USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 720 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 66 ASN : amide:sc=-0.00204 X(o=0.21,f=-0.25) USER MOD Set 1.2: A 67 CYS SG : rot -43:sc= 0.713 USER MOD Set 1.3: A 70 CYS SG : rot -19:sc= 1.44 USER MOD Set 1.4: A 71 SER OG : rot 59:sc= -0.219 USER MOD Set 1.5: A 84 HIS : no HE2:sc= -1.76 X(o=0.21,f=0.58) USER MOD Set 1.6: A 101 CYS SG : rot 80:sc= 0.039 USER MOD Set 2.1: A 68 SER OG : rot 180:sc= 0.0259 USER MOD Set 2.2: A 78 ASN : amide:sc= -1.08 K(o=-1.1,f=-0.15) USER MOD Set 3.1: A 63 GLN : amide:sc= -0.0998 K(o=1,f=-0.91) USER MOD Set 3.2: A 98 TYR OH : rot 89:sc= 1.13 USER MOD Single : A 18 GLN : amide:sc= -2.07! K(o=-2.1!,f=-0.87) USER MOD Single : A 19 LYS NZ :NH3+ 169:sc= -0.0266 (180deg=-0.178) USER MOD Single : A 23 GLN : amide:sc= -1.08 K(o=-1.1,f=-0.17) USER MOD Single : A 24 MET CE :methyl -128:sc= -1.2 (180deg=-5.65!) USER MOD Single : A 25 LYS NZ :NH3+ 158:sc= 1.09 (180deg=-0.426) USER MOD Single : A 27 LYS NZ :NH3+ 164:sc= -0.0558 (180deg=-0.356) USER MOD Single : A 29 MET CE :methyl 135:sc= -0.499 (180deg=-2.45!) USER MOD Single : A 30 LYS NZ :NH3+ 145:sc= 1.1 (180deg=-0.0359!) USER MOD Single : A 32 GLN : amide:sc= -0.0392 X(o=-0.039,f=-0.051) USER MOD Single : A 35 GLN : amide:sc= 0.612 K(o=0.61,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -175:sc= 0.0974 (180deg=0.0813) USER MOD Single : A 41 ASN : amide:sc= -0.356 X(o=-0.36,f=-0.22) USER MOD Single : A 47 GLN : amide:sc= -0.0145 K(o=-0.015,f=-1.2!) USER MOD Single : A 48 LYS NZ :NH3+ -172:sc=-0.00778 (180deg=-0.0782) USER MOD Single : A 49 MET CE :methyl 143:sc= -0.05 (180deg=-2.46) USER MOD Single : A 52 LYS NZ :NH3+ -169:sc= 1.04 (180deg=0.82) USER MOD Single : A 53 SER OG : rot -87:sc= 0.238 USER MOD Single : A 55 ASN : amide:sc= -0.673 X(o=-0.67,f=-0.69) USER MOD Single : A 56 LYS NZ :NH3+ -177:sc= 0.869 (180deg=0.864) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot -110:sc= -0.43 USER MOD Single : A 64 SER OG : rot 80:sc= -0.511 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0.59 (180deg=0.59) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.195 K(o=-0.2,f=-2.9!) USER MOD Single : A 76 CYS SG : rot 180:sc= 0.0468 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.0567 K(o=-0.057,f=-1.3!) USER MOD Single : A 93 SER OG : rot 27:sc= 1.33 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 150:sc= 1.33 (180deg=1.17) USER MOD ----------------------------------------------------------------- ATOM 225 N ASP A 16 -18.829 3.307 4.825 1.00 0.00 N ATOM 226 CA ASP A 16 -19.863 4.024 4.087 1.00 0.00 C ATOM 227 C ASP A 16 -19.360 5.380 3.627 1.00 0.00 C ATOM 228 O ASP A 16 -19.792 5.887 2.593 1.00 0.00 O ATOM 229 CB ASP A 16 -21.126 4.191 4.931 1.00 0.00 C ATOM 230 CG ASP A 16 -22.122 3.070 4.718 1.00 0.00 C ATOM 231 OD1 ASP A 16 -21.894 1.958 5.236 1.00 0.00 O ATOM 232 OD2 ASP A 16 -23.144 3.301 4.035 1.00 0.00 O ATOM 0 HA ASP A 16 -20.112 3.429 3.208 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -20.851 4.232 5.985 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -21.598 5.143 4.687 1.00 0.00 H new ATOM 237 N PHE A 17 -18.430 5.954 4.383 1.00 0.00 N ATOM 238 CA PHE A 17 -17.847 7.239 4.025 1.00 0.00 C ATOM 239 C PHE A 17 -17.184 7.149 2.656 1.00 0.00 C ATOM 240 O PHE A 17 -17.442 7.969 1.775 1.00 0.00 O ATOM 241 CB PHE A 17 -16.824 7.676 5.078 1.00 0.00 C ATOM 242 CG PHE A 17 -16.204 9.020 4.812 1.00 0.00 C ATOM 243 CD1 PHE A 17 -16.839 10.181 5.221 1.00 0.00 C ATOM 244 CD2 PHE A 17 -14.982 9.121 4.161 1.00 0.00 C ATOM 245 CE1 PHE A 17 -16.272 11.418 4.984 1.00 0.00 C ATOM 246 CE2 PHE A 17 -14.409 10.356 3.920 1.00 0.00 C ATOM 247 CZ PHE A 17 -15.057 11.505 4.333 1.00 0.00 C ATOM 0 H PHE A 17 -18.065 5.550 5.245 1.00 0.00 H new ATOM 0 HA PHE A 17 -18.643 7.983 3.985 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -17.310 7.699 6.053 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -16.033 6.928 5.133 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -17.789 10.118 5.731 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -14.473 8.224 3.839 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -16.778 12.316 5.307 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -13.459 10.423 3.411 1.00 0.00 H new ATOM 0 HZ PHE A 17 -14.613 12.472 4.146 1.00 0.00 H new ATOM 257 N GLN A 18 -16.348 6.131 2.475 1.00 0.00 N ATOM 258 CA GLN A 18 -15.639 5.949 1.217 1.00 0.00 C ATOM 259 C GLN A 18 -16.609 5.508 0.126 1.00 0.00 C ATOM 260 O GLN A 18 -16.403 5.801 -1.045 1.00 0.00 O ATOM 261 CB GLN A 18 -14.477 4.946 1.378 1.00 0.00 C ATOM 262 CG GLN A 18 -14.889 3.472 1.388 1.00 0.00 C ATOM 263 CD GLN A 18 -15.003 2.846 -0.001 1.00 0.00 C ATOM 264 OE1 GLN A 18 -15.835 1.968 -0.226 1.00 0.00 O ATOM 265 NE2 GLN A 18 -14.155 3.263 -0.933 1.00 0.00 N ATOM 0 H GLN A 18 -16.147 5.423 3.181 1.00 0.00 H new ATOM 0 HA GLN A 18 -15.205 6.904 0.920 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -13.767 5.103 0.566 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -13.953 5.167 2.308 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -14.162 2.907 1.971 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -15.848 3.378 1.897 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -13.477 3.993 -0.715 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -14.182 2.854 -1.867 1.00 0.00 H new ATOM 274 N LYS A 19 -17.669 4.808 0.519 1.00 0.00 N ATOM 275 CA LYS A 19 -18.655 4.327 -0.440 1.00 0.00 C ATOM 276 C LYS A 19 -19.355 5.481 -1.143 1.00 0.00 C ATOM 277 O LYS A 19 -19.449 5.492 -2.365 1.00 0.00 O ATOM 278 CB LYS A 19 -19.684 3.420 0.234 1.00 0.00 C ATOM 279 CG LYS A 19 -19.155 2.031 0.544 1.00 0.00 C ATOM 280 CD LYS A 19 -20.274 1.078 0.945 1.00 0.00 C ATOM 281 CE LYS A 19 -21.305 0.920 -0.168 1.00 0.00 C ATOM 282 NZ LYS A 19 -20.694 0.430 -1.436 1.00 0.00 N ATOM 0 H LYS A 19 -17.866 4.563 1.489 1.00 0.00 H new ATOM 0 HA LYS A 19 -18.118 3.745 -1.189 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -20.018 3.888 1.160 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -20.558 3.332 -0.412 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -18.636 1.636 -0.329 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -18.423 2.092 1.349 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -19.852 0.104 1.191 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -20.764 1.450 1.845 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -22.080 0.224 0.153 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -21.792 1.878 -0.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -21.446 0.161 -2.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -20.113 1.184 -1.