 HD2 ARG A 66 12.039 5.745 -3.772 1.00 0.00 H new ATOM 0 HD3 ARG A 66 12.410 4.833 -2.323 1.00 0.00 H new ATOM 0 HE ARG A 66 13.661 3.369 -4.306 1.00 0.00 H new ATOM 0 HH11 ARG A 66 13.676 6.761 -3.327 1.00 0.00 H new ATOM 0 HH12 ARG A 66 15.339 7.027 -3.860 1.00 0.00 H new ATOM 0 HH21 ARG A 66 15.797 3.720 -4.991 1.00 0.00 H new ATOM 0 HH22 ARG A 66 16.535 5.314 -4.798 1.00 0.00 H new ATOM 987 N LYS A 67 10.151 2.783 -8.002 1.00 0.00 N ATOM 988 CA LYS A 67 9.853 2.980 -9.416 1.00 0.00 C ATOM 989 C LYS A 67 8.534 2.314 -9.791 1.00 0.00 C ATOM 990 O LYS A 67 7.672 2.931 -10.416 1.00 0.00 O ATOM 991 CB LYS A 67 10.985 2.419 -10.280 1.00 0.00 C ATOM 992 CG LYS A 67 12.172 3.358 -10.411 1.00 0.00 C ATOM 993 CD LYS A 67 13.292 2.729 -11.222 1.00 0.00 C ATOM 994 CE LYS A 67 12.938 2.653 -12.699 1.00 0.00 C ATOM 995 NZ LYS A 67 13.148 3.957 -13.387 1.00 0.00 N ATOM 0 H LYS A 67 11.066 2.371 -7.818 1.00 0.00 H new ATOM 0 HA LYS A 67 9.763 4.051 -9.598 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.324 1.476 -9.852 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.596 2.197 -11.274 1.00 0.00 H new ATOM 0 HG2 LYS A 67 11.853 4.285 -10.887 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.542 3.619 -9.420 1.00 0.00 H new ATOM 0 HD2 LYS A 67 14.205 3.311 -11.095 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.497 1.727 -10.844 1.00 0.00 H new ATOM 0 HE2 LYS A 67 13.546 1.887 -13.179 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.897 2.348 -12.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 12.896 3.864 -14.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 12.549 4.683 -12.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 14.147 4.236 -13.305 1.00 0.00 H new ATOM 1009 N ALA A 68 8.384 1.050 -9.406 1.00 0.00 N ATOM 1010 CA ALA A 68 7.168 0.302 -9.700 1.00 0.00 C ATOM 1011 C ALA A 68 6.027 0.724 -8.781 1.00 0.00 C ATOM 1012 O ALA A 68 4.874 0.811 -9.205 1.00 0.00 O ATOM 1013 CB ALA A 68 7.424 -1.192 -9.573 1.00 0.00 C ATOM 0 H ALA A 68 9.089 0.524 -8.890 1.00 0.00 H new ATOM 0 HA ALA A 68 6.874 0.524 -10.726 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.507 -1.738 -9.795 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.203 -1.489 -10.276 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.746 -1.421 -8.557 1.00 0.00 H new ATOM 1019 N LEU A 69 6.356 0.986 -7.520 1.00 0.00 N ATOM 1020 CA LEU A 69 5.358 1.399 -6.540 1.00 0.00 C ATOM 1021 C LEU A 69 4.498 2.537 -7.083 1.00 0.00 C ATOM 1022 O LEU A 69 3.280 2.404 -7.207 1.00 0.00 O ATOM 1023 CB LEU A 69 6.039 1.835 -5.242 1.00 0.00 C ATOM 1024 CG LEU A 69 5.131 2.461 -4.183 1.00 0.00 C ATOM 1025 CD1 LEU A 69 4.033 1.489 -3.779 1.00 0.00 C ATOM 1026 CD2 LEU A 69 5.941 2.888 -2.969 1.00 0.00 C ATOM 0 H LEU A 69 7.305 0.920 -7.153 1.00 0.00 H new ATOM 0 HA LEU A 69 4.712 0.545 -6.336 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.529 0.966 -4.803 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.822 2.552 -5.489 1.00 0.00 H new ATOM 0 HG LEU A 69 4.664 3.347 -4.612 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.397 1.952 -3.025 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.433 1.234 -4.653 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.481 0.584 -3.370 1.00 0.00 H new ATOM 0 HD21 LEU A 69 5.277 3.331 -2.226 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.438 2.018 -2.539 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.689 3.621 -3.270 1.00 0.00 H new ATOM 1038 N LEU A 70 5.140 3.653 -7.408 1.00 0.00 N ATOM 1039 CA LEU A 70 4.436 4.814 -7.941 1.00 0.00 C ATOM 1040 C LEU A 70 3.635 4.441 -9.184 1.00 0.00 C ATOM 1041 O LEU A 70 2.430 4.679 -9.252 1.00 0.00 O ATOM 1042 CB LEU A 70 5.429 5.929 -8.275 1.00 0.00 C ATOM 1043 CG LEU A 70 6.122 6.589 -7.082 1.00 0.00 C ATOM 1044 CD1 LEU A 70 7.263 7.477 -7.553 1.00 0.00 C ATOM 1045 CD2 LEU A 70 5.124 7.391 -6.262 1.00 0.00 C ATOM 0 H LEU A 70 6.148 3.779 -7.312 1.00 0.00 H new ATOM 0 HA LEU A 70 3.743 5.170 -7.178 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.195 5.521 -8.935 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.903 6.701 -8.837 1.00 0.00 H new ATOM 0 HG LEU A 70 6.536 5.805 -6.448 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.745 7.938 -6.691 1.00 0.00 H new ATOM 0 HD12 LEU A 70 7.991 6.876 -8.097 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.872 8.254 -8.209 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.635 7.853 -5.418 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.680 8.166 -6.886 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.340 6.729 -5.894 1.00 0.00 H new ATOM 1057 N GLN A 71 4.314 3.853 -10.165 1.00 0.00 N ATOM 1058 CA GLN A 71 3.665 3.447 -11.406 1.00 0.00 C ATOM 1059 C GLN A 71 2.248 2.951 -11.141 1.00 0.00 C ATOM 1060 O GLN A 71 1.322 3.262 -11.889 1.00 0.00 O ATOM 1061 CB GLN A 71 4.480 2.352 -12.097 1.00 0.00 C ATOM 1062 CG GLN A 71 5.784 2.852 -12.696 1.00 0.00 C ATOM 1063 CD GLN A 71 5.620 3.352 -14.117 1.00 0.00 C ATOM 1064 OE1 GLN A 71 5.334 2.578 -15.032 1.00 0.00 O ATOM 1065 NE2 GLN A 71 5.800 4.654 -14.312 1.00 0.00 N ATOM 0 H GLN A 71 5.312 3.648 -10.124 1.00 0.00 H new ATOM 0 HA GLN A 71 3.610 4.317 -12.060 1.00 0.00 H new ATOM 0 HB2 GLN A 71 4.699 1.564 -11.376 1.00 0.00 H new ATOM 0 HB3 GLN A 71 3.876 1.904 -12.886 1.00 0.00 H new ATOM 0 HG2 GLN A 71 6.180 3.656 -12.075 1.00 0.00 H new ATOM 0 HG3 GLN A 71 6.519 2.047 -12.681 1.00 0.00 H new ATOM 0 HE21 GLN A 71 6.036 5.260 -13.526 1.00 0.00 H new ATOM 0 HE22 GLN A 71 5.702 5.048 -15.248 1.00 0.00 H new ATOM 1074 N GLU A 72 2.086 2.178 -10.071 1.00 0.00 N ATOM 1075 CA GLU A 72 0.780 1.639 -9.710 1.00 0.00 C ATOM 1076 C GLU A 72 -0.132 2.736 -9.171 1.00 0.00 C ATOM 1077 O GLU A 72 -1.234 2.949 -9.678 1.00 0.00 O ATOM 1078 CB GLU A 72 0.933 0.529 -8.667 1.00 0.00 C ATOM 1079 CG GLU A 72 -0.235 -0.442 -8.636 1.00 0.00 C ATOM 1080 CD GLU A 72 -0.493 -1.089 -9.982 1.00 0.00 C ATOM 1081 OE1 GLU A 72 0.469 -1.229 -10.766 1.00 0.00 O ATOM 1082 OE2 GLU A 72 -1.656 -1.454 -10.253 1.00 0.00 O ATOM 0 H GLU A 72 2.842 1.912 -9.440 1.00 0.00 H new ATOM 0 HA GLU A 72 0.326 1.223 -10.609 1.00 0.00 H new ATOM 0 HB2 GLU A 72 1.850 -0.025 -8.870 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.045 0.981 -7.681 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.038 -1.218 -7.896 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.132 0.086 -8.313 1.00 0.00 H new ATOM 1089 N LEU A 73 0.335 3.432 -8.139 1.00 0.00 N ATOM 1090 CA LEU A 73 -0.437 4.508 -7.529 1.00 0.00 C ATOM 1091 C LEU A 73 -1.059 5.404 -8.595 1.00 0.00 C ATOM 1092 O LEU A 73 -2.243 5.733 -8.530 1.00 0.00 O ATOM 1093 CB LEU A 73 0.453 5.340 -6.603 1.00 0.00 C ATOM 1094 CG LEU A 73 0.704 4.757 -5.212 1.00 0.00 C ATOM 1095 CD1 LEU A 73 1.890 5.445 -4.553 1.00 0.00 C ATOM 1096 CD2 LEU A 73 -0.539 4.887 -4.347 1.00 0.00 C ATOM 0 H LEU A 73 1.245 3.270 -7.708 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.240 4.059 -6.944 1.00 0.00 H new ATOM 0 HB2 LEU A 73 1.416 5.487 -7.093 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.001 6.325 -6.486 1.00 0.00 H new ATOM 0 HG LEU A 73 0.937 3.698 -5.319 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.055 5.018 -3.564 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.781 5.299 -5.164 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.685 6.511 -4.458 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.342 4.467 -3.361 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -0.804 5.940 -4.247 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -1.364 4.348 -4.812 1.00 0.00 H new ATOM 1108 N GLN A 74 -0.253 5.792 -9.579 1.00 0.00 N ATOM 1109 CA GLN A 74 -0.726 6.648 -10.660 1.00 0.00 C ATOM 1110 C GLN A 74 -1.953 6.046 -11.334 1.00 0.00 C ATOM 1111 O GLN A 74 -2.930 6.744 -11.606 1.00 0.00 O ATOM 1112 CB GLN A 74 0.384 6.863 -11.691 1.00 0.00 C ATOM 1113 CG GLN A 74 1.650 7.469 -11.106 1.00 0.00 C ATOM 1114 CD GLN A 74 2.739 7.658 -12.143 1.00 0.00 C ATOM 1115 OE1 GLN A 74 2.481 8.115 -13.256 1.00 0.00 O ATOM 1116 NE2 GLN A 74 3.968 7.306 -11.781 1.00 0.00 N ATOM 0 H GLN A 74 0.729 5.527 -9.649 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.006 7.610 -10.232 1.00 0.00 H new ATOM 0 HB2 GLN A 74 0.629 5.907 -12.153 1.00 0.00 H new ATOM 0 HB3 GLN A 74 0.012 7.514 -12.482 1.00 0.00 H new ATOM 0 HG2 GLN A 74 1.412 8.432 -10.655 1.00 0.00 H new ATOM 0 HG3 GLN A 74 2.021 6.826 -10.308 1.00 0.00 H new ATOM 0 HE21 GLN A 74 4.137 6.931 -10.848 1.00 0.00 H new ATOM 0 HE22 GLN A 74 4.742 7.411 -12.437 1.00 0.00 H new ATOM 1125 N ARG A 75 -1.896 4.745 -11.603 1.00 0.00 N ATOM 1126 CA ARG A 75 -3.003 4.049 -12.248 1.00 0.00 C ATOM 1127 C ARG A 75 -4.308 4.284 -11.491 1.00 0.00 C ATOM 1128 O ARG A 75 -5.387 4.289 -12.083 1.00 0.00 O ATOM 1129 CB ARG A 75 -2.712 2.549 -12.330 1.00 0.00 C ATOM 1130 CG ARG A 75 -1.499 2.210 -13.180 1.00 0.00 C ATOM 1131 CD ARG A 75 -1.335 0.708 -13.344 1.00 0.00 C ATOM 1132 NE ARG A 75 -0.627 0.365 -14.574 1.00 0.00 N ATOM 1133 CZ ARG A 75 -0.691 -0.829 -15.151 1.00 0.00 C ATOM 1134 NH1 ARG A 75 -1.430 -1.790 -14.613 1.00 0.00 N ATOM 1135 NH2 ARG A 75 -0.018 -1.064 -16.270 1.00 0.00 N ATOM 0 H ARG A 75 -1.095 4.152 -11.384 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.111 4.447 -13.257 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.559 2.162 -11.323 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.585 2.040 -12.738 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.599 2.675 -14.161 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -0.603 2.627 -12.720 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -0.791 0.307 -12.489 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.317 0.235 -13.347 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.051 1.083 -15.014 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.951 -1.613 -13.754 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.478 -2.706 -15.058 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.550 -0.327 -16.688 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.068 -1.982 -16.712 1.00 0.00 H new ATOM 1149 N TRP A 76 -4.199 4.478 -10.182 1.00 0.00 N ATOM 1150 CA TRP A 76 -5.370 4.712 -9.344 1.00 0.00 C ATOM 1151 C TRP A 76 -5.708 6.197 -9.286 1.00 0.00 C ATOM 1152 O TRP A 76 -6.722 6.634 -9.830 1.00 0.00 O ATOM 1153 CB TRP A 76 -5.129 4.175 -7.933 1.00 0.00 C ATOM 1154 CG TRP A 76 -4.855 2.702 -7.897 1.00 0.00 C ATOM 1155 CD1 TRP A 76 -3.643 2.098 -7.710 1.00 0.00 C ATOM 1156 CD2 TRP A 76 -5.811 1.648 -8.052 1.00 0.00 C ATOM 1157 NE1 TRP A 76 -3.790 0.733 -7.741 1.00 0.00 N ATOM 1158 CE2 TRP A 76 -5.109 0.431 -7.948 1.00 0.00 C ATOM 1159 CE3 TRP A 76 -7.191 1.614 -8.267 1.00 0.00 C ATOM 1160 CZ2 TRP A 76 -5.744 -0.804 -8.054 1.00 0.00 C ATOM 1161 CZ3 TRP A 76 -7.819 0.387 -8.372 1.00 0.00 C ATOM 1162 CH2 TRP A 76 -7.095 -0.808 -8.264 1.00 0.00 C ATOM 0 H TRP A 76 -3.312 4.478 -9.678 1.00 0.00 H new ATOM 0 HA TRP A 76 -6.214 4.183 -9.786 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -4.286 4.705 -7.489 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -6.001 4.390 -7.316 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -2.708 2.618 -7.560 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -3.038 0.054 -7.628 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -7.757 2.530 -8.350 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -5.188 -1.727 -7.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -8.885 0.349 -8.540 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -7.615 -1.751 -8.348 1.00 0.00 H new ATOM 1173 N ALA A 77 -4.853 6.970 -8.623 1.00 0.00 N ATOM 1174 CA ALA A 77 -5.061 8.407 -8.496 1.00 0.00 C ATOM 1175 C ALA A 77 -4.626 9.138 -9.761 1.00 0.00 C ATOM 1176 O ALA A 77 -5.459 9.620 -10.529 1.00 0.00 O ATOM 1177 CB ALA A 77 -4.308 8.944 -7.288 1.00 0.00 C ATOM 0 H ALA A 77 -4.009 6.624 -8.166 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.127 8.584 -8.354 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -4.472 10.018 -7.205 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.669 8.451 -6.385 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.242 8.748 -7.407 1.00 0.00 H new ATOM 1183 N GLY A 78 -3.316 9.219 -9.973 1.00 0.00 N ATOM 1184 CA GLY A 78 -2.795 9.894 -11.146 1.00 0.00 C ATOM 1185 C GLY A 78 -1.382 10.403 -10.941 1.00 0.00 C ATOM 1186 O GLY A 78 -0.416 9.639 -10.944 1.00 0.00 O ATOM 0 H GLY A 78 -2.606 8.829 -9.353 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.812 9.209 -11.993 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -3.446 10.730 -11.400 1.00 0.00 H new ATOM 1190 N PRO A 79 -1.245 11.725 -10.761 1.00 0.00 N ATOM 1191 CA PRO A 79 0.057 12.366 -10.552 1.00 0.00 C ATOM 1192 C PRO A 79 0.663 12.019 -9.196 1.00 0.00 C ATOM 1193 O PRO A 79 0.119 12.380 -8.151 1.00 0.00 O ATOM 1194 CB PRO A 79 -0.267 13.860 -10.626 1.00 0.00 C ATOM 1195 CG PRO A 79 -1.703 13.956 -10.242 1.00 0.00 C ATOM 1196 CD PRO A 79 -2.351 12.696 -10.746 1.00 0.00 C ATOM 0 HA PRO A 79 0.794 12.039 -11.285 1.00 0.00 H new ATOM 0 HB2 PRO A 79 0.363 14.436 -9.948 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -0.098 14.252 -11.629 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -1.813 14.046 -9.161 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -2.167 14.838 -10.684 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -3.161 12.372 -10.093 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -2.778 12.834 -11.739 1.00 0.00 H new ATOM 1204 N LEU A 80 1.790 11.317 -9.218 1.00 0.00 N ATOM 1205 CA LEU A 80 2.471 10.921 -7.991 1.00 0.00 C ATOM 1206 C LEU A 80 3.921 11.394 -7.996 1.00 0.00 C ATOM 1207 O LEU A 80 4.649 11.234 -8.975 1.00 0.00 O ATOM 1208 CB LEU A 80 2.418 9.402 -7.822 1.00 0.00 C ATOM 1209 CG LEU A 80 1.197 8.851 -7.084 1.00 0.00 C ATOM 1210 CD1 LEU A 80 1.230 9.257 -5.618 1.00 0.00 C ATOM 1211 CD2 LEU A 80 -0.087 9.332 -7.744 1.00 0.00 C ATOM 0 H LEU A 80 2.252 11.010 -10.074 1.00 0.00 H new ATOM 0 HA LEU A 80 1.958 11.391 -7.152 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.457 8.945 -8.811 1.00 0.00 H new ATOM 0 HB3 LEU A 80 3.314 9.084 -7.289 1.00 0.00 H new ATOM 0 HG LEU A 80 1.224 7.763 -7.139 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.353 8.856 -5.110 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.133 8.862 -5.151 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.228 10.344 -5.541 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.945 8.930 -7.206 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.122 10.421 -7.721 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.115 8.990 -8.778 1.00 0.00 H new ATOM 1223 N PRO A 81 4.353 11.989 -6.873 1.00 0.00 N ATOM 1224 CA PRO A 81 5.722 12.493 -6.722 1.00 0.00 C ATOM 1225 C PRO A 81 6.748 11.370 -6.639 1.00 0.00 C ATOM 1226 O PRO A 81 6.397 10.191 -6.678 1.00 0.00 O ATOM 1227 CB PRO A 81 5.669 13.269 -5.403 1.00 0.00 C ATOM 1228 CG PRO A 81 4.552 12.645 -4.640 1.00 0.00 C ATOM 1229 CD PRO A 81 3.540 12.213 -5.666 1.00 0.00 C ATOM 0 HA PRO A 81 6.031 13.096 -7.576 1.00 0.00 H new ATOM 0 HB2 PRO A 81 6.611 13.191 -4.860 1.00 0.00 H new ATOM 0 HB3 PRO A 81 5.487 14.330 -5.575 1.00 0.00 H new ATOM 0 HG2 PRO A 81 4.905 11.794 -4.058 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.116 13.354 -3.936 1.00 0.00 H new ATOM 0 HD2 PRO A 81 3.018 11.307 -5.359 1.00 0.00 H new ATOM 0 HD3 PRO A 81 2.781 12.978 -5.829 1.00 0.00 H new ATOM 1237 N ALA A 82 8.019 11.743 -6.523 1.00 0.00 N ATOM 1238 CA ALA A 82 9.096 10.765 -6.433 1.00 0.00 C ATOM 1239 C ALA A 82 9.847 10.898 -5.111 1.00 0.00 C ATOM 1240 O ALA A 82 9.841 9.983 -4.287 1.00 0.00 O ATOM 1241 CB ALA A 82 10.054 10.925 -7.604 1.00 0.00 C ATOM 0 H ALA A 82 8.327 12.715 -6.489 1.00 0.00 H new ATOM 0 HA ALA A 82 8.654 9.769 -6.473 1.00 0.00 H new ATOM 0 HB1 ALA A 82 10.853 10.188 -7.524 1.00 0.00 H new ATOM 0 HB2 ALA A 82 9.514 10.774 -8.539 1.00 0.00 H new ATOM 0 HB3 ALA A 82 10.482 11.927 -7.590 1.00 0.00 H new ATOM 1247 N THR A 83 10.495 12.043 -4.916 1.00 0.00 N ATOM 1248 CA THR A 83 11.251 12.295 -3.696 1.00 0.00 C ATOM 1249 C THR A 83 10.369 12.151 -2.462 1.00 0.00 C ATOM 1250 O THR A 83 10.724 11.457 -1.509 1.00 0.00 O ATOM 1251 CB THR A 83 11.879 13.702 -3.705 1.00 0.00 C ATOM 1252 OG1 THR A 83 10.854 14.694 -3.822 1.00 0.00 O ATOM 1253 CG2 THR A 83 12.866 13.847 -4.853 1.00 0.00 C ATOM 0 H THR A 83 10.511 12.810 -5.588 1.00 0.00 H new ATOM 0 HA THR A 83 12.046 11.551 -3.658 1.00 0.00 H new ATOM 0 HB THR A 83 12.415 13.843 -2.767 1.00 0.00 H new ATOM 0 HG1 THR A 83 11.261 15.586 -3.825 1.00 0.00 H new ATOM 0 HG21 THR A 83 13.296 14.848 -4.839 1.00 0.00 H new ATOM 0 HG22 THR A 83 13.661 13.109 -4.745 1.00 0.00 H new ATOM 0 HG23 THR A 83 12.349 13.688 -5.799 1.00 0.00 H new ATOM 1261 N HIS A 84 9.216 12.812 -2.485 1.00 0.00 N ATOM 1262 CA HIS A 84 8.281 12.757 -1.367 1.00 0.00 C ATOM 1263 C HIS A 84 8.302 11.381 -0.709 1.00 0.00 C ATOM 1264 O HIS A 84 8.505 11.261 0.500 1.00 0.00 O ATOM 1265 CB HIS A 84 6.865 13.087 -1.842 1.00 0.00 C ATOM 1266 CG HIS A 84 6.667 14.534 -2.175 1.00 0.00 C ATOM 1267 ND1 HIS A 84 5.637 15.291 -1.659 1.00 0.00 N ATOM 1268 CD2 HIS A 84 7.376 15.363 -2.977 1.00 0.00 C ATOM 1269 CE1 HIS A 84 5.720 16.523 -2.130 1.00 0.00 C ATOM 1270 NE2 HIS A 84 6.767 16.593 -2.932 1.00 0.00 N ATOM 0 H HIS A 84 8.907 13.392 -3.265 1.00 0.00 H new ATOM 0 HA HIS A 84 8.590 13.498 -0.630 1.00 0.00 H new ATOM 0 HB2 HIS A 84 6.636 12.486 -2.722 1.00 0.00 H new ATOM 0 HB3 HIS A 84 6.154 12.801 -1.067 1.00 0.00 H new ATOM 0 HD1 HIS A 84 4.922 14.953 -1.014 1.00 0.00 H new ATOM 0 HD2 HIS A 84 8.257 15.105 -3.546 1.00 0.00 H new ATOM 0 HE1 HIS A 84 5.046 17.335 -1.898 1.00 0.00 H new ATOM 1279 N LEU A 85 8.089 10.343 -1.511 1.00 0.00 N ATOM 1280 CA LEU A 85 8.083 8.975 -1.008 1.00 0.00 C ATOM 1281 C LEU A 85 9.224 8.752 -0.020 1.00 0.00 C ATOM 1282 O LEU A 85 10.333 9.252 -0.215 1.00 0.00 O ATOM 1283 CB LEU A 85 8.195 7.982 -2.166 1.00 0.00 C ATOM 1284 CG LEU A 85 8.316 6.509 -1.779 1.00 0.00 C ATOM 1285 CD1 LEU A 85 7.038 6.025 -1.110 1.00 0.00 C ATOM 1286 CD2 LEU A 85 8.633 5.660 -3.002 1.00 0.00 C ATOM 0 H LEU A 85 7.918 10.424 -2.513 1.00 0.00 H new ATOM 0 HA LEU A 85 7.139 8.811 -0.488 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.319 8.098 -2.804 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.064 8.252 -2.766 1.00 0.00 H new ATOM 0 HG LEU A 85 9.136 6.407 -1.068 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.143 4.974 -0.842 