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -20.096 -0.397 -1.236 1.00 0.00 H new ATOM 296 N ARG A 20 -19.835 6.454 -0.378 1.00 0.00 N ATOM 297 CA ARG A 20 -20.494 7.624 -0.961 1.00 0.00 C ATOM 298 C ARG A 20 -19.472 8.465 -1.693 1.00 0.00 C ATOM 299 O ARG A 20 -19.728 8.987 -2.777 1.00 0.00 O ATOM 300 CB ARG A 20 -21.158 8.478 0.115 1.00 0.00 C ATOM 301 CG ARG A 20 -21.805 7.660 1.204 1.00 0.00 C ATOM 302 CD ARG A 20 -22.637 8.521 2.142 1.00 0.00 C ATOM 303 NE ARG A 20 -21.811 9.442 2.922 1.00 0.00 N ATOM 304 CZ ARG A 20 -21.898 10.771 2.852 1.00 0.00 C ATOM 305 NH1 ARG A 20 -22.756 11.347 2.021 1.00 0.00 N ATOM 306 NH2 ARG A 20 -21.116 11.518 3.617 1.00 0.00 N ATOM 0 H ARG A 20 -19.783 6.460 0.641 1.00 0.00 H new ATOM 0 HA ARG A 20 -21.262 7.272 -1.650 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -20.412 9.137 0.559 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -21.911 9.115 -0.349 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -22.439 6.895 0.755 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -21.035 7.141 1.775 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -23.364 9.089 1.562 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -23.201 7.879 2.819 1.00 0.00 H new ATOM 0 HE ARG A 20 -21.124 9.042 3.561 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -23.356 10.773 1.429 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -22.816 12.364 1.974 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -20.453 11.076 4.254 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -21.177 12.535 3.569 1.00 0.00 H new ATOM 320 N LEU A 21 -18.310 8.582 -1.070 1.00 0.00 N ATOM 321 CA LEU A 21 -17.185 9.311 -1.653 1.00 0.00 C ATOM 322 C LEU A 21 -16.846 8.782 -3.050 1.00 0.00 C ATOM 323 O LEU A 21 -16.722 9.554 -4.004 1.00 0.00 O ATOM 324 CB LEU A 21 -15.959 9.194 -0.740 1.00 0.00 C ATOM 325 CG LEU A 21 -14.642 9.672 -1.349 1.00 0.00 C ATOM 326 CD1 LEU A 21 -14.684 11.170 -1.626 1.00 0.00 C ATOM 327 CD2 LEU A 21 -13.479 9.329 -0.432 1.00 0.00 C ATOM 0 H LEU A 21 -18.117 8.179 -0.153 1.00 0.00 H new ATOM 0 HA LEU A 21 -17.471 10.359 -1.747 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -16.148 9.765 0.169 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -15.846 8.151 -0.444 1.00 0.00 H new ATOM 0 HG LEU A 21 -14.498 9.157 -2.299 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.735 11.487 -2.059 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -15.492 11.388 -2.324 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -14.854 11.708 -0.693 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -12.548 9.676 -0.880 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -13.621 9.815 0.533 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -13.433 8.249 -0.291 1.00 0.00 H new ATOM 339 N GLU A 22 -16.716 7.471 -3.170 1.00 0.00 N ATOM 340 CA GLU A 22 -16.448 6.837 -4.451 1.00 0.00 C ATOM 341 C GLU A 22 -17.691 6.798 -5.329 1.00 0.00 C ATOM 342 O GLU A 22 -17.585 6.795 -6.551 1.00 0.00 O ATOM 343 CB GLU A 22 -15.906 5.426 -4.244 1.00 0.00 C ATOM 344 CG GLU A 22 -14.515 5.407 -3.641 1.00 0.00 C ATOM 345 CD GLU A 22 -13.500 6.115 -4.516 1.00 0.00 C ATOM 346 OE1 GLU A 22 -12.956 5.478 -5.438 1.00 0.00 O ATOM 347 OE2 GLU A 22 -13.245 7.316 -4.293 1.00 0.00 O ATOM 0 H GLU A 22 -16.793 6.820 -2.389 1.00 0.00 H new ATOM 0 HA GLU A 22 -15.696 7.437 -4.964 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -16.585 4.874 -3.594 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -15.888 4.906 -5.202 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.540 5.882 -2.660 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -14.202 4.374 -3.488 1.00 0.00 H new ATOM 354 N GLN A 23 -18.863 6.762 -4.711 1.00 0.00 N ATOM 355 CA GLN A 23 -20.113 6.782 -5.456 1.00 0.00 C ATOM 356 C GLN A 23 -20.221 8.077 -6.242 1.00 0.00 C ATOM 357 O GLN A 23 -20.439 8.067 -7.455 1.00 0.00 O ATOM 358 CB GLN A 23 -21.306 6.651 -4.512 1.00 0.00 C ATOM 359 CG GLN A 23 -22.618 6.377 -5.225 1.00 0.00 C ATOM 360 CD GLN A 23 -22.613 5.054 -5.974 1.00 0.00 C ATOM 361 OE1 GLN A 23 -23.257 4.918 -7.015 1.00 0.00 O ATOM 362 NE2 GLN A 23 -21.913 4.061 -5.439 1.00 0.00 N ATOM 0 H GLN A 23 -18.974 6.719 -3.698 1.00 0.00 H new ATOM 0 HA GLN A 23 -20.120 5.936 -6.144 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -21.112 5.845 -3.804 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -21.402 7.569 -3.932 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -23.429 6.375 -4.497 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -22.822 7.186 -5.926 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -21.392 4.212 -4.575 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -21.896 3.147 -5.892 1.00 0.00 H new ATOM 371 N MET A 24 -20.053 9.195 -5.548 1.00 0.00 N ATOM 372 CA MET A 24 -20.076 10.495 -6.199 1.00 0.00 C ATOM 373 C MET A 24 -18.883 10.641 -7.137 1.00 0.00 C ATOM 374 O MET A 24 -19.001 11.226 -8.207 1.00 0.00 O ATOM 375 CB MET A 24 -20.111 11.636 -5.174 1.00 0.00 C ATOM 376 CG MET A 24 -18.938 11.664 -4.206 1.00 0.00 C ATOM 377 SD MET A 24 -19.075 12.979 -2.976 1.00 0.00 S ATOM 378 CE MET A 24 -19.081 14.430 -4.024 1.00 0.00 C ATOM 0 H MET A 24 -19.900 9.227 -4.540 1.00 0.00 H new ATOM 0 HA MET A 24 -20.990 10.559 -6.789 1.00 0.00 H new ATOM 0 HB2 MET A 24 -20.144 12.585 -5.709 1.00 0.00 H new ATOM 0 HB3 MET A 24 -21.035 11.561 -4.600 1.00 0.00 H new ATOM 0 HG2 MET A 24 -18.870 10.703 -3.697 1.00 0.00 H new ATOM 0 HG3 MET A 24 -18.013 11.793 -4.768 1.00 0.00 H new ATOM 0 HE1 MET A 24 -18.323 15.133 -3.677 1.00 0.00 H new ATOM 0 HE2 MET A 24 -18.862 14.138 -5.051 1.00 0.00 H new ATOM 0 HE3 MET A 24 -20.062 14.904 -3.983 1.00 0.00 H new ATOM 388 N LYS A 25 -17.743 10.090 -6.734 1.00 0.00 N ATOM 389 CA LYS A 25 -16.546 10.065 -7.577 1.00 0.00 C ATOM 390 C LYS A 25 -16.855 9.413 -8.927 1.00 0.00 C ATOM 391 O LYS A 25 -16.540 9.964 -9.984 1.00 0.00 O ATOM 392 CB LYS A 25 -15.432 9.279 -6.876 1.00 0.00 C ATOM 393 CG LYS A 25 -14.080 9.371 -7.563 1.00 0.00 C ATOM 394 CD LYS A 25 -13.319 10.620 -7.147 1.00 0.00 C ATOM 395 CE LYS A 25 -12.837 10.528 -5.703 1.00 0.00 C ATOM 396 NZ LYS A 25 -11.972 9.337 -5.480 1.00 0.00 N ATOM 0 H LYS A 25 -17.619 9.651 -5.822 1.00 0.00 H new ATOM 0 HA LYS A 25 -16.220 11.091 -7.745 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -15.333 9.643 -5.853 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -15.725 8.231 -6.814 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.489 8.488 -7.321 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -14.221 9.374 -8.644 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.464 10.763 -7.808 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.961 11.493 -7.262 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.283 11.431 -5.447 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.697 10.482 -5.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.377 9.492 -4.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.568 8.498 -5.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.366 9.188 -6.312 1.00 0.00 H new ATOM 410 N GLU A 26 -17.476 8.239 -8.863 1.00 0.00 N ATOM 411 CA GLU A 26 -17.886 7.488 -10.046 1.00 0.00 C ATOM 412 C GLU A 26 -18.823 8.323 -10.910 1.00 0.00 C ATOM 413 O GLU A 26 -18.650 8.423 -12.124 1.00 0.00 O ATOM 414 CB GLU A 26 -18.592 6.200 -9.605 1.00 0.00 C ATOM 415 CG GLU A 26 -19.026 5.301 -10.749 1.00 0.00 C ATOM 416 CD GLU A 26 -17.866 4.574 -11.392 1.00 0.00 C ATOM 417 OE1 GLU A 26 -17.471 3.502 -10.879 1.00 0.00 O ATOM 418 OE2 GLU A 26 -17.364 5.048 -12.426 1.00 0.00 O ATOM 0 H GLU A 26 -17.711 7.779 -7.983 1.00 0.00 H new ATOM 0 HA GLU A 26 -17.003 7.241 -10.636 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -17.924 5.639 -8.951 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -19.469 6.464 -9.014 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -19.747 4.572 -10.379 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -19.537 5.900 -11.503 1.00 0.00 H new ATOM 425 N LYS A 27 -19.804 8.933 -10.261 1.00 0.00 N ATOM 426 CA LYS A 27 -20.788 9.764 -10.943 1.00 0.00 C ATOM 427 C LYS A 27 -20.137 10.931 -11.667 1.00 0.00 C ATOM 428 O LYS A 27 -20.498 11.248 -12.798 1.00 0.00 O ATOM 429 CB LYS A 27 -21.814 10.296 -9.945 1.00 0.00 C ATOM 430 CG LYS A 27 -22.706 9.215 -9.356 1.00 0.00 C ATOM 431 CD LYS A 27 -23.956 9.808 -8.734 1.00 0.00 C ATOM 432 CE LYS A 27 -24.843 10.443 -9.790 1.00 0.00 C ATOM 433 NZ LYS A 27 -25.327 9.444 -10.780 1.00 0.00 N ATOM 0 H LYS A 27 -19.941 8.867 -9.252 1.00 0.00 H new ATOM 0 HA LYS A 27 -21.284 9.137 -11.684 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -21.291 10.805 -9.135 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -22.438 11.041 -10.440 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -22.986 8.507 -10.136 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -22.153 8.655 -8.602 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -24.510 9.029 -8.210 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -23.677 10.556 -7.991 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -25.697 10.920 -9.308 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -24.289 11.227 -10.