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.853 6.612 -0.211 1.00 0.00 H new ATOM 0 HD13 LEU A 85 6.201 6.142 -1.798 1.00 0.00 H new ATOM 0 HD21 LEU A 85 8.716 4.614 -2.707 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.835 5.768 -3.737 1.00 0.00 H new ATOM 0 HD23 LEU A 85 9.576 5.989 -3.439 1.00 0.00 H new ATOM 1298 N ARG A 86 8.948 7.998 1.037 1.00 0.00 N ATOM 1299 CA ARG A 86 9.951 7.707 2.054 1.00 0.00 C ATOM 1300 C ARG A 86 9.558 6.482 2.873 1.00 0.00 C ATOM 1301 O ARG A 86 8.424 6.373 3.342 1.00 0.00 O ATOM 1302 CB ARG A 86 10.136 8.914 2.976 1.00 0.00 C ATOM 1303 CG ARG A 86 8.908 9.235 3.813 1.00 0.00 C ATOM 1304 CD ARG A 86 9.164 10.401 4.755 1.00 0.00 C ATOM 1305 NE ARG A 86 7.928 10.921 5.331 1.00 0.00 N ATOM 1306 CZ ARG A 86 7.140 11.795 4.715 1.00 0.00 C ATOM 1307 NH1 ARG A 86 7.459 12.244 3.509 1.00 0.00 N ATOM 1308 NH2 ARG A 86 6.031 12.221 5.305 1.00 0.00 N ATOM 0 H ARG A 86 8.036 7.576 1.212 1.00 0.00 H new ATOM 0 HA ARG A 86 10.893 7.495 1.549 1.00 0.00 H new ATOM 0 HB2 ARG A 86 10.979 8.727 3.641 1.00 0.00 H new ATOM 0 HB3 ARG A 86 10.392 9.785 2.373 1.00 0.00 H new ATOM 0 HG2 ARG A 86 8.071 9.473 3.156 1.00 0.00 H new ATOM 0 HG3 ARG A 86 8.620 8.356 4.390 1.00 0.00 H new ATOM 0 HD2 ARG A 86 9.830 10.080 5.556 1.00 0.00 H new ATOM 0 HD3 ARG A 86 9.675 11.198 4.215 1.00 0.00 H new ATOM 0 HE ARG A 86 7.654 10.595 6.258 1.00 0.00 H new ATOM 0 HH11 ARG A 86 8.311 11.918 3.052 1.00 0.00 H new ATOM 0 HH12 ARG A 86 6.852 12.915 3.038 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.783 11.877 6.233 1.00 0.00 H new ATOM 0 HH22 ARG A 86 5.427 12.892 4.831 1.00 0.00 H new ATOM 1322 N HIS A 87 10.501 5.562 3.043 1.00 0.00 N ATOM 1323 CA HIS A 87 10.253 4.344 3.805 1.00 0.00 C ATOM 1324 C HIS A 87 10.067 4.659 5.286 1.00 0.00 C ATOM 1325 O HIS A 87 10.945 5.244 5.923 1.00 0.00 O ATOM 1326 CB HIS A 87 11.408 3.358 3.623 1.00 0.00 C ATOM 1327 CG HIS A 87 11.340 2.178 4.542 1.00 0.00 C ATOM 1328 ND1 HIS A 87 12.132 2.051 5.664 1.00 0.00 N ATOM 1329 CD2 HIS A 87 10.565 1.068 4.504 1.00 0.00 C ATOM 1330 CE1 HIS A 87 11.849 0.914 6.274 1.00 0.00 C ATOM 1331 NE2 HIS A 87 10.900 0.299 5.589 1.00 0.00 N ATOM 0 H HIS A 87 11.445 5.637 2.663 1.00 0.00 H new ATOM 0 HA HIS A 87 9.336 3.890 3.429 1.00 0.00 H new ATOM 0 HB2 HIS A 87 11.414 3.005 2.592 1.00 0.00 H new ATOM 0 HB3 HIS A 87 12.350 3.881 3.786 1.00 0.00 H new ATOM 0 HD2 HIS A 87 9.821 0.832 3.758 1.00 0.00 H new ATOM 0 HE1 HIS A 87 12.314 0.549 7.178 1.00 0.00 H new ATOM 0 HE2 HIS A 87 10.485 -0.601 5.829 1.00 0.00 H new ATOM 1340 N LEU A 88 8.919 4.268 5.829 1.00 0.00 N ATOM 1341 CA LEU A 88 8.617 4.509 7.236 1.00 0.00 C ATOM 1342 C LEU A 88 8.170 3.224 7.926 1.00 0.00 C ATOM 1343 O LEU A 88 6.992 2.872 7.901 1.00 0.00 O ATOM 1344 CB LEU A 88 7.530 5.577 7.368 1.00 0.00 C ATOM 1345 CG LEU A 88 7.744 6.858 6.560 1.00 0.00 C ATOM 1346 CD1 LEU A 88 6.475 7.696 6.542 1.00 0.00 C ATOM 1347 CD2 LEU A 88 8.906 7.658 7.129 1.00 0.00 C ATOM 0 H LEU A 88 8.182 3.783 5.317 1.00 0.00 H new ATOM 0 HA LEU A 88 9.527 4.862 7.722 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.579 5.137 7.068 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.439 5.846 8.420 1.00 0.00 H new ATOM 0 HG LEU A 88 7.987 6.582 5.534 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.646 8.603 5.963 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.667 7.123 6.088 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.201 7.964 7.563 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.044 8.566 6.542 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.692 7.924 8.164 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.815 7.058 7.089 1.00 0.00 H new ATOM 1359 N GLY A 89 9.121 2.528 8.543 1.00 0.00 N ATOM 1360 CA GLY A 89 8.806 1.291 9.232 1.00 0.00 C ATOM 1361 C GLY A 89 8.347 0.200 8.284 1.00 0.00 C ATOM 1362 O GLY A 89 8.307 0.400 7.072 1.00 0.00 O ATOM 0 H GLY A 89 10.104 2.799 8.577 1.00 0.00 H new ATOM 0 HA2 GLY A 89 9.685 0.948 9.777 1.00 0.00 H new ATOM 0 HA3 GLY A 89 8.026 1.478 9.970 1.00 0.00 H new ATOM 1366 N GLU A 90 8.002 -0.958 8.840 1.00 0.00 N ATOM 1367 CA GLU A 90 7.548 -2.085 8.035 1.00 0.00 C ATOM 1368 C GLU A 90 6.479 -2.885 8.773 1.00 0.00 C ATOM 1369 O GLU A 90 6.219 -2.654 9.954 1.00 0.00 O ATOM 1370 CB GLU A 90 8.725 -2.994 7.679 1.00 0.00 C ATOM 1371 CG GLU A 90 9.162 -3.900 8.819 1.00 0.00 C ATOM 1372 CD GLU A 90 10.019 -3.177 9.841 1.00 0.00 C ATOM 1373 OE1 GLU A 90 10.727 -2.224 9.454 1.00 0.00 O ATOM 1374 OE2 GLU A 90 9.980 -3.565 11.028 1.00 0.00 O ATOM 0 H GLU A 90 8.028 -1.139 9.843 1.00 0.00 H new ATOM 0 HA GLU A 90 7.113 -1.690 7.117 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.452 -3.609 6.822 1.00 0.00 H new ATOM 0 HB3 GLU A 90 9.570 -2.377 7.372 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.280 -4.308 9.313 1.00 0.00 H new ATOM 0 HG3 GLU A 90 9.720 -4.744 8.414 1.00 0.00 H new ATOM 1381 N VAL A 91 5.861 -3.828 8.068 1.00 0.00 N ATOM 1382 CA VAL A 91 4.820 -4.663 8.656 1.00 0.00 C ATOM 1383 C VAL A 91 4.896 -6.090 8.125 1.00 0.00 C ATOM 1384 O VAL A 91 4.698 -6.332 6.935 1.00 0.00 O ATOM 1385 CB VAL A 91 3.417 -4.095 8.371 1.00 0.00 C ATOM 1386 CG1 VAL A 91 2.344 -5.088 8.791 1.00 0.00 C ATOM 1387 CG2 VAL A 91 3.229 -2.762 9.080 1.00 0.00 C ATOM 0 H VAL A 91 6.063 -4.033 7.089 1.00 0.00 H new ATOM 0 HA VAL A 91 4.989 -4.669 9.733 1.00 0.00 H new ATOM 0 HB VAL A 91 3.322 -3.927 7.298 1.00 0.00 H new ATOM 0 HG11 VAL A 91 1.359 -4.670 8.582 1.00 0.00 H new ATOM 0 HG12 VAL A 91 2.469 -6.016 8.234 1.00 0.00 H new ATOM 0 HG13 VAL A 91 2.433 -5.290 9.858 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.232 -2.375 8.868 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.343 -2.902 10.155 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.977 -2.053 8.726 1.00 0.00 H new ATOM 1397 N VAL A 92 5.182 -7.032 9.017 1.00 0.00 N ATOM 1398 CA VAL A 92 5.282 -8.437 8.640 1.00 0.00 C ATOM 1399 C VAL A 92 4.364 -9.304 9.494 1.00 0.00 C ATOM 1400 O VAL A 92 4.570 -9.445 10.700 1.00 0.00 O ATOM 1401 CB VAL A 92 6.728 -8.953 8.775 1.00 0.00 C ATOM 1402 CG1 VAL A 92 6.776 -10.462 8.584 1.00 0.00 C ATOM 1403 CG2 VAL A 92 7.638 -8.252 7.778 1.00 0.00 C ATOM 0 H VAL A 92 5.349 -6.848 10.006 1.00 0.00 H new ATOM 0 HA VAL A 92 4.974 -8.506 7.597 1.00 0.00 H new ATOM 0 HB VAL A 92 7.085 -8.726 9.780 1.00 0.00 H new ATOM 0 HG11 VAL A 92 7.805 -10.809 8.683 1.00 0.00 H new ATOM 0 HG12 VAL A 92 6.156 -10.944 9.340 1.00 0.00 H new ATOM 0 HG13 VAL A 92 6.401 -10.715 7.592 1.00 0.00 H new ATOM 0 HG21 VAL A 92 8.655 -8.628 7.887 1.00 0.00 H new ATOM 0 HG22 VAL A 92 7.286 -8.446 6.765 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.626 -7.179 7.967 1.00 0.00 H new ATOM 1413 N HIS A 93 3.347 -9.882 8.862 1.00 0.00 N ATOM 1414 CA HIS A 93 2.396 -10.736 9.565 1.00 0.00 C ATOM 1415 C HIS A 93 2.730 -12.210 9.353 1.00 0.00 C ATOM 1416 O HIS A 93 2.607 -12.733 8.245 1.00 0.00 O ATOM 1417 CB HIS A 93 0.973 -10.450 9.086 1.00 0.00 C ATOM 1418 CG HIS A 93 -0.069 -11.276 9.777 1.00 0.00 C ATOM 1419 ND1 HIS A 93 -0.688 -10.883 10.945 1.00 0.00 N ATOM 1420 CD2 HIS A 93 -0.600 -12.479 9.458 1.00 0.00 C ATOM 1421 CE1 HIS A 93 -1.553 -11.809 11.314 1.00 0.00 C ATOM 1422 NE2 HIS A 93 -1.520 -12.789 10.429 1.00 0.00 N ATOM 0 H HIS A 93 3.160 -9.775 7.865 1.00 0.00 H new ATOM 0 HA HIS A 93 2.465 -10.516 10.630 1.00 0.00 H new ATOM 0 HB2 HIS A 93 0.751 -9.394 9.243 1.00 0.00 H new ATOM 0 HB3 HIS A 93 0.916 -10.632 8.013 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -0.347 -13.083 8.599 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -2.182 -11.772 12.191 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -2.085 -13.637 10.462 1.00 0.00 H new ATOM 1431 N THR A 94 3.155 -12.875 10.423 1.00 0.00 N ATOM 1432 CA THR A 94 3.509 -14.287 10.354 1.00 0.00 C ATOM 1433 C THR A 94 2.269 -15.169 10.432 1.00 0.00 C ATOM 1434 O THR A 94 1.715 -15.385 11.510 1.00 0.00 O ATOM 1435 CB THR A 94 4.476 -14.679 11.487 1.00 0.00 C ATOM 1436 OG1 THR A 94 5.609 -13.805 11.488 1.00 0.00 O ATOM 1437 CG2 THR A 94 4.941 -16.119 11.327 1.00 0.00 C ATOM 0 H THR A 94 3.262 -12.458 11.348 1.00 0.00 H new ATOM 0 HA THR A 94 4.002 -14.443 9.395 1.00 0.00 H new ATOM 0 HB THR A 94 3.946 -14.588 12.435 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.218 -14.060 12.212 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.623 -16.373 12.138 1.00 0.00 H new ATOM 0 HG22 THR A 94 4.079 -16.785 11.355 1.00 0.00 H new ATOM 0 HG23 THR A 94 5.455 -16.231 10.372 1.00 0.00 H new ATOM 1445 N PHE A 95 1.836 -15.677 9.283 1.00 0.00 N ATOM 1446 CA PHE A 95 0.659 -16.536 9.221 1.00 0.00 C ATOM 1447 C PHE A 95 0.954 -17.906 9.825 1.00 0.00 C ATOM 1448 O PHE A 95 2.064 -18.165 10.291 1.00 0.00 O ATOM 1449 CB PHE A 95 0.192 -16.696 7.773 1.00 0.00 C ATOM 1450 CG PHE A 95 -0.659 -15.556 7.289 1.00 0.00 C ATOM 1451 CD1 PHE A 95 -2.024 -15.545 7.526 1.00 0.00 C ATOM 1452 CD2 PHE A 95 -0.094 -14.496 6.598 1.00 0.00 C ATOM 1453 CE1 PHE A 95 -2.810 -14.498 7.082 1.00 0.00 C ATOM 1454 CE2 PHE A 95 -0.875 -13.447 6.151 1.00 0.00 C ATOM 1455 CZ PHE A 95 -2.234 -13.448 6.395 1.00 0.00 C ATOM 0 H PHE A 95 2.283 -15.509 8.382 1.00 0.00 H new ATOM 0 HA PHE A 95 -0.134 -16.064 9.801 1.00 0.00 H new ATOM 0 HB2 PHE A 95 1.064 -16.788 7.126 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -0.372 -17.624 7.682 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -2.479 -16.364 8.064 1.00 0.00 H new ATOM 0 HD2 PHE A 95 0.969 -14.490 6.407 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -3.873 -14.501 7.272 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -0.423 -12.628 5.612 1.00 0.00 H new ATOM 0 HZ PHE A 95 -2.846 -12.628 6.049 1.00 0.00 H new ATOM 1465 N SER A 96 -0.049 -18.779 9.815 1.00 0.00 N ATOM 1466 CA SER A 96 0.100 -20.121 10.366 1.00 0.00 C ATOM 1467 C SER A 96 1.218 -20.879 9.654 1.00 0.00 C ATOM 1468 O SER A 96 2.121 -21.420 10.292 1.00 0.00 O ATOM 1469 CB SER A 96 -1.214 -20.894 10.243 1.00 0.00 C ATOM 1470 OG SER A 96 -2.218 -20.324 11.065 1.00 0.00 O ATOM 0 H SER A 96 -0.973 -18.581 9.431 1.00 0.00 H new ATOM 0 HA SER A 96 0.361 -20.028 11.420 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.545 -20.892 9.204 1.00 0.00 H new ATOM 0 HB3 SER A 96 -1.055 -21.935 10.525 1.00 0.00 H new ATOM 0 HG SER A 96 -3.049 -20.834 10.968 1.00 0.00 H new ATOM 1476 N HIS A 97 1.148 -20.915 8.327 1.00 0.00 N ATOM 1477 CA HIS A 97 2.153 -21.606 7.527 1.00 0.00 C ATOM 1478 C HIS A 97 2.659 -20.711 6.400 1.00 0.00 C ATOM 1479 O HIS A 97 3.143 -21.198 5.377 1.00 0.00 O ATOM 1480 CB HIS A 97 1.574 -22.898 6.948 1.00 0.00 C ATOM 1481 CG HIS A 97 0.136 -22.783 6.548 1.00 0.00 C ATOM 1482 ND1 HIS A 97 -0.738 -23.849 6.569 1.00 0.00 N ATOM 1483 CD2 HIS A 97 -0.581 -21.720 6.117 1.00 0.00 C ATOM 1484 CE1 HIS A 97 -1.930 -23.448 6.166 1.00 0.00 C ATOM 1485 NE2 HIS A 97 -1.861 -22.159 5.886 1.00 0.00 N ATOM 0 H HIS A 97 0.406 -20.474 7.783 1.00 0.00 H new ATOM 0 HA HIS A 97 2.993 -21.852 8.176 1.00 0.00 H new ATOM 0 HB2 HIS A 97 2.162 -23.192 6.079 1.00 0.00 H new ATOM 0 HB3 HIS A 97 1.675 -23.694 7.686 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -0.215 -20.713 5.980 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -2.810 -24.068 6.080 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -2.634 -21.583 5.552 1.00 0.00 H new ATOM 1494 N ILE A 98 2.544 -19.402 6.594 1.00 0.00 N ATOM 1495 CA ILE A 98 2.992 -18.440 5.593 1.00 0.00 C ATOM 1496 C ILE A 98 3.596 -17.204 6.251 1.00 0.00 C ATOM 1497 O ILE A 98 3.275 -16.875 7.393 1.00 0.00 O ATOM 1498 CB ILE A 98 1.834 -18.005 4.674 1.00 0.00 C ATOM 1499 CG1 ILE A 98 1.258 -19.216 3.937 1.00 0.00 C ATOM 1500 CG2 ILE A 98 2.310 -16.954 3.684 1.00 0.00 C ATOM 1501 CD1 ILE A 98 -0.164 -19.013 3.462 1.00 0.00 C ATOM 0 H ILE A 98 2.145 -18.983 7.434 1.00 0.00 H new ATOM 0 HA ILE A 98 3.754 -18.938 4.994 1.00 0.00 H new ATOM 0 HB ILE A 98 1.047 -17.567 5.288 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.890 -19.444 3.079 1.00 0.00 H new ATOM 0 HG13 ILE A 98 1.292 -20.083 4.597 1.00 0.00 H new ATOM 0 HG21 ILE A 98 1.481 -16.657 3.042 1.00 0.00 H new ATOM 0 HG22 ILE A 98 2.679 -16.084 4.227 1.00 0.00 H new ATOM 0 HG23 ILE A 98 3.112 -17.367 3.073 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -0.508 -19.911 2.948 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -0.809 -18.815 4.318 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -0.201 -18.166 2.777 1.00 0.00 H new ATOM 1513 N LYS A 99 4.470 -16.520 5.520 1.00 0.00 N ATOM 1514 CA LYS A 99 5.118 -15.318 6.029 1.00 0.00 C ATOM 1515 C LYS A 99 5.005 -14.173 5.028 1.00 0.00 C ATOM 1516 O LYS A 99 5.558 -14.239 3.928 1.00 0.00 O ATOM 1517 CB LYS A 99 6.591 -15.597 6.336 1.00 0.00 C ATOM 1518 CG LYS A 99 7.187 -14.657 7.368 1.00 0.00 C ATOM 1519 CD LYS A 99 8.683 -14.483 7.166 1.00 0.00 C ATOM 1520 CE LYS A 99 9.262 -13.464 8.136 1.00 0.00 C ATOM 1521 NZ LYS A 99 9.176 -13.930 9.548 1.00 0.00 N ATOM 0 H LYS A 99 4.746 -16.778 4.573 1.00 0.00 H new ATOM 0 HA LYS A 99 4.611 -15.025 6.948 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.691 -16.623 6.691 1.00 0.00 H new ATOM 0 HB3 LYS A 99 7.166 -15.521 5.413 1.00 0.00 H new ATOM 0 HG2 LYS A 99 6.695 -13.686 7.304 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.997 -15.046 8.368 1.00 0.00 H new ATOM 0 HD2 LYS A 99 9.183 -15.442 7.302 1.00 0.00 H new ATOM 0 HD3 LYS A 99 8.878 -14.164 6.142 1.00 0.00 H new ATOM 0 HE2 LYS A 99 10.304 -13.271 7.880 1.00 0.00 H new ATOM 0 HE3 LYS A 99 8.728 -12.520 8.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 9.671 -13.256 10.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 8.178 -13.993 9.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 9.620 -14.867 9.632 1.00 0.00 H new ATOM 1535 N LEU A 100 4.287 -13.124 5.413 1.00 0.00 N ATOM 1536 CA LEU A 100 4.103 -11.963 4.549 1.00 0.00 C ATOM 1537 C LEU A 100 5.003 -10.811 4.983 1.00 0.00 C ATOM 1538 O LEU A 100 5.114 -10.510 6.173 1.00 0.00 O ATOM 1539 CB LEU A 100 2.640 -11.517 4.565 1.00 0.00 C ATOM 1540 CG LEU A 100 1.732 -12.151 3.511 1.00 0.00 C ATOM 1541 CD1 LEU A 100 2.189 -11.765 2.112 1.00 0.00 C ATOM 1542 CD2 LEU A 100 1.708 -13.664 3.667 1.00 0.00 C ATOM 0 H LEU A 100 3.822 -13.053 6.318 1.00 0.00 H new ATOM 0 HA LEU A 100 4.378 -12.250 3.534 1.00 0.00 H new ATOM 0 HB2 LEU A 100 2.226 -11.734 5.550 1.00 0.00 H new ATOM 0 HB3 LEU A 100 2.610 -10.435 4.438 1.00 0.00 H new ATOM 0 HG LEU A 100 0.720 -11.775 3.658 1.00 0.00 H new ATOM 0 HD11 LEU A 100 1.531 -12.225 1.375 1.00 0.00 H new ATOM 0 HD12 LEU A 100 2.153 -10.681 2.004 1.00 0.00 H new ATOM 0 HD13 LEU A 100 3.210 -12.112 1.954 1.00 0.00 H new ATOM 0 HD21 LEU A 100 1.057 -14.098 2.908 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.717 -14.058 3.547 1.00 0.00 H new ATOM 0 HD23 LEU A 100 1.333 -13.922 4.657 1.00 0.00 H new ATOM 1554 N THR A 101 5.644 -10.169 4.013 1.00 0.00 N ATOM 1555 CA THR A 101 6.534 -9.049 4.296 1.00 0.00 C ATOM 1556 C THR A 101 6.098 -7.797 3.543 1.00 0.00 C ATOM 1557 O THR A 101 6.414 -7.627 2.365 1.00 0.00 O ATOM 1558 CB THR A 101 7.990 -9.380 3.919 1.00 0.00 C ATOM 1559 OG1 THR A 101 8.438 -10.525 4.653 1.00 0.00 O ATOM 1560 CG2 THR A 101 8.905 -8.198 4.205 1.00 0.00 C ATOM 0 H THR A 101 5.564 -10.405 3.024 1.00 0.00 H new ATOM 0 HA THR A 101 6.477 -8.863 5.369 1.00 0.00 H new ATOM 0 HB THR A 101 8.025 -9.597 2.851 1.00 0.00 H new ATOM 0 HG1 THR A 101 9.364 -10.730 4.406 1.00 0.00 H new ATOM 0 HG21 THR A 101 9.928 -8.455 3.931 1.00 0.00 H new ATOM 0 HG22 THR A 101 8.579 -7.336 3.623 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.864 -7.955 5.267 1.00 0.00 H new ATOM 1568 N TYR A 102 5.373 -6.922 4.230 1.00 0.00 N ATOM 1569 CA TYR A 102 4.893 -5.685 3.625 1.00 0.00 C ATOM 1570 C TYR A 102 5.831 -4.524 3.940 1.00 0.00 C ATOM 1571 O TYR A 102 6.515 -4.526 4.963 1.00 0.00 O ATOM 1572 CB TYR A 102 3.482 -5.363 4.122 1.00 0.00 C ATOM 1573 CG TYR A 102 2.407 -6.221 3.492 1.00 0.00 C ATOM 1574 CD1 TYR A 102 2.193 -7.526 3.917 1.00 0.00 C ATOM 1575 CD2 TYR A 102 1.606 -5.725 2.470 1.00 0.00 C ATOM 1576 CE1 TYR A 102 1.214 -8.313 3.343 1.00 0.00 C ATOM 1577 CE2 TYR A 102 0.623 -6.504 1.891 1.00 0.00 C ATOM 1578 CZ TYR A 102 0.431 -7.797 2.331 1.00 0.00 C ATOM 1579 OH TYR A 102 -0.547 -8.577 1.757 1.00 0.00 O ATOM 0 H TYR A 102 5.105 -7.046 5.206 1.00 0.00 H new ATOM 0 HA TYR A 102 4.868 -5.826 2.544 1.00 0.00 H new ATOM 0 HB2 TYR A 102 3.449 -5.491 5.204 1.00 0.00 H new ATOM 0 HB3 TYR A 102 3.264 -4.315 3.918 1.00 0.00 H new ATOM 0 HD1 TYR A 102 2.803 -7.932 4.710 1.00 0.00 H new ATOM 0 HD2 TYR A 102 1.755 -4.713 2.123 1.00 0.00 H new ATOM 0 HE1 TYR A 102 1.062 -9.326 3.684 1.00 0.00 H new ATOM 0 HE2 TYR A 102 0.009 -6.103 1.099 1.00 0.00 H new ATOM 0 HH TYR A 102 -1.008 -8.064 1.061 1.00 0.00 H new ATOM 1589 N GLN A 103 5.855 -3.535 3.053 1.00 0.00 N ATOM 1590 CA GLN A 103 6.710 -2.367 3.235 1.00 0.00 C ATOM 1591 C GLN A 103 5.874 -1.104 3.417 1.00 0.00 C ATOM 1592 O GLN A 103 5.172 -0.675 2.501 1.00 0.00 O ATOM 1593 CB GLN A 103 7.648 -2.204 2.038 1.00 0.00 C ATOM 1594 CG GLN A 103 8.656 -3.334 1.897 1.00 0.00 C ATOM 1595 CD GLN A 103 9.672 -3.354 3.021 1.00 0.00 C ATOM 1596 OE1 GLN A 103 10.711 -2.696 2.947 1.00 0.00 O ATOM 1597 NE2 GLN A 103 9.378 -4.110 4.072 1.00 0.00 N ATOM 0 H GLN A 103 5.293 -3.518 2.202 1.00 0.00 H new ATOM 0 HA GLN A 103 7.305 -2.520 4.135 1.00 0.00 H new ATOM 0 HB2 GLN A 103 7.053 -2.143 1.127 1.00 0.00 H new ATOM 0 HB3 GLN A 103 8.184 -1.260 2.133 1.00 0.00 H new ATOM 0 HG2 GLN A 103 8.127 -4.287 1.874 1.00 0.00 H new ATOM 0 HG3 GLN A 103 9.176 -3.235 0.944 1.00 0.00 H new ATOM 0 HE21 GLN A 103 8.506 -4.639 4.092 1.00 0.00 H new ATOM 0 HE22 GLN A 103 10.024 -4.162 4.860 1.00 0.00 H new ATOM 1606 N VAL A 104 5.955 -0.513 4.605 1.00 0.00 N ATOM 1607 CA VAL A 104 5.207 0.702 4.906 1.00 0.00 C ATOM 1608 C VAL A 104 5.825 1.914 4.219 1.00 0.00 C ATOM 1609 O VAL A 104 7.010 2.200 4.390 1.00 0.00 O ATOM 1610 CB VAL A 104 5.146 0.961 6.423 1.00 0.00 C ATOM 1611 CG1 VAL A 104 4.325 2.207 6.720 1.00 0.00 C ATOM 1612 CG2 VAL A 104 4.576 -0.249 7.148 1.00 0.00 C ATOM 0 H VAL A 104 6.531 -0.856 5.374 1.00 0.00 H new ATOM 0 HA VAL A 104 4.195 0.552 4.529 1.00 0.00 H new ATOM 0 HB VAL A 104 6.160 1.129 6.786 1.00 0.00 H new ATOM 0 HG11 VAL A 104 4.293 2.374 7.797 1.00 0.00 H new ATOM 0 HG12 VAL A 104 4.782 3.068 6.233 1.00 0.00 H new ATOM 0 HG13 VAL A 104 3.311 2.073 6.344 1.00 0.00 H new ATOM 0 HG21 VAL A 104 4.540 -0.048 8.219 