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -26.127 9.842 -11.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -24.558 9.207 -11.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -25.635 8.584 -10.283 1.00 0.00 H new ATOM 447 N VAL A 28 -19.179 11.565 -11.013 1.00 0.00 N ATOM 448 CA VAL A 28 -18.527 12.738 -11.571 1.00 0.00 C ATOM 449 C VAL A 28 -17.686 12.370 -12.795 1.00 0.00 C ATOM 450 O VAL A 28 -17.640 13.114 -13.774 1.00 0.00 O ATOM 451 CB VAL A 28 -17.663 13.454 -10.510 1.00 0.00 C ATOM 452 CG1 VAL A 28 -16.939 14.640 -11.112 1.00 0.00 C ATOM 453 CG2 VAL A 28 -18.526 13.912 -9.345 1.00 0.00 C ATOM 0 H VAL A 28 -18.835 11.287 -10.094 1.00 0.00 H new ATOM 0 HA VAL A 28 -19.308 13.428 -11.891 1.00 0.00 H new ATOM 0 HB VAL A 28 -16.921 12.744 -10.146 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -16.338 15.127 -10.344 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -16.291 14.299 -11.919 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -17.667 15.349 -11.506 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -17.902 14.415 -8.606 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -19.288 14.602 -9.706 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -19.007 13.048 -8.887 1.00 0.00 H new ATOM 463 N MET A 29 -17.053 11.201 -12.764 1.00 0.00 N ATOM 464 CA MET A 29 -16.250 10.756 -13.906 1.00 0.00 C ATOM 465 C MET A 29 -17.143 10.115 -14.967 1.00 0.00 C ATOM 466 O MET A 29 -16.675 9.697 -16.026 1.00 0.00 O ATOM 467 CB MET A 29 -15.146 9.781 -13.467 1.00 0.00 C ATOM 468 CG MET A 29 -15.658 8.464 -12.908 1.00 0.00 C ATOM 469 SD MET A 29 -14.324 7.360 -12.403 1.00 0.00 S ATOM 470 CE MET A 29 -13.539 8.349 -11.134 1.00 0.00 C ATOM 0 H MET A 29 -17.077 10.552 -11.977 1.00 0.00 H new ATOM 0 HA MET A 29 -15.766 11.632 -14.339 1.00 0.00 H new ATOM 0 HB2 MET A 29 -14.501 9.573 -14.321 1.00 0.00 H new ATOM 0 HB3 MET A 29 -14.528 10.267 -12.712 1.00 0.00 H new ATOM 0 HG2 MET A 29 -16.304 8.663 -12.053 1.00 0.00 H new ATOM 0 HG3 MET A 29 -16.270 7.967 -13.661 1.00 0.00 H new ATOM 0 HE1 MET A 29 -13.328 7.725 -10.265 1.00 0.00 H new ATOM 0 HE2 MET A 29 -12.607 8.762 -11.519 1.00 0.00 H new ATOM 0 HE3 MET A 29 -14.204 9.162 -10.843 1.00 0.00 H new ATOM 480 N LYS A 30 -18.437 10.056 -14.675 1.00 0.00 N ATOM 481 CA LYS A 30 -19.420 9.539 -15.615 1.00 0.00 C ATOM 482 C LYS A 30 -19.987 10.672 -16.464 1.00 0.00 C ATOM 483 O LYS A 30 -20.665 10.435 -17.465 1.00 0.00 O ATOM 484 CB LYS A 30 -20.557 8.850 -14.859 1.00 0.00 C ATOM 485 CG LYS A 30 -20.746 7.382 -15.203 1.00 0.00 C ATOM 486 CD LYS A 30 -19.531 6.553 -14.824 1.00 0.00 C ATOM 487 CE LYS A 30 -19.851 5.070 -14.860 1.00 0.00 C ATOM 488 NZ LYS A 30 -18.671 4.231 -14.531 1.00 0.00 N ATOM 0 H LYS A 30 -18.831 10.363 -13.786 1.00 0.00 H new ATOM 0 HA LYS A 30 -18.929 8.816 -16.267 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -20.370 8.938 -13.789 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -21.487 9.381 -15.065 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -21.624 6.997 -14.685 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -20.936 7.281 -16.271 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -18.711 6.768 -15.509 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -19.193 6.832 -13.826 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -20.654 4.857 -14.154 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -20.218 4.804 -15.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -18.980 3.390 -14.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -18.200 3.935 -15.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -18.006 4.780 -13.949 1.00 0.00 H new ATOM 502 N ASP A 31 -19.705 11.902 -16.054 1.00 0.00 N ATOM 503 CA ASP A 31 -20.244 13.077 -16.728 1.00 0.00 C ATOM 504 C ASP A 31 -19.376 13.480 -17.907 1.00 0.00 C ATOM 505 O ASP A 31 -18.148 13.499 -17.807 1.00 0.00 O ATOM 506 CB ASP A 31 -20.360 14.246 -15.758 1.00 0.00 C ATOM 507 CG ASP A 31 -21.010 15.453 -16.401 1.00 0.00 C ATOM 508 OD1 ASP A 31 -22.252 15.500 -16.463 1.00 0.00 O ATOM 509 OD2 ASP A 31 -20.282 16.352 -16.861 1.00 0.00 O ATOM 0 H ASP A 31 -19.105 12.112 -15.256 1.00 0.00 H new ATOM 0 HA ASP A 31 -21.236 12.817 -17.098 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -20.943 13.940 -14.889 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -19.368 14.518 -15.397 1.00 0.00 H new ATOM 514 N GLN A 32 -20.025 13.816 -19.013 1.00 0.00 N ATOM 515 CA GLN A 32 -19.335 14.185 -20.247 1.00 0.00 C ATOM 516 C GLN A 32 -18.554 15.488 -20.088 1.00 0.00 C ATOM 517 O GLN A 32 -17.387 15.569 -20.475 1.00 0.00 O ATOM 518 CB GLN A 32 -20.346 14.334 -21.386 1.00 0.00 C ATOM 519 CG GLN A 32 -21.152 13.075 -21.663 1.00 0.00 C ATOM 520 CD GLN A 32 -20.285 11.908 -22.089 1.00 0.00 C ATOM 521 OE1 GLN A 32 -19.828 11.121 -21.262 1.00 0.00 O ATOM 522 NE2 GLN A 32 -20.062 11.786 -23.386 1.00 0.00 N ATOM 0 H GLN A 32 -21.042 13.841 -19.083 1.00 0.00 H new ATOM 0 HA GLN A 32 -18.627 13.390 -20.480 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -21.031 15.147 -21.146 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -19.816 14.621 -22.294 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -21.709 12.801 -20.767 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -21.885 13.282 -22.443 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -20.461 12.462 -24.038 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -19.491 11.016 -23.735 1.00 0.00 H new ATOM 531 N ASP A 33 -19.202 16.495 -19.512 1.00 0.00 N ATOM 532 CA ASP A 33 -18.599 17.816 -19.351 1.00 0.00 C ATOM 533 C ASP A 33 -17.384 17.738 -18.438 1.00 0.00 C ATOM 534 O ASP A 33 -16.329 18.301 -18.735 1.00 0.00 O ATOM 535 CB ASP A 33 -19.608 18.813 -18.761 1.00 0.00 C ATOM 536 CG ASP A 33 -20.806 19.060 -19.654 1.00 0.00 C ATOM 537 OD1 ASP A 33 -21.671 18.163 -19.762 1.00 0.00 O ATOM 538 OD2 ASP A 33 -20.906 20.162 -20.227 1.00 0.00 O ATOM 0 H ASP A 33 -20.151 16.422 -19.146 1.00 0.00 H new ATOM 0 HA ASP A 33 -18.293 18.162 -20.338 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -19.954 18.440 -17.797 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -19.103 19.761 -18.573 1.00 0.00 H new ATOM 543 N VAL A 34 -17.545 17.027 -17.331 1.00 0.00 N ATOM 544 CA VAL A 34 -16.481 16.876 -16.348 1.00 0.00 C ATOM 545 C VAL A 34 -15.213 16.299 -16.969 1.00 0.00 C ATOM 546 O VAL A 34 -14.150 16.913 -16.895 1.00 0.00 O ATOM 547 CB VAL A 34 -16.930 15.989 -15.171 1.00 0.00 C ATOM 548 CG1 VAL A 34 -15.752 15.603 -14.297 1.00 0.00 C ATOM 549 CG2 VAL A 34 -17.978 16.710 -14.346 1.00 0.00 C ATOM 0 H VAL A 34 -18.409 16.542 -17.090 1.00 0.00 H new ATOM 0 HA VAL A 34 -16.257 17.875 -15.974 1.00 0.00 H new ATOM 0 HB VAL A 34 -17.362 15.076 -15.580 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -16.099 14.977 -13.475 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -15.024 15.051 -14.891 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -15.286 16.503 -13.896 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -18.289 16.075 -13.517 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -17.559 17.637 -13.955 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -18.841 16.937 -14.972 1.00 0.00 H new ATOM 559 N GLN A 35 -15.323 15.133 -17.596 1.00 0.00 N ATOM 560 CA GLN A 35 -14.153 14.463 -18.159 1.00 0.00 C ATOM 561 C GLN A 35 -13.552 15.253 -19.315 1.00 0.00 C ATOM 562 O GLN A 35 -12.348 15.183 -19.564 1.00 0.00 O ATOM 563 CB GLN A 35 -14.497 13.047 -18.608 1.00 0.00 C ATOM 564 CG GLN A 35 -15.683 12.969 -19.545 1.00 0.00 C ATOM 565 CD GLN A 35 -16.156 11.549 -19.728 1.00 0.00 C ATOM 566 OE1 GLN A 35 -15.733 10.852 -20.650 1.00 0.00 O ATOM 567 NE2 GLN A 35 -17.013 11.108 -18.824 1.00 0.00 N ATOM 0 H GLN A 35 -16.203 14.634 -17.728 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.405 14.406 -17.368 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.628 12.612 -19.102 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -14.702 12.437 -17.728 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -16.498 13.576 -19.152 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -15.410 13.390 -20.513 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -17.332 11.727 -18.079 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -17.355 10.148 -18.871 1.00 0.00 H new ATOM 576 N ALA A 36 -14.392 15.988 -20.027 1.00 0.00 N ATOM 577 CA ALA A 36 -13.918 16.885 -21.071 1.00 0.00 C ATOM 578 C ALA A 36 -13.048 17.979 -20.461 1.00 0.00 C ATOM 579 O ALA A 36 -12.005 18.337 -21.006 1.00 0.00 O ATOM 580 CB ALA A 36 -15.090 17.491 -21.827 1.00 0.00 C ATOM 0 H ALA A 36 -15.404 15.982 -19.902 1.00 0.00 H new ATOM 0 HA ALA A 36 -13.317 16.314 -21.779 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -14.716 18.159 -22.603 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.678 16.696 -22.285 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -15.717 18.054 -21.136 1.00 0.00 H new ATOM 586 N PHE A 37 -13.478 18.481 -19.311 1.00 0.00 N ATOM 587 CA PHE A 37 -12.731 19.492 -18.579 1.00 0.00 C ATOM 588 C PHE A 37 -11.454 18.901 -17.979 1.00 0.00 C ATOM 589 O PHE A 37 -10.418 19.569 -17.922 1.00 0.00 O ATOM 590 CB PHE A 37 -13.611 20.086 -17.480 1.00 0.00 C ATOM 591 CG PHE A 37 -12.923 21.119 -16.636 1.00 0.00 C ATOM 592 CD1 PHE A 37 -12.729 22.403 -17.110 1.00 0.00 C ATOM 593 CD2 PHE A 37 -12.484 20.803 -15.362 1.00 0.00 C ATOM 594 CE1 PHE A 37 -12.110 23.359 -16.326 1.00 0.00 C ATOM 595 CE2 PHE A 37 -11.862 21.754 -14.576 1.00 0.00 C ATOM 596 CZ PHE A 37 -11.676 23.034 -15.057 1.00 0.00 C ATOM 0 H PHE A 37 -14.350 18.200 -18.862 1.00 0.00 H new ATOM 0 HA PHE A 37 -12.441 20.281 -19.272 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -14.492 20.535 -17.938 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -13.962 19.280 -16.835 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -13.065 22.662 -18.103 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -12.629 19.804 -14.979 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -11.966 24.359 -16.707 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -11.521 21.495 -13.584 1.00 0.00 H new ATOM 0 HZ PHE A 37 -11.192 23.779 -14.442 1.00 0.00 H new ATOM 606 N LEU A 38 -11.539 17.649 -17.532 1.00 0.00 N ATOM 607 CA LEU A 38 -10.385 16.945 -16.973 1.00 0.00 C ATOM 608 C LEU A 38 -9.230 16.899 -17.962 1.00 0.00 C ATOM 609 O LEU A 38 -8.099 17.240 -17.626 1.00 0.00 O ATOM 610 CB LEU A 38 -10.758 15.516 -16.568 1.00 0.00 C ATOM 611 CG LEU A 38 -10.963 15.294 -15.068 1.00 0.00 C ATOM 612 CD1 LEU A 38 -9.745 15.778 -14.297 1.00 0.00 C ATOM 613 CD2 LEU A 38 -12.223 15.990 -14.582 1.00 0.00 C ATOM 0 H LEU A 38 -12.398 17.099 -17.546 1.00 0.00 H new ATOM 0 HA LEU A 38 -10.070 17.500 -16.089 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -11.674 15.236 -17.089 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.975 14.842 -16.915 1.00 0.00 H new ATOM 0 HG LEU A 38 -11.085 14.226 -14.890 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.901 15.615 -13.231 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.864 15.225 -14.623 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.595 16.841 -14.484 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -12.345 15.816 -13.513 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -12.142 17.061 -14.769 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -13.087 15.593 -15.115 1.00 0.00 H new ATOM 625 N LYS A 39 -9.526 16.493 -19.185 1.00 0.00 N ATOM 626 CA LYS A 39 -8.495 16.373 -20.209 1.00 0.00 C ATOM 627 C LYS A 39 -8.134 17.741 -20.769 1.00 0.00 C ATOM 628 O LYS A 39 -7.060 17.936 -21.329 1.00 0.00 O ATOM 629 CB LYS A 39 -8.942 15.426 -21.330 1.00 0.00 C ATOM 630 CG LYS A 39 -10.325 15.726 -21.889 1.00 0.00 C ATOM 631 CD LYS A 39 -10.686 14.788 -23.033 1.00 0.00 C ATOM 632 CE LYS A 39 -10.563 13.326 -22.630 1.00 0.00 C ATOM 633 NZ LYS A 39 -11.530 12.943 -21.566 1.00 0.00 N ATOM 0 H LYS A 39 -10.465 16.242 -19.495 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.605 15.947 -19.745 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -8.216 15.475 -22.142 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.929 14.404 -20.952 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -11.066 15.634 -21.095 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -10.360 16.758 -22.239 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -11.706 14.990 -23.359 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -10.034 14.986 -23.884 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.724 12.697 -23.505 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.549 13.133 -22.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -11.349 11.963 -21.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.419 13.579 -20.