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.569 -0.451 6.783 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.210 -1.116 6.963 1.00 0.00 H new ATOM 1622 N TYR A 105 5.015 2.623 3.441 1.00 0.00 N ATOM 1623 CA TYR A 105 5.483 3.804 2.725 1.00 0.00 C ATOM 1624 C TYR A 105 4.499 4.959 2.878 1.00 0.00 C ATOM 1625 O TYR A 105 3.286 4.774 2.780 1.00 0.00 O ATOM 1626 CB TYR A 105 5.683 3.482 1.244 1.00 0.00 C ATOM 1627 CG TYR A 105 6.942 2.695 0.958 1.00 0.00 C ATOM 1628 CD1 TYR A 105 8.193 3.292 1.050 1.00 0.00 C ATOM 1629 CD2 TYR A 105 6.881 1.354 0.600 1.00 0.00 C ATOM 1630 CE1 TYR A 105 9.346 2.577 0.791 1.00 0.00 C ATOM 1631 CE2 TYR A 105 8.029 0.631 0.340 1.00 0.00 C ATOM 1632 CZ TYR A 105 9.259 1.247 0.435 1.00 0.00 C ATOM 1633 OH TYR A 105 10.405 0.530 0.177 1.00 0.00 O ATOM 0 H TYR A 105 4.031 2.401 3.290 1.00 0.00 H new ATOM 0 HA TYR A 105 6.438 4.105 3.156 1.00 0.00 H new ATOM 0 HB2 TYR A 105 4.823 2.917 0.885 1.00 0.00 H new ATOM 0 HB3 TYR A 105 5.711 4.414 0.679 1.00 0.00 H new ATOM 0 HD1 TYR A 105 8.265 4.333 1.329 1.00 0.00 H new ATOM 0 HD2 TYR A 105 5.919 0.868 0.524 1.00 0.00 H new ATOM 0 HE1 TYR A 105 10.311 3.057 0.867 1.00 0.00 H new ATOM 0 HE2 TYR A 105 7.964 -0.411 0.064 1.00 0.00 H new ATOM 0 HH TYR A 105 10.168 -0.391 -0.059 1.00 0.00 H new ATOM 1643 N GLY A 106 5.031 6.154 3.119 1.00 0.00 N ATOM 1644 CA GLY A 106 4.187 7.323 3.281 1.00 0.00 C ATOM 1645 C GLY A 106 4.351 8.318 2.150 1.00 0.00 C ATOM 1646 O GLY A 106 5.464 8.754 1.852 1.00 0.00 O ATOM 0 H GLY A 106 6.032 6.333 3.205 1.00 0.00 H new ATOM 0 HA2 GLY A 106 3.145 7.010 3.337 1.00 0.00 H new ATOM 0 HA3 GLY A 106 4.424 7.810 4.227 1.00 0.00 H new ATOM 1650 N LEU A 107 3.240 8.677 1.515 1.00 0.00 N ATOM 1651 CA LEU A 107 3.265 9.627 0.408 1.00 0.00 C ATOM 1652 C LEU A 107 2.151 10.658 0.549 1.00 0.00 C ATOM 1653 O LEU A 107 0.986 10.370 0.276 1.00 0.00 O ATOM 1654 CB LEU A 107 3.127 8.889 -0.926 1.00 0.00 C ATOM 1655 CG LEU A 107 3.567 9.662 -2.169 1.00 0.00 C ATOM 1656 CD1 LEU A 107 2.573 10.766 -2.492 1.00 0.00 C ATOM 1657 CD2 LEU A 107 4.962 10.239 -1.973 1.00 0.00 C ATOM 0 H LEU A 107 2.311 8.325 1.748 1.00 0.00 H new ATOM 0 HA LEU A 107 4.222 10.149 0.431 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.708 7.968 -0.871 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.084 8.601 -1.053 1.00 0.00 H new ATOM 0 HG LEU A 107 3.596 8.970 -3.011 1.00 0.00 H new ATOM 0 HD11 LEU A 107 2.904 11.305 -3.380 1.00 0.00 H new ATOM 0 HD12 LEU A 107 1.592 10.329 -2.677 1.00 0.00 H new ATOM 0 HD13 LEU A 107 2.510 11.456 -1.651 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.259 10.786 -2.868 1.00 0.00 H new ATOM 0 HD22 LEU A 107 4.959 10.916 -1.119 1.00 0.00 H new ATOM 0 HD23 LEU A 107 5.669 9.429 -1.792 1.00 0.00 H new ATOM 1669 N ALA A 108 2.517 11.863 0.974 1.00 0.00 N ATOM 1670 CA ALA A 108 1.549 12.939 1.148 1.00 0.00 C ATOM 1671 C ALA A 108 1.886 14.129 0.256 1.00 0.00 C ATOM 1672 O ALA A 108 3.018 14.614 0.250 1.00 0.00 O ATOM 1673 CB ALA A 108 1.494 13.369 2.607 1.00 0.00 C ATOM 0 H ALA A 108 3.477 12.118 1.204 1.00 0.00 H new ATOM 0 HA ALA A 108 0.569 12.564 0.854 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.767 14.173 2.722 1.00 0.00 H new ATOM 0 HB2 ALA A 108 1.198 12.521 3.225 1.00 0.00 H new ATOM 0 HB3 ALA A 108 2.477 13.721 2.920 1.00 0.00 H new ATOM 1679 N LEU A 109 0.896 14.596 -0.497 1.00 0.00 N ATOM 1680 CA LEU A 109 1.086 15.730 -1.394 1.00 0.00 C ATOM 1681 C LEU A 109 1.142 17.038 -0.614 1.00 0.00 C ATOM 1682 O LEU A 109 0.112 17.572 -0.205 1.00 0.00 O ATOM 1683 CB LEU A 109 -0.042 15.786 -2.425 1.00 0.00 C ATOM 1684 CG LEU A 109 -0.174 14.569 -3.343 1.00 0.00 C ATOM 1685 CD1 LEU A 109 -1.475 14.631 -4.128 1.00 0.00 C ATOM 1686 CD2 LEU A 109 1.017 14.481 -4.286 1.00 0.00 C ATOM 0 H LEU A 109 -0.047 14.207 -0.504 1.00 0.00 H new ATOM 0 HA LEU A 109 2.036 15.596 -1.911 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -0.985 15.920 -1.895 1.00 0.00 H new ATOM 0 HB3 LEU A 109 0.104 16.670 -3.046 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.190 13.671 -2.725 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.551 13.757 -4.775 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.317 14.645 -3.436 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -1.490 15.536 -4.736 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.906 13.610 -4.931 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.064 15.382 -4.898 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.935 14.388 -3.705 1.00 0.00 H new ATOM 1698 N GLU A 110 2.353 17.551 -0.413 1.00 0.00 N ATOM 1699 CA GLU A 110 2.541 18.799 0.318 1.00 0.00 C ATOM 1700 C GLU A 110 2.016 19.985 -0.487 1.00 0.00 C ATOM 1701 O GLU A 110 1.340 20.861 0.050 1.00 0.00 O ATOM 1702 CB GLU A 110 4.022 19.006 0.643 1.00 0.00 C ATOM 1703 CG GLU A 110 4.329 20.367 1.244 1.00 0.00 C ATOM 1704 CD GLU A 110 3.894 20.478 2.692 1.00 0.00 C ATOM 1705 OE1 GLU A 110 4.127 19.517 3.456 1.00 0.00 O ATOM 1706 OE2 GLU A 110 3.321 21.523 3.062 1.00 0.00 O ATOM 0 H GLU A 110 3.217 17.122 -0.746 1.00 0.00 H new ATOM 0 HA GLU A 110 1.977 18.735 1.248 1.00 0.00 H new ATOM 0 HB2 GLU A 110 4.345 18.230 1.338 1.00 0.00 H new ATOM 0 HB3 GLU A 110 4.606 18.881 -0.269 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.400 20.557 1.175 1.00 0.00 H new ATOM 0 HG3 GLU A 110 3.830 21.139 0.659 1.00 0.00 H new ATOM 1751 N PRO A 114 -3.604 18.157 -7.739 1.00 0.00 N ATOM 1752 CA PRO A 114 -4.672 17.324 -7.179 1.00 0.00 C ATOM 1753 C PRO A 114 -4.966 16.102 -8.041 1.00 0.00 C ATOM 1754 O PRO A 114 -4.495 16.000 -9.173 1.00 0.00 O ATOM 1755 CB PRO A 114 -5.879 18.265 -7.155 1.00 0.00 C ATOM 1756 CG PRO A 114 -5.602 19.265 -8.225 1.00 0.00 C ATOM 1757 CD PRO A 114 -4.110 19.444 -8.247 1.00 0.00 C ATOM 0 HA PRO A 114 -4.407 16.924 -6.201 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -6.806 17.725 -7.348 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -5.987 18.745 -6.183 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -5.967 18.915 -9.190 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -6.105 20.209 -8.017 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -3.745 19.650 -9.253 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -3.796 20.276 -7.617 1.00 0.00 H new ATOM 1765 N VAL A 115 -5.749 15.175 -7.498 1.00 0.00 N ATOM 1766 CA VAL A 115 -6.108 13.960 -8.218 1.00 0.00 C ATOM 1767 C VAL A 115 -7.587 13.957 -8.592 1.00 0.00 C ATOM 1768 O VAL A 115 -7.948 13.739 -9.748 1.00 0.00 O ATOM 1769 CB VAL A 115 -5.798 12.701 -7.386 1.00 0.00 C ATOM 1770 CG1 VAL A 115 -6.508 12.763 -6.042 1.00 0.00 C ATOM 1771 CG2 VAL A 115 -6.193 11.447 -8.149 1.00 0.00 C ATOM 0 H VAL A 115 -6.147 15.243 -6.561 1.00 0.00 H new ATOM 0 HA VAL A 115 -5.507 13.943 -9.127 1.00 0.00 H new ATOM 0 HB VAL A 115 -4.724 12.663 -7.203 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -6.278 11.866 -5.467 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -6.171 13.642 -5.493 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -7.584 12.826 -6.202 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -5.967 10.568 -7.546 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -7.261 11.474 -8.365 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -5.635 11.399 -9.084 1.00 0.00 H new ATOM 1781 N THR A 116 -8.441 14.202 -7.602 1.00 0.00 N ATOM 1782 CA THR A 116 -9.881 14.228 -7.825 1.00 0.00 C ATOM 1783 C THR A 116 -10.284 13.254 -8.926 1.00 0.00 C ATOM 1784 O THR A 116 -11.168 13.544 -9.734 1.00 0.00 O ATOM 1785 CB THR A 116 -10.366 15.641 -8.202 1.00 0.00 C ATOM 1786 OG1 THR A 116 -11.748 15.601 -8.575 1.00 0.00 O ATOM 1787 CG2 THR A 116 -9.543 16.208 -9.349 1.00 0.00 C ATOM 0 H THR A 116 -8.160 14.385 -6.639 1.00 0.00 H new ATOM 0 HA THR A 116 -10.351 13.929 -6.888 1.00 0.00 H new ATOM 0 HB THR A 116 -10.243 16.287 -7.333 1.00 0.00 H new ATOM 0 HG1 THR A 116 -11.859 15.019 -9.356 1.00 0.00 H new ATOM 0 HG21 THR A 116 -9.904 17.206 -9.597 1.00 0.00 H new ATOM 0 HG22 THR A 116 -8.496 16.264 -9.052 1.00 0.00 H new ATOM 0 HG23 THR A 116 -9.639 15.560 -10.220 1.00 0.00 H new ATOM 1795 N THR A 117 -9.633 12.096 -8.954 1.00 0.00 N ATOM 1796 CA THR A 117 -9.924 11.078 -9.956 1.00 0.00 C ATOM 1797 C THR A 117 -9.626 9.682 -9.424 1.00 0.00 C ATOM 1798 O THR A 117 -8.529 9.414 -8.932 1.00 0.00 O ATOM 1799 CB THR A 117 -9.110 11.309 -11.244 1.00 0.00 C ATOM 1800 OG1 THR A 117 -9.478 12.560 -11.837 1.00 0.00 O ATOM 1801 CG2 THR A 117 -9.340 10.183 -12.238 1.00 0.00 C ATOM 0 H THR A 117 -8.900 11.839 -8.293 1.00 0.00 H new ATOM 0 HA THR A 117 -10.986 11.156 -10.187 1.00 0.00 H new ATOM 0 HB THR A 117 -8.052 11.329 -10.982 1.00 0.00 H new ATOM 0 HG1 THR A 117 -9.071 13.294 -11.331 1.00 0.00 H new ATOM 0 HG21 THR A 117 -8.755 10.368 -13.139 1.00 0.00 H new ATOM 0 HG22 THR A 117 -9.032 9.237 -11.793 1.00 0.00 H new ATOM 0 HG23 THR A 117 -10.398 10.136 -12.496 1.00 0.00 H new ATOM 1809 N VAL A 118 -10.609 8.792 -9.525 1.00 0.00 N ATOM 1810 CA VAL A 118 -10.451 7.422 -9.055 1.00 0.00 C ATOM 1811 C VAL A 118 -11.336 6.464 -9.847 1.00 0.00 C ATOM 1812 O VAL A 118 -12.515 6.724 -10.086 1.00 0.00 O ATOM 1813 CB VAL A 118 -10.791 7.297 -7.558 1.00 0.00 C ATOM 1814 CG1 VAL A 118 -12.250 7.651 -7.311 1.00 0.00 C ATOM 1815 CG2 VAL A 118 -10.480 5.896 -7.056 1.00 0.00 C ATOM 0 H VAL A 118 -11.523 8.996 -9.928 1.00 0.00 H new ATOM 0 HA VAL A 118 -9.405 7.156 -9.205 1.00 0.00 H new ATOM 0 HB VAL A 118 -10.172 8.002 -7.002 1.00 0.00 H new ATOM 0 HG11 VAL A 118 -12.472 7.557 -6.248 1.00 0.00 H new ATOM 0 HG12 VAL A 118 -12.435 8.676 -7.631 1.00 0.00 H new ATOM 0 HG13 VAL A 118 -12.890 6.973 -7.877 1.00 0.00 H new ATOM 0 HG21 VAL A 118 -10.726 5.826 -5.997 1.00 0.00 H new ATOM 0 HG22 VAL A 118 -11.071 5.170 -7.615 1.00 0.00 H new ATOM 0 HG23 VAL A 118 -9.420 5.686 -7.196 1.00 0.00 H new ATOM 1825 N PRO A 119 -10.755 5.329 -10.264 1.00 0.00 N ATOM 1826 CA PRO A 119 -11.473 4.309 -11.033 1.00 0.00 C ATOM 1827 C PRO A 119 -12.521 3.581 -10.197 1.00 0.00 C ATOM 1828 O PRO A 119 -12.580 3.721 -8.976 1.00 0.00 O ATOM 1829 CB PRO A 119 -10.366 3.343 -11.461 1.00 0.00 C ATOM 1830 CG PRO A 119 -9.299 3.512 -10.435 1.00 0.00 C ATOM 1831 CD PRO A 119 -9.353 4.954 -10.014 1.00 0.00 C ATOM 0 HA PRO A 119 -12.026 4.742 -11.866 1.00 0.00 H new ATOM 0 HB2 PRO A 119 -10.727 2.315 -11.491 1.00 0.00 H new ATOM 0 HB3 PRO A 119 -9.997 3.580 -12.459 1.00 0.00 H new ATOM 0 HG2 PRO A 119 -9.467 2.851 -9.585 1.00 0.00 H new ATOM 0 HG3 PRO A 119 -8.321 3.262 -10.845 1.00 0.00 H new ATOM 0 HD2 PRO A 119 -9.085 5.077 -8.965 1.00 0.00 H new ATOM 0 HD3 PRO A 119 -8.663 5.568 -10.593 1.00 0.00 H new ATOM 1839 N PRO A 120 -13.366 2.786 -10.868 1.00 0.00 N ATOM 1840 CA PRO A 120 -14.426 2.020 -10.205 1.00 0.00 C ATOM 1841 C PRO A 120 -13.874 0.881 -9.356 1.00 0.00 C ATOM 1842 O PRO A 120 -14.629 0.101 -8.778 1.00 0.00 O ATOM 1843 CB PRO A 120 -15.247 1.466 -11.373 1.00 0.00 C ATOM 1844 CG PRO A 120 -14.292 1.414 -12.516 1.00 0.00 C ATOM 1845 CD PRO A 120 -13.353 2.572 -12.325 1.00 0.00 C ATOM 0 HA PRO A 120 -15.002 2.636 -9.515 1.00 0.00 H new ATOM 0 HB2 PRO A 120 -15.644 0.477 -11.144 1.00 0.00 H new ATOM 0 HB3 PRO A 120 -16.099 2.108 -11.598 1.00 0.00 H new ATOM 0 HG2 PRO A 120 -13.749 0.469 -12.528 1.00 0.00 H new ATOM 0 HG3 PRO A 120 -14.818 1.491 -13.468 1.00 0.00 H new ATOM 0 HD2 PRO A 120 -12.352 2.341 -12.688 1.00 0.00 H new ATOM 0 HD3 PRO A 120 -13.692 3.457 -12.864 1.00 0.00 H new ATOM 1853 N GLY A 121 -12.548 0.790 -9.285 1.00 0.00 N ATOM 1854 CA GLY A 121 -11.917 -0.257 -8.503 1.00 0.00 C ATOM 1855 C GLY A 121 -11.223 0.279 -7.267 1.00 0.00 C ATOM 1856 O GLY A 121 -10.496 -0.447 -6.591 1.00 0.00 O ATOM 0 H GLY A 121 -11.901 1.423 -9.755 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -12.670 -0.987 -8.205 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -11.191 -0.782 -9.124 1.00 0.00 H new ATOM 1860 N ALA A 122 -11.446 1.557 -6.973 1.00 0.00 N ATOM 1861 CA ALA A 122 -10.836 2.190 -5.811 1.00 0.00 C ATOM 1862 C ALA A 122 -11.827 3.109 -5.104 1.00 0.00 C ATOM 1863 O ALA A 122 -12.930 3.345 -5.597 1.00 0.00 O ATOM 1864 CB ALA A 122 -9.596 2.967 -6.224 1.00 0.00 C ATOM 0 H ALA A 122 -12.044 2.173 -7.524 1.00 0.00 H new ATOM 0 HA ALA A 122 -10.544 1.406 -5.112 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -9.151 3.435 -5.346 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -8.875 2.287 -6.678 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -9.872 3.737 -6.944 1.00 0.00 H new ATOM 1870 N ARG A 123 -11.426 3.625 -3.947 1.00 0.00 N ATOM 1871 CA ARG A 123 -12.280 4.516 -3.171 1.00 0.00 C ATOM 1872 C ARG A 123 -11.443 5.476 -2.331 1.00 0.00 C ATOM 1873 O ARG A 123 -10.407 5.098 -1.787 1.00 0.00 O ATOM 1874 CB ARG A 123 -13.210 3.707 -2.265 1.00 0.00 C ATOM 1875 CG ARG A 123 -12.521 3.145 -1.032 1.00 0.00 C ATOM 1876 CD ARG A 123 -13.530 2.707 0.018 1.00 0.00 C ATOM 1877 NE ARG A 123 -14.395 3.806 0.439 1.00 0.00 N ATOM 1878 CZ ARG A 123 -15.524 3.634 1.118 1.00 0.00 C ATOM 1879 NH1 ARG A 123 -15.922 2.414 1.450 1.00 0.00 N ATOM 1880 NH2 ARG A 123 -16.256 4.685 1.466 1.00 0.00 N ATOM 0 H ARG A 123 -10.515 3.441 -3.526 1.00 0.00 H new ATOM 0 HA ARG A 123 -12.881 5.099 -3.868 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -14.039 4.341 -1.950 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -13.637 2.885 -2.839 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -11.899 2.297 -1.316 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -11.858 3.899 -0.609 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -14.141 1.898 -0.382 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -13.002 2.309 0.885 1.00 0.00 H new ATOM 0 HE ARG A 123 -14.117 4.758 0.199 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -15.361 1.605 1.184 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -16.789 2.285 1.971 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -15.952 5.625 1.212 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -17.123 4.553 1.987 1.00 0.00 H new ATOM 1894 N TRP A 124 -11.900 6.719 -2.231 1.00 0.00 N ATOM 1895 CA TRP A 124 -11.193 7.734 -1.457 1.00 0.00 C ATOM 1896 C TRP A 124 -11.951 8.071 -0.179 1.00 0.00 C ATOM 1897 O TRP A 124 -13.039 8.647 -0.223 1.00 0.00 O ATOM 1898 CB TRP A 124 -10.996 8.998 -2.296 1.00 0.00 C ATOM 1899 CG TRP A 124 -9.772 8.953 -3.161 1.00 0.00 C ATOM 1900 CD1 TRP A 124 -9.668 8.401 -4.405 1.00 0.00 C ATOM 1901 CD2 TRP A 124 -8.479 9.478 -2.843 1.00 0.00 C ATOM 1902 NE1 TRP A 124 -8.388 8.553 -4.881 1.00 0.00 N ATOM 1903 CE2 TRP A 124 -7.639 9.211 -3.941 1.00 0.00 C ATOM 1904 CE3 TRP A 124 -7.948 10.151 -1.737 1.00 0.00 C ATOM 1905 CZ2 TRP A 124 -6.300 9.591 -3.964 1.00 0.00 C ATOM 1906 CZ3 TRP A 124 -6.619 10.527 -1.762 1.00 0.00 C ATOM 1907 CH2 TRP A 124 -5.808 10.248 -2.869 1.00 0.00 C ATOM 0 H TRP A 124 -12.757 7.049 -2.676 1.00 0.00 H new ATOM 0 HA TRP A 124 -10.218 7.332 -1.183 1.00 0.00 H new ATOM 0 HB2 TRP A 124 -11.872 9.147 -2.927 1.00 0.00 H new ATOM 0 HB3 TRP A 124 -10.931 9.860 -1.632 1.00 0.00 H new ATOM 0 HD1 TRP A 124 -10.473 7.916 -4.937 1.00 0.00 H new ATOM 0 HE1 TRP A 124 -8.050 8.229 -5.787 1.00 0.00 H new ATOM 0 HE3 TRP A 124 -8.566 10.372 -0.879 1.00 0.00 H new ATOM 0 HZ2 TRP A 124 -5.672 9.375 -4.816 1.00 0.00 H new ATOM 0 HZ3 TRP A 124 -6.198 11.045 -0.913 1.00 0.00 H new ATOM 0 HH2 TRP A 124 -4.773 10.558 -2.858 1.00 0.00 H new ATOM 1918 N LEU A 125 -11.372 7.707 0.960 1.00 0.00 N ATOM 1919 CA LEU A 125 -11.994 7.971 2.253 1.00 0.00 C ATOM 1920 C LEU A 125 -11.019 8.670 3.194 1.00 0.00 C ATOM 1921 O LEU A 125 -9.820 8.744 2.921 1.00 0.00 O ATOM 1922 CB LEU A 125 -12.482 6.665 2.883 1.00 0.00 C ATOM 1923 CG LEU A 125 -11.532 5.472 2.774 1.00 0.00 C ATOM 1924 CD1 LEU A 125 -10.284 5.705 3.612 1.00 0.00 C ATOM 1925 CD2 LEU A 125 -12.233 4.191 3.203 1.00 0.00 C ATOM 0 H LEU A 125 -10.473 7.228 1.015 1.00 0.00 H new ATOM 0 HA LEU A 125 -12.847 8.629 2.090 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -12.685 6.847 3.938 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -13.430 6.393 2.419 1.00 0.00 H new ATOM 0 HG LEU A 125 -11.231 5.366 1.732 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -9.620 4.846 3.522 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -9.770 6.599 3.259 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -10.567 5.837 4.656 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -11.542 3.352 3.119 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -12.564 4.286 4.237 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -13.096 4.016 2.561 1.00 0.00 H new ATOM 1937 N THR A 126 -11.538 9.180 4.307 1.00 0.00 N ATOM 1938 CA THR A 126 -10.714 9.871 5.289 1.00 0.00 C ATOM 1939 C THR A 126 -9.973 8.881 6.179 1.00 0.00 C ATOM 1940 O THR A 126 -10.359 7.717 6.284 1.00 0.00 O ATOM 1941 CB THR A 126 -11.559 10.807 6.174 1.00 0.00 C ATOM 1942 OG1 THR A 126 -12.314 10.039 7.118 1.00 0.00 O ATOM 1943 CG2 THR A 126 -12.502 11.647 5.326 1.00 0.00 C ATOM 0 H THR A 126 -12.527 9.127 4.550 1.00 0.00 H new ATOM 0 HA THR A 126 -9.991 10.466 4.731 1.00 0.00 H new ATOM 0 HB THR A 126 -10.883 11.475 6.708 1.00 0.00 H new ATOM 0 HG1 THR A 126 -12.847 10.641 7.678 1.00 0.00 H new ATOM 0 HG21 THR A 126 -13.088 12.300 5.972 1.00 0.00 H new ATOM 0 HG22 THR A 126 -11.923 12.252 4.628 1.00 0.00 H new ATOM 0 HG23 THR A 126 -13.172 10.992 4.769 1.00 0.00 H new ATOM 1951 N GLN A 127 -8.907 9.350 6.821 1.00 0.00 N ATOM 1952 CA GLN A 127 -8.112 8.504 7.703 1.00 0.00 C ATOM 1953 C GLN A 127 -9.002 7.770 8.701 1.00 0.00 C ATOM 1954 O GLN A 127 -8.835 6.574 8.933 1.00 0.00 O ATOM 1955 CB GLN A 127 -7.072 9.342 8.448 1.00 0.00 C ATOM 1956 CG GLN A 127 -5.826 9.634 7.629 1.00 0.00 C ATOM 1957 CD GLN A 127 -4.764 10.369 8.423 1.00 0.00 C ATOM 1958 OE1 GLN A 127 -4.026 9.765 9.204 1.00 0.00 O ATOM 1959 NE2 GLN A 127 -4.681 11.680 8.230 1.00 0.00 N ATOM 0 H GLN A 127 -8.574 10.311 6.746 1.00 0.00 H new ATOM 0 HA GLN A 127 -7.599 7.764 7.089 1.00 0.00 H new ATOM 0 HB2 GLN A 127 -7.527 10.285 8.751 1.00 0.00 H new ATOM 0 HB3 GLN A 127 -6.783 8.820 9.360 1.00 0.00 H new ATOM 0 HG2 GLN A 127 -5.412 8.697 7.257 1.00 0.00 H new ATOM 0 HG3 GLN A 127 -6.100 10.229 6.758 1.00 0.00 H new ATOM 0 HE21 GLN A 127 -5.312 12.140 7.574 1.00 0.00 H new ATOM 0 HE22 GLN A 127 -3.986 12.227 8.738 1.00 0.00 H new ATOM 1968 N GLU A 128 -9.948 8.497 9.288 1.00 0.00 N ATOM 1969 CA GLU A 128 -10.863 7.916 10.262 1.00 0.00 C ATOM 1970 C GLU A 128 -11.696 6.804 9.631 1.00 0.00 C ATOM 1971 O GLU A 128 -11.817 5.713 10.186 