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -12.500 13.019 -21.934 1.00 0.00 H new ATOM 647 N GLU A 40 -9.043 18.687 -20.605 1.00 0.00 N ATOM 648 CA GLU A 40 -8.797 20.067 -20.979 1.00 0.00 C ATOM 649 C GLU A 40 -7.688 20.658 -20.120 1.00 0.00 C ATOM 650 O GLU A 40 -6.631 21.049 -20.619 1.00 0.00 O ATOM 651 CB GLU A 40 -10.075 20.873 -20.802 1.00 0.00 C ATOM 652 CG GLU A 40 -9.960 22.323 -21.225 1.00 0.00 C ATOM 653 CD GLU A 40 -9.597 22.493 -22.683 1.00 0.00 C ATOM 654 OE1 GLU A 40 -10.488 22.352 -23.545 1.00 0.00 O ATOM 655 OE2 GLU A 40 -8.421 22.794 -22.973 1.00 0.00 O ATOM 0 H GLU A 40 -9.969 18.520 -20.210 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.484 20.104 -22.023 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.871 20.401 -21.377 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.373 20.835 -19.754 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.907 22.827 -21.032 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.206 22.815 -20.610 1.00 0.00 H new ATOM 662 N ASN A 41 -7.925 20.687 -18.821 1.00 0.00 N ATOM 663 CA ASN A 41 -7.009 21.337 -17.893 1.00 0.00 C ATOM 664 C ASN A 41 -6.149 20.326 -17.149 1.00 0.00 C ATOM 665 O ASN A 41 -5.772 20.547 -15.997 1.00 0.00 O ATOM 666 CB ASN A 41 -7.786 22.202 -16.902 1.00 0.00 C ATOM 667 CG ASN A 41 -8.289 23.484 -17.534 1.00 0.00 C ATOM 668 OD1 ASN A 41 -7.596 24.499 -17.537 1.00 0.00 O ATOM 669 ND2 ASN A 41 -9.497 23.450 -18.075 1.00 0.00 N ATOM 0 H ASN A 41 -8.745 20.268 -18.381 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.342 21.972 -18.477 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.631 21.635 -16.512 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.146 22.444 -16.054 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -9.883 24.286 -18.514 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.042 22.588 -18.052 1.00 0.00 H new ATOM 676 N GLU A 42 -5.808 19.238 -17.829 1.00 0.00 N ATOM 677 CA GLU A 42 -4.958 18.195 -17.251 1.00 0.00 C ATOM 678 C GLU A 42 -3.576 18.739 -16.887 1.00 0.00 C ATOM 679 O GLU A 42 -2.856 18.154 -16.074 1.00 0.00 O ATOM 680 CB GLU A 42 -4.803 17.032 -18.236 1.00 0.00 C ATOM 681 CG GLU A 42 -4.315 17.462 -19.612 1.00 0.00 C ATOM 682 CD GLU A 42 -3.983 16.292 -20.515 1.00 0.00 C ATOM 683 OE1 GLU A 42 -4.911 15.719 -21.122 1.00 0.00 O ATOM 684 OE2 GLU A 42 -2.784 15.952 -20.632 1.00 0.00 O ATOM 0 H GLU A 42 -6.107 19.051 -18.786 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.442 17.843 -16.340 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.103 16.306 -17.822 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.762 16.525 -18.342 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.081 18.075 -20.088 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.430 18.088 -19.498 1.00 0.00 H new ATOM 691 N GLU A 43 -3.209 19.856 -17.500 1.00 0.00 N ATOM 692 CA GLU A 43 -1.909 20.470 -17.273 1.00 0.00 C ATOM 693 C GLU A 43 -1.949 21.391 -16.054 1.00 0.00 C ATOM 694 O GLU A 43 -0.913 21.767 -15.513 1.00 0.00 O ATOM 695 CB GLU A 43 -1.492 21.264 -18.514 1.00 0.00 C ATOM 696 CG GLU A 43 -0.004 21.575 -18.582 1.00 0.00 C ATOM 697 CD GLU A 43 0.834 20.342 -18.849 1.00 0.00 C ATOM 698 OE1 GLU A 43 1.195 19.635 -17.885 1.00 0.00 O ATOM 699 OE2 GLU A 43 1.136 20.072 -20.030 1.00 0.00 O ATOM 0 H GLU A 43 -3.799 20.358 -18.163 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.180 19.682 -17.083 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.776 20.702 -19.404 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.049 22.200 -18.537 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.175 22.309 -19.367 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.312 22.029 -17.643 1.00 0.00 H new ATOM 706 N VAL A 44 -3.152 21.747 -15.618 1.00 0.00 N ATOM 707 CA VAL A 44 -3.308 22.728 -14.550 1.00 0.00 C ATOM 708 C VAL A 44 -3.811 22.081 -13.262 1.00 0.00 C ATOM 709 O VAL A 44 -3.325 22.384 -12.171 1.00 0.00 O ATOM 710 CB VAL A 44 -4.281 23.856 -14.966 1.00 0.00 C ATOM 711 CG1 VAL A 44 -4.353 24.934 -13.892 1.00 0.00 C ATOM 712 CG2 VAL A 44 -3.865 24.455 -16.304 1.00 0.00 C ATOM 0 H VAL A 44 -4.028 21.374 -15.984 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.321 23.153 -14.367 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.275 23.424 -15.078 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.043 25.716 -14.207 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.704 24.495 -12.958 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.363 25.364 -13.741 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.561 25.247 -16.580 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.860 24.868 -16.221 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.876 23.679 -17.069 1.00 0.00 H new ATOM 722 N ILE A 45 -4.775 21.182 -13.399 1.00 0.00 N ATOM 723 CA ILE A 45 -5.426 20.561 -12.247 1.00 0.00 C ATOM 724 C ILE A 45 -4.562 19.456 -11.638 1.00 0.00 C ATOM 725 O ILE A 45 -3.869 18.733 -12.352 1.00 0.00 O ATOM 726 CB ILE A 45 -6.785 19.958 -12.653 1.00 0.00 C ATOM 727 CG1 ILE A 45 -7.649 21.001 -13.359 1.00 0.00 C ATOM 728 CG2 ILE A 45 -7.514 19.411 -11.436 1.00 0.00 C ATOM 729 CD1 ILE A 45 -8.923 20.425 -13.934 1.00 0.00 C ATOM 0 H ILE A 45 -5.128 20.863 -14.301 1.00 0.00 H new ATOM 0 HA ILE A 45 -5.572 21.345 -11.504 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.597 19.137 -13.345 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -7.901 21.793 -12.654 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.071 21.461 -14.161 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.471 18.990 -11.744 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.909 18.634 -10.968 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -7.685 20.217 -10.722 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -9.492 21.216 -14.422 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.677 19.653 -14.663 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.520 19.990 -13.132 1.00 0.00 H new ATOM 741 N ASP A 46 -4.608 19.338 -10.313 1.00 0.00 N ATOM 742 CA ASP A 46 -3.916 18.263 -9.601 1.00 0.00 C ATOM 743 C ASP A 46 -4.931 17.240 -9.100 1.00 0.00 C ATOM 744 O ASP A 46 -6.131 17.518 -9.065 1.00 0.00 O ATOM 745 CB ASP A 46 -3.132 18.826 -8.407 1.00 0.00 C ATOM 746 CG ASP A 46 -2.236 17.795 -7.742 1.00 0.00 C ATOM 747 OD1 ASP A 46 -1.074 17.642 -8.173 1.00 0.00 O ATOM 748 OD2 ASP A 46 -2.692 17.136 -6.785 1.00 0.00 O ATOM 0 H ASP A 46 -5.121 19.978 -9.706 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.219 17.785 -10.289 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.523 19.665 -8.743 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -3.834 19.217 -7.671 1.00 0.00 H new ATOM 753 N GLN A 47 -4.446 16.072 -8.704 1.00 0.00 N ATOM 754 CA GLN A 47 -5.294 15.036 -8.135 1.00 0.00 C ATOM 755 C GLN A 47 -6.027 15.547 -6.896 1.00 0.00 C ATOM 756 O GLN A 47 -7.230 15.335 -6.740 1.00 0.00 O ATOM 757 CB GLN A 47 -4.449 13.826 -7.750 1.00 0.00 C ATOM 758 CG GLN A 47 -3.828 13.099 -8.931 1.00 0.00 C ATOM 759 CD GLN A 47 -3.264 11.746 -8.540 1.00 0.00 C ATOM 760 OE1 GLN A 47 -3.778 11.080 -7.643 1.00 0.00 O ATOM 761 NE2 GLN A 47 -2.195 11.337 -9.199 1.00 0.00 N ATOM 0 H GLN A 47 -3.460 15.817 -8.768 1.00 0.00 H new ATOM 0 HA GLN A 47 -6.030 14.752 -8.888 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -3.654 14.151 -7.079 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.071 13.125 -7.192 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -4.579 12.966 -9.709 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -3.034 13.713 -9.356 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.798 11.918 -9.937 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -1.767 10.440 -8.970 1.00 0.00 H new ATOM 770 N LYS A 48 -5.294 16.235 -6.025 1.00 0.00 N ATOM 771 CA LYS A 48 -5.866 16.754 -4.788 1.00 0.00 C ATOM 772 C LYS A 48 -6.886 17.843 -5.093 1.00 0.00 C ATOM 773 O LYS A 48 -7.917 17.960 -4.442 1.00 0.00 O ATOM 774 CB LYS A 48 -4.770 17.311 -3.883 1.00 0.00 C ATOM 775 CG LYS A 48 -3.708 16.289 -3.486 1.00 0.00 C ATOM 776 CD LYS A 48 -4.306 14.975 -2.990 1.00 0.00 C ATOM 777 CE LYS A 48 -5.124 15.147 -1.716 1.00 0.00 C ATOM 778 NZ LYS A 48 -4.305 15.622 -0.571 1.00 0.00 N ATOM 0 H LYS A 48 -4.304 16.445 -6.153 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.365 15.934 -4.272 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.284 18.145 -4.390 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.229 17.711 -2.979 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.065 16.089 -4.343 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.077 16.713 -2.705 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.939 14.551 -3.769 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.503 14.261 -2.808 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.931 15.856 -1.900 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.589 14.196 -1.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.874 15.593 0.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.473 15.008 -0.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.993 16.598 -0.748 1.00 0.00 H new ATOM 792 N MET A 49 -6.578 18.632 -6.098 1.00 0.00 N ATOM 793 CA MET A 49 -7.484 19.667 -6.569 1.00 0.00 C ATOM 794 C MET A 49 -8.828 19.055 -6.966 1.00 0.00 C ATOM 795 O MET A 49 -9.883 19.640 -6.716 1.00 0.00 O ATOM 796 CB MET A 49 -6.849 20.387 -7.762 1.00 0.00 C ATOM 797 CG MET A 49 -7.439 21.747 -8.083 1.00 0.00 C ATOM 798 SD MET A 49 -6.626 22.499 -9.509 1.00 0.00 S ATOM 799 CE MET A 49 -7.451 24.084 -9.591 1.00 0.00 C ATOM 0 H MET A 49 -5.699 18.579 -6.612 1.00 0.00 H new ATOM 0 HA MET A 49 -7.662 20.386 -5.769 1.00 0.00 H new ATOM 0 HB2 MET A 49 -5.783 20.508 -7.568 1.00 0.00 H new ATOM 0 HB3 MET A 49 -6.943 19.751 -8.642 1.00 0.00 H new ATOM 0 HG2 MET A 49 -8.506 21.644 -8.283 1.00 0.00 H new ATOM 0 HG3 MET A 49 -7.338 22.402 -7.218 1.00 0.00 H new ATOM 0 HE1 MET A 49 -6.736 24.851 -9.888 1.00 0.00 H new ATOM 0 HE2 MET A 49 -8.258 24.037 -10.322 1.00 0.00 H new ATOM 0 HE3 MET A 49 -7.862 24.331 -8.612 1.00 0.00 H new ATOM 809 N ILE A 50 -8.775 17.867 -7.562 1.00 0.00 N ATOM 810 CA ILE A 50 -9.976 17.145 -7.971 1.00 0.00 C ATOM 811 C ILE A 50 -10.834 16.765 -6.768 1.00 0.00 C ATOM 812 O ILE A 50 -12.013 17.099 -6.711 1.00 0.00 O ATOM 813 CB ILE A 50 -9.618 15.869 -8.768 1.00 0.00 C ATOM 814 CG1 ILE A 50 -9.027 16.242 -10.124 1.00 0.00 C ATOM 815 CG2 ILE A 50 -10.836 14.971 -8.941 1.00 0.00 C ATOM 816 CD1 ILE A 50 -9.974 17.035 -11.001 1.00 0.00 C ATOM 0 H ILE A 50 -7.904 17.380 -7.774 1.00 0.00 H new ATOM 0 HA ILE A 50 -10.546 17.817 -8.612 1.00 0.00 H new ATOM 0 HB ILE A 50 -8.871 15.312 -8.203 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -8.118 16.823 -9.967 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.737 15.331 -10.648 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -10.555 14.081 -9.505 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -11.213 14.676 -7.962 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -11.613 15.512 -9.481 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.486 17.265 -11.948 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -10.873 16.449 -11.189 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -10.245 17.963 -10.498 1.00 0.00 H new ATOM 828 N GLU A 51 -10.231 16.077 -5.806 1.00 0.00 N ATOM 829 CA GLU A 51 -10.958 15.626 -4.631 1.00 0.00 C ATOM 830 C GLU A 51 -11.483 16.797 -3.821 1.00 0.00 C ATOM 831 O GLU A 51 -12.631 16.797 -3.373 1.00 0.00 O ATOM 832 CB GLU A 51 -10.079 14.720 -3.769 1.00 0.00 C ATOM 833 CG GLU A 51 -8.691 15.253 -3.448 1.00 0.00 C ATOM 834 CD GLU A 51 -8.627 15.946 -2.099 1.00 0.00 C ATOM 835 OE1 GLU A 51 -9.507 15.689 -1.249 1.00 0.00 O ATOM 836 OE2 GLU A 51 -7.690 16.733 -1.872 1.00 0.00 O ATOM 0 H GLU A 51 -9.244 15.821 -5.818 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.818 15.049 -4.972 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -10.599 14.527 -2.831 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.971 13.761 -4.276 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.978 14.429 -3.463 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -8.386 15.953 -4.226 1.00 0.00 H new ATOM 843 N LYS A 52 -10.637 17.791 -3.646 1.00 0.00 N ATOM 844 CA LYS A 52 -11.002 19.002 -2.927 1.00 0.00 C ATOM 845 C LYS A 52 -12.221 19.690 -3.551 1.00 0.00 C ATOM 846 O LYS A 52 -13.015 20.312 -2.842 1.00 0.00 O ATOM 847 CB LYS A 52 -9.820 19.976 -2.891 1.00 0.00 C ATOM 848 CG LYS A 52 -10.085 21.256 -2.103 1.00 0.00 C ATOM 849 CD LYS A 52 -9.812 21.103 -0.608 1.00 0.00 C ATOM 850 CE LYS A 52 -10.783 20.151 0.082 1.00 0.00 C ATOM 851 NZ LYS A 52 -12.205 20.555 -0.107 1.00 0.00 N ATOM 0 H LYS A 52 -9.679 17.786 -3.996 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.265 18.710 -1.910 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -8.959 19.468 -2.457 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -9.552 20.242 -3.914 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.461 22.057 -2.501 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.122 21.558 -2.248 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.794 20.740 -0.466 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.871 22.082 -0.132 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.639 19.144 -0.309 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.557 20.115 1.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -12.812 19.996 0.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -12.311 21.565 0.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.486 20.386 -1.094 1.00 0.00 H new ATOM 865 N SER A 53 -12.377 19.578 -4.866 1.00 0.00 N ATOM 866 CA SER A 53 -13.493 20.219 -5.546 1.00 0.00 C ATOM 867 C SER A 53 -14.519 19.192 -6.028 1.00 0.00 C ATOM 868 O SER A 53 -15.399 19.517 -6.820 1.00 0.00 O ATOM 869 CB SER A 53 -12.984 21.050 -6.725 1.00 0.00 C ATOM 870 OG SER A 53 -12.261 20.252 -7.639 1.00 0.00 O ATOM 0 H SER A 53 -11.750 19.054 -5.476 1.00 0.00 H new ATOM 0 HA SER A 53 -13.988 20.876 -4.831 1.00 0.00 H new ATOM 0 HB2 SER A 53 -13.827 21.518 -7.234 1.00 0.00 H new ATOM 0 HB3 SER A 53 -12.347 21.855 -6.358 1.00 0.00 H new ATOM 0 HG SER A 53 -11.323 20.202 -7.359 1.00 0.00 H new ATOM 876 N LEU A 54 -14.420 17.960 -5.527 1.00 0.00 N ATOM 877 CA LEU A 54 -15.338 16.894 -5.921 1.00 0.00 C ATOM 878 C LEU A 54 -16.780 17.279 -5.599 1.00 0.00 C ATOM 879 O LEU A 54 -17.704 16.934 -6.331 1.00 0.00 O ATOM 880 CB LEU A 54 -14.969 15.590 -5.211 1.00 0.00 C ATOM 881 CG LEU A 54 -15.803 14.370 -5.606 1.00 0.00 C ATOM 882 CD1 LEU A 54 -15.645 14.064 -7.087 1.00 0.00 C ATOM 883 CD2 LEU A 54 -15.413 13.164 -4.769 1.00 0.00 C ATOM 0 H LEU A 54 -13.713 17.677 -4.848 1.00 0.00 H new ATOM 0 HA LEU A 54 -15.253 16.746 -6.998 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -13.920 15.372 -5.410 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -15.064 15.742 -4.136 1.00 0.00 H new ATOM 0 HG LEU A 54 -16.852 14.599 -5.415 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -16.247 13.193 -7.345 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -15.977 14.921 -7.673 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -14.597 13.859 -7.306 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -16.017 12.306 -5.064 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -14.359 12.937 -4.927 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -15.583 13.382 -3.715 1.00 0.00 H new ATOM 895 N ASN A 55 -16.958 18.006 -4.505 1.00 0.00 N ATOM 896 CA ASN A 55 -18.274 18.503 -4.117 1.00 0.00 C ATOM 897 C ASN A 55 -18.778 19.540 -5.119 1.00 0.00 C ATOM 898 O ASN A 55 -19.960 19.561 -5.457 1.00 0.00 O ATOM 899 CB ASN A 55 -18.234 19.093 -2.701 1.00 0.00 C ATOM 900 CG ASN A 55 -17.179 20.170 -2.537 1.00 0.00 C ATOM 901 OD1 ASN A 55 -17.441 21.351 -2.746 1.00 0.00 O ATOM 902 ND2 ASN A 55 -15.978 19.769 -2.149 1.00 0.00 N ATOM 0 H ASN A 55 -16.206 18.266 -3.867 1.00 0.00 H new ATOM 0 HA ASN A 55 -18.969 17.663 -4.118 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -19.212 19.510 -2.459 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -18.043 18.293 -1.985 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -15.232 20.451 -2.014 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -15.799 18.778 -1.985 1.00 0.00 H new ATOM 909 N LYS A 56 -17.871 20.380 -5.614 1.00 0.00 N ATOM 910 CA LYS A 56 -18.212 21.373 -6.628 1.00 0.00 C ATOM 911 C LYS A 56 -18.599 20.677 -7.928 1.00 0.00 C ATOM 912 O LYS A 56 -19.624 20.985 -8.531 1.00 0.00 O ATOM 913 CB LYS A 56 -17.029 22.316 -6.878 1.00 0.00 C ATOM 914 CG LYS A 56 -16.616 23.139 -5.663 1.00 0.00 C ATOM 915 CD LYS A 56 -17.543 24.326 -5.431 1.00 0.00 C ATOM 916 CE LYS A 56 -17.321 25.423 -6.465 1.00 0.00 C ATOM 917 NZ LYS A 56 -18.098 26.654 -6.150 1.00 0.00 N ATOM 0 H LYS A 56 -16.892 20.392 -5.328 1.00 0.00 H new ATOM 0 HA LYS A 56 -19.057 21.960 -6.267 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -16.174 21.727 -7.211 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -17.286 22.994 -7.692 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -16.615 22.502 -4.778 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -15.596 23.498 -5.799 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -18.580 23.992 -5.471 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -17.377 24.728 -4.432 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -16.260 25.667 -6.512 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -17.608 25.056 -7.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -17.958 27.356 -6.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -19.108 26.418 -6.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -17.771 27.049 -5.245 1.00 0.00 H new ATOM 931 N LEU A 57 -17.772 19.723 -8.340 1.00 0.00 N ATOM 932 CA LEU A 57 -18.012 18.968 -9.563 1.00 0.00 C ATOM 933 C LEU A 57 -19.283 18.130 -9.457 1.00 0.00 C ATOM 934 O LEU A 57 -20.013 17.974 -10.435 1.00 0.00 O ATOM 935 CB LEU A 57 -16.813 18.069 -9.886 1.00 0.00 C ATOM 936 CG LEU A 57 -15.691 18.727 -10.705 1.00 0.00 C ATOM 937 CD1 LEU A 57 -15.109 19.931 -9.982 1.00 0.00 C ATOM 938 CD2 LEU A 57 -14.596 17.717 -11.012 1.00 0.00 C ATOM 0 H LEU A 57 -16.924 19.453 -7.841 1.00 0.00 H new ATOM 0 HA LEU A 57 -18.144 19.685 -10.373 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -16.390 17.707 -8.949 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -17.172 17.196 -10.431 1.00 0.00 H new ATOM 0 HG LEU A 57 -16.124 19.076 -11.642 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -14.318 20.372 -10.589 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -15.893 20.669 -9.815 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -14.697 19.616 -9.023 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -13.809 18.199 -11.592 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -14.179 17.338 -10.079 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -15.015 16.889 -11.585 1.00 0.00 H new ATOM 950 N TYR A 58 -19.554 17.600 -8.272 1.00 0.00 N ATOM 951 CA TYR A 58 -20.761 16.813 -8.057 1.00 0.00 C ATOM 952 C TYR A 58 -21.995 17.711 -8.116 1.00 0.00 C ATOM 953 O TYR A 58 -23.001 17.357 -8.728 1.00 0.00 O ATOM 954 CB TYR A 58 -20.699 16.078 -6.719 1.00 0.00 C ATOM 955 CG TYR A 58 -21.805 15.068 -6.544 1.00 0.00 C ATOM 956 CD1 TYR A 58 -21.904 13.977 -7.395 1.00 0.00 C ATOM 957 CD2 TYR A 58 -22.754 15.210 -5.545 1.00 0.00 C ATOM 958 CE1 TYR A 58 -22.918 13.054 -7.255 1.00 0.00 C ATOM 959 CE2 TYR A 58 -23.775 14.293 -5.396 1.00 0.00 C ATOM 960 CZ TYR A 58 -23.855 13.216 -6.254 1.00 0.00 C ATOM 961 OH TYR A 58 -24.879 12.304 -6.111 1.00 0.00 O ATOM 0 H TYR A 58 -18.959 17.700 -7.450 1.00 0.00 H new ATOM 0 HA TYR A 58 -20.831 16.069 -8.850 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -19.737 15.572 -6.634 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -20.749 16.806 -5.909 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -21.174 13.849 -8.181 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -22.694 16.052 -4.871 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -22.979 12.209 -7.925 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -24.507 14.418 -4.612 1.00 0.00 H new ATOM 0 HH TYR A 58 -25.448 12.567 -5.358 1.00 0.00 H new ATOM 971 N GLU A 59 -21.900 18.878 -7.486 1.00 0.00 N ATOM 972 CA GLU A 59 -22.955 19.886 -7.553 1.00 0.00 C ATOM 973 C GLU A 59 -23.199 20.284 -9.008 1.00 0.00 C ATOM 974 O GLU A 59 -24.327 20.528 -9.433 1.00 0.00 O ATOM 975 CB GLU A 59 -22.538 21.116 -6.743 1.00 0.00 C ATOM 976 CG GLU A 59 -23.599 22.202 -6.656 1.00 0.00 C ATOM 977 CD GLU A 59 -24.756 21.825 -5.757 1.00 0.00 C ATOM 978 OE1 GLU A 59 -24.593 21.879 -4.516 1.00 0.00 O ATOM 979 OE2 GLU A 59 -25.838 21.501 -6.274 1.00 0.00 O ATOM 0 H GLU A 59 -21.097 19.151 -6.919 1.00 0.00 H new ATOM 0 HA GLU A 59 -23.875 19.474 -7.138 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -22.277 20.799 -5.733 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -21.637 21.540 -7.187 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -23.142 23.120 -6.286 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -23.977 22.414 -7.656 1.00 0.00 H new ATOM 986 N TYR A 60 -22.110 20.340 -9.752 1.00 0.00 N ATOM 987 CA TYR A 60 -22.126 20.688 -11.163 1.00 0.00 C ATOM 988 C TYR A 60 -22.938 19.687 -11.982 1.00 0.00 C ATOM 989 O TYR A 60 -23.757 20.076 -12.812 1.00 0.00 O ATOM 990 CB TYR A 60 -20.680 20.736 -11.658 1.00 0.00 C ATOM 991 CG TYR A 60 -20.503 20.974 -13.141 1.00 0.00 C ATOM 992 CD1 TYR A 60 -20.667 22.238 -13.681 1.00 0.00 C ATOM 993 CD2 TYR A 60 -20.127 19.938 -13.989 1.00 0.00 C ATOM 994 CE1 TYR A 60 -20.465 22.469 -15.025 1.00 0.00 C ATOM 995 CE2 TYR A 60 -19.930 20.160 -15.339 1.00 0.00 C ATOM 996 CZ TYR A 60 -20.098 21.429 -15.852 1.00 0.00 C ATOM 997 OH TYR A 60 -19.885 21.666 -17.194 1.00 0.00 O ATOM 0 H TYR A 60 -21.177 20.143 -9.390 1.00 0.00 H new ATOM 0 HA TYR A 60 -22.604 21.660 -11.288 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -20.156 21.524 -11.117 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -20.195 19.795 -11.399 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -20.958 23.056 -13.039 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -19.987 18.945 -13.587 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -20.594 23.462 -15.429 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -19.646 19.345 -15.988 1.00 0.00 H new ATOM 0 HH TYR A 60 -20.601 21.250 -17.717 1.00 0.00 H new ATOM 1007 N ILE A 61 -22.690 18.406 -11.767 1.00 0.00 N ATOM 1008 CA ILE A 61 -23.370 17.371 -12.532 1.00 0.00 C ATOM 1009 C ILE A 61 -24.811 17.156 -12.066 1.00 0.00 C ATOM 1010 O ILE A 61 -25.671 16.784 -12.862 1.00 0.00 O ATOM 1011 CB ILE A 61 -22.603 16.034 -12.507 1.00 0.00 C ATOM 1012 CG1 ILE A 61 -22.552 15.444 -11.099 1.00 0.00 C ATOM 1013 CG2 ILE A 61 -21.195 16.245 -13.041 1.00 0.00 C ATOM 1014 CD1 ILE A 61 -21.834 14.117 -11.037 1.00 0.00 C ATOM 0 H ILE A 61 -22.027 18.058 -11.074 1.00 0.00 H new ATOM 0 HA ILE A 61 -23.398 17.732 -13.560 1.00 0.00 H new ATOM 0 HB ILE A 61 -23.132 15.324 -13.142 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -22.055 16.150 -10.434 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -23.569 15.317 -10.728 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -20.653 