1.00 0.00 O ATOM 1972 CB GLU A 128 -11.783 8.993 10.839 1.00 0.00 C ATOM 1973 CG GLU A 128 -11.039 10.125 11.526 1.00 0.00 C ATOM 1974 CD GLU A 128 -11.966 11.060 12.279 1.00 0.00 C ATOM 1975 OE1 GLU A 128 -12.664 10.589 13.200 1.00 0.00 O ATOM 1976 OE2 GLU A 128 -11.992 12.264 11.945 1.00 0.00 O ATOM 0 H GLU A 128 -10.100 9.489 9.106 1.00 0.00 H new ATOM 0 HA GLU A 128 -10.268 7.488 11.069 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -12.394 9.406 10.036 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -12.465 8.532 11.553 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -10.309 9.707 12.219 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -10.482 10.694 10.781 1.00 0.00 H new ATOM 1983 N GLU A 129 -12.268 7.092 8.465 1.00 0.00 N ATOM 1984 CA GLU A 129 -13.092 6.117 7.758 1.00 0.00 C ATOM 1985 C GLU A 129 -12.342 4.800 7.578 1.00 0.00 C ATOM 1986 O GLU A 129 -12.895 3.723 7.798 1.00 0.00 O ATOM 1987 CB GLU A 129 -13.514 6.667 6.393 1.00 0.00 C ATOM 1988 CG GLU A 129 -14.721 7.587 6.456 1.00 0.00 C ATOM 1989 CD GLU A 129 -16.034 6.827 6.454 1.00 0.00 C ATOM 1990 OE1 GLU A 129 -16.167 5.874 5.659 1.00 0.00 O ATOM 1991 OE2 GLU A 129 -16.927 7.186 7.249 1.00 0.00 O ATOM 0 H GLU A 129 -12.176 7.990 7.991 1.00 0.00 H new ATOM 0 HA GLU A 129 -13.983 5.929 8.357 1.00 0.00 H new ATOM 0 HB2 GLU A 129 -12.676 7.209 5.954 1.00 0.00 H new ATOM 0 HB3 GLU A 129 -13.737 5.833 5.728 1.00 0.00 H new ATOM 0 HG2 GLU A 129 -14.661 8.198 7.356 1.00 0.00 H new ATOM 0 HG3 GLU A 129 -14.699 8.269 5.606 1.00 0.00 H new ATOM 1998 N PHE A 130 -11.079 4.896 7.175 1.00 0.00 N ATOM 1999 CA PHE A 130 -10.252 3.712 6.963 1.00 0.00 C ATOM 2000 C PHE A 130 -10.291 2.797 8.183 1.00 0.00 C ATOM 2001 O PHE A 130 -10.700 1.639 8.092 1.00 0.00 O ATOM 2002 CB PHE A 130 -8.808 4.120 6.663 1.00 0.00 C ATOM 2003 CG PHE A 130 -7.828 2.990 6.792 1.00 0.00 C ATOM 2004 CD1 PHE A 130 -7.814 1.958 5.867 1.00 0.00 C ATOM 2005 CD2 PHE A 130 -6.920 2.960 7.838 1.00 0.00 C ATOM 2006 CE1 PHE A 130 -6.912 0.917 5.984 1.00 0.00 C ATOM 2007 CE2 PHE A 130 -6.016 1.922 7.959 1.00 0.00 C ATOM 2008 CZ PHE A 130 -6.012 0.899 7.031 1.00 0.00 C ATOM 0 H PHE A 130 -10.606 5.780 6.989 1.00 0.00 H new ATOM 0 HA PHE A 130 -10.653 3.167 6.109 1.00 0.00 H new ATOM 0 HB2 PHE A 130 -8.755 4.523 5.652 1.00 0.00 H new ATOM 0 HB3 PHE A 130 -8.517 4.922 7.341 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -8.515 1.967 5.046 1.00 0.00 H new ATOM 0 HD2 PHE A 130 -6.919 3.757 8.567 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -6.911 0.118 5.257 1.00 0.00 H new ATOM 0 HE2 PHE A 130 -5.313 1.911 8.779 1.00 0.00 H new ATOM 0 HZ PHE A 130 -5.306 0.087 7.124 1.00 0.00 H new ATOM 2018 N HIS A 131 -9.861 3.324 9.325 1.00 0.00 N ATOM 2019 CA HIS A 131 -9.846 2.555 10.564 1.00 0.00 C ATOM 2020 C HIS A 131 -11.042 1.609 10.632 1.00 0.00 C ATOM 2021 O HIS A 131 -10.879 0.390 10.698 1.00 0.00 O ATOM 2022 CB HIS A 131 -9.856 3.493 11.772 1.00 0.00 C ATOM 2023 CG HIS A 131 -8.486 3.878 12.242 1.00 0.00 C ATOM 2024 ND1 HIS A 131 -7.534 2.955 12.623 1.00 0.00 N ATOM 2025 CD2 HIS A 131 -7.910 5.093 12.390 1.00 0.00 C ATOM 2026 CE1 HIS A 131 -6.432 3.587 12.986 1.00 0.00 C ATOM 2027 NE2 HIS A 131 -6.634 4.885 12.854 1.00 0.00 N ATOM 0 H HIS A 131 -9.518 4.280 9.418 1.00 0.00 H new ATOM 0 HA HIS A 131 -8.933 1.961 10.581 1.00 0.00 H new ATOM 0 HB2 HIS A 131 -10.411 4.396 11.516 1.00 0.00 H new ATOM 0 HB3 HIS A 131 -10.390 3.012 12.591 1.00 0.00 H new ATOM 0 HD1 HIS A 131 -7.661 1.943 12.624 1.00 0.00 H new ATOM 0 HD2 HIS A 131 -8.368 6.049 12.182 1.00 0.00 H new ATOM 0 HE1 HIS A 131 -5.521 3.121 13.332 1.00 0.00 H new ATOM 2036 N THR A 132 -12.242 2.179 10.615 1.00 0.00 N ATOM 2037 CA THR A 132 -13.464 1.387 10.675 1.00 0.00 C ATOM 2038 C THR A 132 -13.637 0.545 9.416 1.00 0.00 C ATOM 2039 O THR A 132 -14.280 -0.505 9.443 1.00 0.00 O ATOM 2040 CB THR A 132 -14.705 2.282 10.855 1.00 0.00 C ATOM 2041 OG1 THR A 132 -14.849 3.152 9.727 1.00 0.00 O ATOM 2042 CG2 THR A 132 -14.597 3.106 12.129 1.00 0.00 C ATOM 0 H THR A 132 -12.394 3.186 10.560 1.00 0.00 H new ATOM 0 HA THR A 132 -13.371 0.728 11.539 1.00 0.00 H new ATOM 0 HB THR A 132 -15.582 1.639 10.931 1.00 0.00 H new ATOM 0 HG1 THR A 132 -14.002 3.195 9.237 1.00 0.00 H new ATOM 0 HG21 THR A 132 -15.484 3.730 12.235 1.00 0.00 H new ATOM 0 HG22 THR A 132 -14.517 2.439 12.988 1.00 0.00 H new ATOM 0 HG23 THR A 132 -13.712 3.740 12.078 1.00 0.00 H new ATOM 2050 N ALA A 133 -13.060 1.012 8.314 1.00 0.00 N ATOM 2051 CA ALA A 133 -13.148 0.301 7.045 1.00 0.00 C ATOM 2052 C ALA A 133 -12.545 -1.096 7.156 1.00 0.00 C ATOM 2053 O ALA A 133 -11.417 -1.260 7.619 1.00 0.00 O ATOM 2054 CB ALA A 133 -12.454 1.092 5.947 1.00 0.00 C ATOM 0 H ALA A 133 -12.526 1.880 8.275 1.00 0.00 H new ATOM 0 HA ALA A 133 -14.202 0.194 6.789 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -12.528 0.549 5.005 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -12.932 2.066 5.843 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -11.404 1.229 6.205 1.00 0.00 H new ATOM 2060 N ALA A 134 -13.304 -2.099 6.727 1.00 0.00 N ATOM 2061 CA ALA A 134 -12.844 -3.481 6.777 1.00 0.00 C ATOM 2062 C ALA A 134 -11.523 -3.647 6.034 1.00 0.00 C ATOM 2063 O ALA A 134 -11.493 -3.691 4.803 1.00 0.00 O ATOM 2064 CB ALA A 134 -13.899 -4.410 6.197 1.00 0.00 C ATOM 0 H ALA A 134 -14.241 -1.980 6.341 1.00 0.00 H new ATOM 0 HA ALA A 134 -12.679 -3.745 7.821 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -13.542 -5.439 6.241 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -14.819 -4.321 6.774 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -14.093 -4.137 5.160 1.00 0.00 H new ATOM 2070 N VAL A 135 -10.432 -3.737 6.787 1.00 0.00 N ATOM 2071 CA VAL A 135 -9.108 -3.899 6.199 1.00 0.00 C ATOM 2072 C VAL A 135 -8.333 -5.016 6.887 1.00 0.00 C ATOM 2073 O VAL A 135 -8.528 -5.281 8.073 1.00 0.00 O ATOM 2074 CB VAL A 135 -8.292 -2.594 6.285 1.00 0.00 C ATOM 2075 CG1 VAL A 135 -7.179 -2.590 5.249 1.00 0.00 C ATOM 2076 CG2 VAL A 135 -9.199 -1.387 6.110 1.00 0.00 C ATOM 0 H VAL A 135 -10.439 -3.700 7.806 1.00 0.00 H new ATOM 0 HA VAL A 135 -9.257 -4.158 5.151 1.00 0.00 H new ATOM 0 HB VAL A 135 -7.835 -2.536 7.273 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -6.614 -1.661 5.325 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -6.514 -3.435 5.427 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -7.610 -2.671 4.251 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -8.606 -0.474 6.174 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -9.686 -1.436 5.136 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -9.956 -1.384 6.895 1.00 0.00 H new ATOM 2086 N SER A 136 -7.452 -5.670 6.135 1.00 0.00 N ATOM 2087 CA SER A 136 -6.649 -6.762 6.672 1.00 0.00 C ATOM 2088 C SER A 136 -5.707 -6.259 7.762 1.00 0.00 C ATOM 2089 O SER A 136 -5.104 -5.193 7.634 1.00 0.00 O ATOM 2090 CB SER A 136 -5.845 -7.429 5.554 1.00 0.00 C ATOM 2091 OG SER A 136 -4.984 -8.428 6.072 1.00 0.00 O ATOM 0 H SER A 136 -7.277 -5.462 5.152 1.00 0.00 H new ATOM 0 HA SER A 136 -7.325 -7.496 7.111 1.00 0.00 H new ATOM 0 HB2 SER A 136 -6.525 -7.872 4.827 1.00 0.00 H new ATOM 0 HB3 SER A 136 -5.259 -6.678 5.025 1.00 0.00 H new ATOM 0 HG SER A 136 -4.483 -8.840 5.338 1.00 0.00 H new ATOM 2097 N THR A 137 -5.586 -7.035 8.834 1.00 0.00 N ATOM 2098 CA THR A 137 -4.719 -6.669 9.947 1.00 0.00 C ATOM 2099 C THR A 137 -3.455 -5.975 9.454 1.00 0.00 C ATOM 2100 O THR A 137 -3.242 -4.792 9.720 1.00 0.00 O ATOM 2101 CB THR A 137 -4.321 -7.904 10.779 1.00 0.00 C ATOM 2102 OG1 THR A 137 -5.486 -8.491 11.371 1.00 0.00 O ATOM 2103 CG2 THR A 137 -3.328 -7.526 11.867 1.00 0.00 C ATOM 0 H THR A 137 -6.077 -7.921 8.955 1.00 0.00 H new ATOM 0 HA THR A 137 -5.286 -5.983 10.576 1.00 0.00 H new ATOM 0 HB THR A 137 -3.848 -8.627 10.114 1.00 0.00 H new ATOM 0 HG1 THR A 137 -5.226 -9.276 11.897 1.00 0.00 H new ATOM 0 HG21 THR A 137 -3.062 -8.414 12.441 1.00 0.00 H new ATOM 0 HG22 THR A 137 -2.431 -7.106 11.411 1.00 0.00 H new ATOM 0 HG23 THR A 137 -3.778 -6.787 12.530 1.00 0.00 H new ATOM 2111 N ALA A 138 -2.619 -6.716 8.735 1.00 0.00 N ATOM 2112 CA ALA A 138 -1.377 -6.170 8.203 1.00 0.00 C ATOM 2113 C ALA A 138 -1.578 -4.747 7.691 1.00 0.00 C ATOM 2114 O ALA A 138 -0.995 -3.800 8.218 1.00 0.00 O ATOM 2115 CB ALA A 138 -0.841 -7.062 7.093 1.00 0.00 C ATOM 0 H ALA A 138 -2.780 -7.697 8.507 1.00 0.00 H new ATOM 0 HA ALA A 138 -0.647 -6.137 9.012 1.00 0.00 H new ATOM 0 HB1 ALA A 138 0.087 -6.642 6.705 1.00 0.00 H new ATOM 0 HB2 ALA A 138 -0.650 -8.060 7.488 1.00 0.00 H new ATOM 0 HB3 ALA A 138 -1.575 -7.124 6.290 1.00 0.00 H new ATOM 2121 N MET A 139 -2.406 -4.605 6.661 1.00 0.00 N ATOM 2122 CA MET A 139 -2.683 -3.298 6.079 1.00 0.00 C ATOM 2123 C MET A 139 -2.966 -2.267 7.167 1.00 0.00 C ATOM 2124 O MET A 139 -2.409 -1.168 7.157 1.00 0.00 O ATOM 2125 CB MET A 139 -3.872 -3.384 5.121 1.00 0.00 C ATOM 2126 CG MET A 139 -3.709 -4.443 4.042 1.00 0.00 C ATOM 2127 SD MET A 139 -2.107 -4.354 3.220 1.00 0.00 S ATOM 2128 CE MET A 139 -1.951 -2.586 2.972 1.00 0.00 C ATOM 0 H MET A 139 -2.896 -5.379 6.213 1.00 0.00 H new ATOM 0 HA MET A 139 -1.800 -2.981 5.524 1.00 0.00 H new ATOM 0 HB2 MET A 139 -4.775 -3.597 5.694 1.00 0.00 H new ATOM 0 HB3 MET A 139 -4.017 -2.413 4.647 1.00 0.00 H new ATOM 0 HG2 MET A 139 -3.831 -5.431 4.486 1.00 0.00 H new ATOM 0 HG3 MET A 139 -4.500 -4.327 3.301 1.00 0.00 H new ATOM 0 HE1 MET A 139 -1.302 -2.394 2.117 1.00 0.00 H new ATOM 0 HE2 MET A 139 -2.935 -2.157 2.784 1.00 0.00 H new ATOM 0 HE3 MET A 139 -1.520 -2.130 3.864 1.00 0.00 H new ATOM 2138 N LYS A 140 -3.835 -2.627 8.105 1.00 0.00 N ATOM 2139 CA LYS A 140 -4.191 -1.734 9.202 1.00 0.00 C ATOM 2140 C LYS A 140 -2.957 -1.342 10.007 1.00 0.00 C ATOM 2141 O LYS A 140 -2.868 -0.227 10.522 1.00 0.00 O ATOM 2142 CB LYS A 140 -5.220 -2.403 10.118 1.00 0.00 C ATOM 2143 CG LYS A 140 -6.542 -2.700 9.433 1.00 0.00 C ATOM 2144 CD LYS A 140 -7.676 -2.815 10.437 1.00 0.00 C ATOM 2145 CE LYS A 140 -8.478 -1.526 10.524 1.00 0.00 C ATOM 2146 NZ LYS A 140 -9.633 -1.526 9.585 1.00 0.00 N ATOM 0 H LYS A 140 -4.306 -3.531 8.128 1.00 0.00 H new ATOM 0 HA LYS A 140 -4.626 -0.830 8.775 1.00 0.00 H new ATOM 0 HB2 LYS A 140 -4.802 -3.334 10.501 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -5.403 -1.758 10.977 1.00 0.00 H new ATOM 0 HG2 LYS A 140 -6.767 -1.910 8.717 1.00 0.00 H new ATOM 0 HG3 LYS A 140 -6.460 -3.628 8.868 1.00 0.00 H new ATOM 0 HD2 LYS A 140 -8.334 -3.635 10.151 1.00 0.00 H new ATOM 0 HD3 LYS A 140 -7.270 -3.059 11.419 1.00 0.00 H new ATOM 0 HE2 LYS A 140 -8.839 -1.391 11.544 1.00 0.00 H new ATOM 0 HE3 LYS A 140 -7.829 -0.679 10.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 -10.438 -1.036 10.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 -9.367 -1.036 8.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 -9.903 -2.506 9.366 1.00 0.00 H new ATOM 2160 N LYS A 141 -2.006 -2.263 10.112 1.00 0.00 N ATOM 2161 CA LYS A 141 -0.774 -2.014 10.851 1.00 0.00 C ATOM 2162 C LYS A 141 0.108 -1.010 10.114 1.00 0.00 C ATOM 2163 O LYS A 141 0.774 -0.182 10.735 1.00 0.00 O ATOM 2164 CB LYS A 141 -0.010 -3.321 11.066 1.00 0.00 C ATOM 2165 CG LYS A 141 -0.687 -4.268 12.041 1.00 0.00 C ATOM 2166 CD LYS A 141 0.196 -5.462 12.364 1.00 0.00 C ATOM 2167 CE LYS A 141 0.128 -6.517 11.270 1.00 0.00 C ATOM 2168 NZ LYS A 141 0.634 -7.837 11.741 1.00 0.00 N ATOM 0 H LYS A 141 -2.065 -3.191 9.693 1.00 0.00 H new ATOM 0 HA LYS A 141 -1.040 -1.594 11.821 1.00 0.00 H new ATOM 0 HB2 LYS A 141 0.109 -3.825 10.107 1.00 0.00 H new ATOM 0 HB3 LYS A 141 0.991 -3.091 11.431 1.00 0.00 H new ATOM 0 HG2 LYS A 141 -0.928 -3.734 12.960 1.00 0.00 H new ATOM 0 HG3 LYS A 141 -1.629 -4.615 11.617 1.00 0.00 H new ATOM 0 HD2 LYS A 141 1.227 -5.131 12.488 1.00 0.00 H new ATOM 0 HD3 LYS A 141 -0.114 -5.900 13.313 1.00 0.00 H new ATOM 0 HE2 LYS A 141 -0.902 -6.623 10.931 1.00 0.00 H new ATOM 0 HE3 LYS A 141 0.714 -6.189 10.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 0.043 -8.596 11.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 1.617 -7.965 11.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 0.596 -7.873 12.780 1.00 0.00 H new ATOM 2182 N VAL A 142 0.109 -1.091 8.788 1.00 0.00 N ATOM 2183 CA VAL A 142 0.907 -0.189 7.967 1.00 0.00 C ATOM 2184 C VAL A 142 0.521 1.264 8.212 1.00 0.00 C ATOM 2185 O VAL A 142 1.340 2.170 8.059 1.00 0.00 O ATOM 2186 CB VAL A 142 0.748 -0.506 6.468 1.00 0.00 C ATOM 2187 CG1 VAL A 142 1.352 0.604 5.621 1.00 0.00 C ATOM 2188 CG2 VAL A 142 1.384 -1.847 6.136 1.00 0.00 C ATOM 0 H VAL A 142 -0.435 -1.773 8.259 1.00 0.00 H new ATOM 0 HA VAL A 142 1.948 -0.338 8.254 1.00 0.00 H new ATOM 0 HB VAL A 142 -0.316 -0.568 6.239 1.00 0.00 H new ATOM 0 HG11 VAL A 142 1.230 0.363 4.565 1.00 0.00 H new ATOM 0 HG12 VAL A 142 0.846 1.544 5.839 1.00 0.00 H new ATOM 0 HG13 VAL A 142 2.413 0.701 5.851 1.00 0.00 H new ATOM 0 HG21 VAL A 142 1.262 -2.054 5.073 1.00 0.00 H new ATOM 0 HG22 VAL A 142 2.446 -1.816 6.380 1.00 0.00 H new ATOM 0 HG23 VAL A 142 0.901 -2.633 6.717 1.00 0.00 H new ATOM 2198 N PHE A 143 -0.733 1.481 8.595 1.00 0.00 N ATOM 2199 CA PHE A 143 -1.230 2.826 8.862 1.00 0.00 C ATOM 2200 C PHE A 143 -0.561 3.417 10.100 1.00 0.00 C ATOM 2201 O PHE A 143 0.213 4.370 10.005 1.00 0.00 O ATOM 2202 CB PHE A 143 -2.748 2.805 9.051 1.00 0.00 C ATOM 2203 CG PHE A 143 -3.346 4.167 9.249 1.00 0.00 C ATOM 2204 CD1 PHE A 143 -3.303 5.113 8.237 1.00 0.00 C ATOM 2205 CD2 PHE A 143 -3.954 4.504 10.448 1.00 0.00 C ATOM 2206 CE1 PHE A 143 -3.853 6.368 8.417 1.00 0.00 C ATOM 2207 CE2 PHE A 143 -4.506 5.757 10.633 1.00 0.00 C ATOM 2208 CZ PHE A 143 -4.455 6.690 9.616 1.00 0.00 C ATOM 0 H PHE A 143 -1.424 0.742 8.727 1.00 0.00 H new ATOM 0 HA PHE A 143 -0.987 3.452 8.004 1.00 0.00 H new ATOM 0 HB2 PHE A 143 -3.208 2.338 8.180 1.00 0.00 H new ATOM 0 HB3 PHE A 143 -2.990 2.182 9.912 1.00 0.00 H new ATOM 0 HD1 PHE A 143 -2.834 4.866 7.296 1.00 0.00 H new ATOM 0 HD2 PHE A 143 -3.997 3.779 11.247 1.00 0.00 H new ATOM 0 HE1 PHE A 143 -3.812 7.096 7.620 1.00 0.00 H new ATOM 0 HE2 PHE A 143 -4.977 6.007 11.572 1.00 0.00 H new ATOM 0 HZ PHE A 143 -4.886 7.670 9.759 1.00 0.00 H new ATOM 2218 N ARG A 144 -0.866 2.845 11.260 1.00 0.00 N ATOM 2219 CA ARG A 144 -0.297 3.315 12.517 1.00 0.00 C ATOM 2220 C ARG A 144 1.218 3.465 12.406 1.00 0.00 C ATOM 2221 O ARG A 144 1.818 4.316 13.061 1.00 0.00 O ATOM 2222 CB ARG A 144 -0.643 2.349 13.652 1.00 0.00 C ATOM 2223 CG ARG A 144 0.089 1.020 13.564 1.00 0.00 C ATOM 2224 CD ARG A 144 -0.363 0.061 14.655 1.00 0.00 C ATOM 2225 NE ARG A 144 0.302 0.328 15.928 1.00 0.00 N ATOM 2226 CZ ARG A 144 0.038 -0.335 17.047 1.00 0.00 C ATOM 2227 NH1 ARG A 144 -0.872 -1.300 17.053 1.00 0.00 N ATOM 2228 NH2 ARG A 144 0.685 -0.034 18.167 1.00 0.00 N ATOM 0 H ARG A 144 -1.504 2.055 11.355 1.00 0.00 H new ATOM 0 HA ARG A 144 -0.726 4.292 12.738 1.00 0.00 H new ATOM 0 HB2 ARG A 144 -0.407 2.822 14.605 1.00 0.00 H new ATOM 0 HB3 ARG A 144 -1.717 2.164 13.646 1.00 0.00 H new ATOM 0 HG2 ARG A 144 -0.087 0.570 12.587 1.00 0.00 H new ATOM 0 HG3 ARG A 144 1.163 1.189 13.648 1.00 0.00 H new ATOM 0 HD2 ARG A 144 -1.442 0.143 14.785 1.00 0.00 H new ATOM 0 HD3 ARG A 144 -0.156 -0.964 14.346 1.00 0.00 H new ATOM 0 HE ARG A 144 1.008 1.064 15.959 1.00 0.00 H new ATOM 0 HH11 ARG A 144 -1.372 -1.535 16.195 1.00 0.00 H new ATOM 0 HH12 ARG A 144 -1.072 -1.807 17.915 1.00 0.00 H new ATOM 0 HH21 ARG A 144 1.386 0.707 18.168 1.00 0.00 H new ATOM 0 HH22 ARG A 144 0.481 -0.544 19.026 1.00 0.00 H new ATOM 2242 N VAL A 145 1.830 2.630 11.572 1.00 0.00 N ATOM 2243 CA VAL A 145 3.274 2.669 11.375 1.00 0.00 C ATOM 2244 C VAL A 145 3.686 3.900 10.575 1.00 0.00 C ATOM 2245 O VAL A 145 4.791 4.418 10.737 1.00 0.00 O ATOM 2246 CB VAL A 145 3.775 1.407 10.647 1.00 0.00 C ATOM 2247 CG1 VAL A 145 5.190 1.617 10.128 1.00 0.00 C ATOM 2248 CG2 VAL A 145 3.710 0.200 11.571 1.00 0.00 C ATOM 0 H VAL A 145 1.348 1.919 11.022 1.00 0.00 H new ATOM 0 HA VAL A 145 3.728 2.713 12.365 1.00 0.00 H new ATOM 0 HB VAL A 145 3.125 1.218 9.793 1.00 0.00 H new ATOM 0 HG11 VAL A 145 5.528 0.715 9.617 1.00 0.00 H new ATOM 0 HG12 VAL A 145 5.201 2.455 9.431 1.00 0.00 H new ATOM 0 HG13 VAL A 145 5.856 1.831 10.964 1.00 0.00 H new ATOM 0 HG21 VAL A 145 4.067 -0.683 11.042 1.00 0.00 H new ATOM 0 HG22 VAL A 145 4.336 0.377 12.445 1.00 0.00 H new ATOM 0 HG23 VAL A 145 2.680 0.040 11.889 1.00 0.00 H new ATOM 2258 N TYR A 146 2.790 4.366 9.712 1.00 0.00 N ATOM 2259 CA TYR A 146 3.060 5.536 8.886 1.00 0.00 C ATOM 2260 C TYR A 146 2.790 6.824 9.659 1.00 0.00 C ATOM 2261 O TYR A 146 3.512 7.809 9.513 1.00 0.00 O ATOM 2262 CB TYR A 146 2.204 5.500 7.619 1.00 0.00 C ATOM 2263 CG TYR A 146 1.853 6.871 7.086 1.00 0.00 C ATOM 2264 CD1 TYR A 146 2.762 7.596 6.326 1.00 0.00 C ATOM 2265 CD2 TYR A 146 0.613 7.441 7.343 1.00 0.00 C ATOM 2266 CE1 TYR A 146 2.446 8.850 5.838 1.00 0.00 C ATOM 2267 CE2 TYR A 146 0.288 8.693 6.858 1.00 0.00 C ATOM 2268 CZ TYR A 146 1.208 9.393 6.106 1.00 0.00 C ATOM 2269 OH TYR A 146 0.888 10.642 5.622 1.00 0.00 O ATOM 0 H TYR A 146 1.870 3.951 9.567 1.00 0.00 H new ATOM 0 HA TYR A 146 4.113 5.516 8.606 1.00 0.00 H new ATOM 0 HB2 TYR A 146 2.736 4.945 6.847 1.00 0.00 H new ATOM 0 HB3 TYR A 146 1.284 4.954 7.828 1.00 0.00 H new ATOM 0 HD1 TYR A 146 3.732 7.173 6.113 1.00 0.00 H new ATOM 0 HD2 TYR A 146 -0.110 6.896 7.932 1.00 0.00 H new ATOM 0 HE1 TYR A 146 3.165 9.401 5.250 1.00 0.00 H new ATOM 0 HE2 TYR A 146 -0.681 9.121 7.067 1.00 0.00 H new ATOM 0 HH TYR A 146 -0.022 10.877 5.900 1.00 0.00 H new ATOM 2279 N GLN A 147 1.747 6.804 10.481 1.00 0.00 N ATOM 2280 CA GLN A 147 1.380 7.969 11.277 1.00 0.00 C ATOM 2281 C GLN A 147 2.597 8.541 11.998 1.00 0.00 C ATOM 2282 O GLN A 147 2.767 9.755 12.084 1.00 0.00 O ATOM 2283 CB GLN A 147 0.298 7.600 12.293 1.00 0.00 C ATOM 2284 CG GLN A 147 -1.094 7.503 11.690 1.00 0.00 C ATOM 2285 CD GLN A 147 -2.174 7.336 12.741 1.00 0.00 C ATOM 2286 OE1 GLN A 147 -2.226 6.323 13.439 1.00 0.00 O ATOM 2287 NE2 GLN A 147 -3.045 8.331 12.858 1.00 0.00 N ATOM 0 H GLN A 147 1.141 5.994 10.614 1.00 0.00 H new ATOM 0 HA GLN A 147 0.989 8.730 10.601 1.00 0.00 H new ATOM 0 HB2 GLN A 147 0.553 6.645 12.753 1.00 0.00 H new ATOM 0 HB3 GLN A 147 0.289 8.345 13.089 1.00 0.00 H new ATOM 0 HG2 GLN A 147 -1.296 8.401 11.106 1.00 0.00 H new ATOM 0 HG3 GLN A 147 -1.129 6.659 11.001 1.00 0.00 H new ATOM 0 HE21 GLN A 147 -2.964 9.152 12.259 1.00 0.00 H new ATOM 0 HE22 GLN A 147 -3.795 8.274 13.547 1.00 0.00 H new