15.299 -13.023 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -21.246 16.615 -14.065 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -20.675 16.973 -12.418 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -21.833 13.752 -10.010 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -22.344 13.397 -11.677 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -20.807 14.243 -11.379 1.00 0.00 H new ATOM 1026 N GLU A 62 -25.076 17.381 -10.779 1.00 0.00 N ATOM 1027 CA GLU A 62 -26.411 17.139 -10.236 1.00 0.00 C ATOM 1028 C GLU A 62 -27.362 18.288 -10.559 1.00 0.00 C ATOM 1029 O GLU A 62 -28.583 18.119 -10.507 1.00 0.00 O ATOM 1030 CB GLU A 62 -26.370 16.905 -8.719 1.00 0.00 C ATOM 1031 CG GLU A 62 -25.967 18.125 -7.909 1.00 0.00 C ATOM 1032 CD GLU A 62 -26.154 17.920 -6.419 1.00 0.00 C ATOM 1033 OE1 GLU A 62 -25.288 17.282 -5.784 1.00 0.00 O ATOM 1034 OE2 GLU A 62 -27.176 18.391 -5.874 1.00 0.00 O ATOM 0 H GLU A 62 -24.395 17.725 -10.102 1.00 0.00 H new ATOM 0 HA GLU A 62 -26.786 16.234 -10.714 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -27.354 16.572 -8.388 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.672 16.096 -8.507 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -24.923 18.363 -8.112 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -26.558 18.983 -8.231 1.00 0.00 H new ATOM 1041 N GLN A 63 -26.814 19.453 -10.877 1.00 0.00 N ATOM 1042 CA GLN A 63 -27.642 20.600 -11.223 1.00 0.00 C ATOM 1043 C GLN A 63 -28.067 20.521 -12.687 1.00 0.00 C ATOM 1044 O GLN A 63 -27.654 19.617 -13.418 1.00 0.00 O ATOM 1045 CB GLN A 63 -26.902 21.916 -10.949 1.00 0.00 C ATOM 1046 CG GLN A 63 -25.752 22.195 -11.898 1.00 0.00 C ATOM 1047 CD GLN A 63 -25.081 23.523 -11.615 1.00 0.00 C ATOM 1048 OE1 GLN A 63 -25.447 24.550 -12.183 1.00 0.00 O ATOM 1049 NE2 GLN A 63 -24.108 23.516 -10.720 1.00 0.00 N ATOM 0 H GLN A 63 -25.809 19.628 -10.903 1.00 0.00 H new ATOM 0 HA GLN A 63 -28.534 20.579 -10.596 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -27.614 22.739 -11.008 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -26.519 21.898 -9.928 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -25.016 21.395 -11.819 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -26.121 22.188 -12.924 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -23.834 22.642 -10.271 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -23.631 24.385 -10.478 1.00 0.00 H new ATOM 1058 N SER A 64 -28.897 21.462 -13.108 1.00 0.00 N ATOM 1059 CA SER A 64 -29.393 21.483 -14.473 1.00 0.00 C ATOM 1060 C SER A 64 -28.272 21.804 -15.456 1.00 0.00 C ATOM 1061 O SER A 64 -27.845 22.950 -15.580 1.00 0.00 O ATOM 1062 CB SER A 64 -30.526 22.499 -14.603 1.00 0.00 C ATOM 1063 OG SER A 64 -31.559 22.210 -13.678 1.00 0.00 O ATOM 0 H SER A 64 -29.241 22.222 -12.522 1.00 0.00 H new ATOM 0 HA SER A 64 -29.778 20.492 -14.715 1.00 0.00 H new ATOM 0 HB2 SER A 64 -30.143 23.504 -14.427 1.00 0.00 H new ATOM 0 HB3 SER A 64 -30.923 22.482 -15.618 1.00 0.00 H new ATOM 0 HG SER A 64 -31.309 22.546 -12.792 1.00 0.00 H new ATOM 1069 N LYS A 65 -27.788 20.769 -16.131 1.00 0.00 N ATOM 1070 CA LYS A 65 -26.750 20.923 -17.139 1.00 0.00 C ATOM 1071 C LYS A 65 -27.305 21.645 -18.364 1.00 0.00 C ATOM 1072 O LYS A 65 -26.588 22.371 -19.053 1.00 0.00 O ATOM 1073 CB LYS A 65 -26.206 19.551 -17.548 1.00 0.00 C ATOM 1074 CG LYS A 65 -25.018 19.621 -18.495 1.00 0.00 C ATOM 1075 CD LYS A 65 -23.752 20.078 -17.782 1.00 0.00 C ATOM 1076 CE LYS A 65 -23.247 19.018 -16.814 1.00 0.00 C ATOM 1077 NZ LYS A 65 -22.972 17.735 -17.510 1.00 0.00 N ATOM 0 H LYS A 65 -28.101 19.808 -15.996 1.00 0.00 H new ATOM 0 HA LYS A 65 -25.940 21.517 -16.716 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -25.913 19.004 -16.652 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -27.004 18.980 -18.023 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -24.850 18.641 -18.941 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -25.244 20.308 -19.311 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -22.978 20.300 -18.517 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -23.951 21.003 -17.240 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -22.338 19.371 -16.327 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -23.987 18.857 -16.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -22.629 17.034 -16.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -23.846 17.387 -17.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -22.248 17.885 -18.241 1.00 0.00 H new ATOM 1091 N ASN A 66 -28.587 21.439 -18.623 1.00 0.00 N ATOM 1092 CA ASN A 66 -29.253 22.062 -19.756 1.00 0.00 C ATOM 1093 C ASN A 66 -29.916 23.359 -19.322 1.00 0.00 C ATOM 1094 O ASN A 66 -29.637 23.877 -18.246 1.00 0.00 O ATOM 1095 CB ASN A 66 -30.305 21.118 -20.349 1.00 0.00 C ATOM 1096 CG ASN A 66 -29.703 19.886 -20.993 1.00 0.00 C ATOM 1097 OD1 ASN A 66 -28.587 19.924 -21.509 1.00 0.00 O ATOM 1098 ND2 ASN A 66 -30.437 18.784 -20.970 1.00 0.00 N ATOM 0 H ASN A 66 -29.191 20.841 -18.059 1.00 0.00 H new ATOM 0 HA ASN A 66 -28.505 22.277 -20.519 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -30.993 20.810 -19.562 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -30.892 21.659 -21.091 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -30.081 17.925 -21.390 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -31.358 18.794 -20.532 1.00 0.00 H new ATOM 1105 N CYS A 67 -30.795 23.887 -20.158 1.00 0.00 N ATOM 1106 CA CYS A 67 -31.512 25.099 -19.818 1.00 0.00 C ATOM 1107 C CYS A 67 -32.790 25.174 -20.633 1.00 0.00 C ATOM 1108 O CYS A 67 -32.900 24.524 -21.671 1.00 0.00 O ATOM 1109 CB CYS A 67 -30.659 26.337 -20.087 1.00 0.00 C ATOM 1110 SG CYS A 67 -30.844 27.008 -21.770 1.00 0.00 S ATOM 0 H CYS A 67 -31.026 23.496 -21.071 1.00 0.00 H new ATOM 0 HA CYS A 67 -31.749 25.073 -18.754 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -30.922 27.111 -19.367 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -29.611 26.088 -19.919 1.00 0.00 H new ATOM 0 HG CYS A 67 -30.850 26.032 -22.628 1.00 0.00 H new ATOM 1115 N SER A 68 -33.711 26.011 -20.198 1.00 0.00 N ATOM 1116 CA SER A 68 -35.037 26.106 -20.808 1.00 0.00 C ATOM 1117 C SER A 68 -34.978 26.717 -22.212 1.00 0.00 C ATOM 1118 O SER A 68 -35.894 26.549 -23.015 1.00 0.00 O ATOM 1119 CB SER A 68 -35.948 26.929 -19.897 1.00 0.00 C ATOM 1120 OG SER A 68 -35.277 28.094 -19.443 1.00 0.00 O ATOM 0 H SER A 68 -33.569 26.647 -19.413 1.00 0.00 H new ATOM 0 HA SER A 68 -35.440 25.099 -20.920 1.00 0.00 H new ATOM 0 HB2 SER A 68 -36.853 27.210 -20.436 1.00 0.00 H new ATOM 0 HB3 SER A 68 -36.260 26.326 -19.044 1.00 0.00 H new ATOM 0 HG SER A 68 -35.874 28.610 -18.862 1.00 0.00 H new ATOM 1126 N TYR A 69 -33.882 27.407 -22.511 1.00 0.00 N ATOM 1127 CA TYR A 69 -33.695 28.043 -23.814 1.00 0.00 C ATOM 1128 C TYR A 69 -33.294 27.018 -24.868 1.00 0.00 C ATOM 1129 O TYR A 69 -32.954 27.366 -25.992 1.00 0.00 O ATOM 1130 CB TYR A 69 -32.617 29.113 -23.716 1.00 0.00 C ATOM 1131 CG TYR A 69 -32.975 30.409 -24.413 1.00 0.00 C ATOM 1132 CD1 TYR A 69 -32.948 30.506 -25.799 1.00 0.00 C ATOM 1133 CD2 TYR A 69 -33.347 31.532 -23.684 1.00 0.00 C ATOM 1134 CE1 TYR A 69 -33.280 31.686 -26.437 1.00 0.00 C ATOM 1135 CE2 TYR A 69 -33.682 32.713 -24.315 1.00 0.00 C ATOM 1136 CZ TYR A 69 -33.646 32.784 -25.690 1.00 0.00 C ATOM 1137 OH TYR A 69 -33.982 33.957 -26.322 1.00 0.00 O ATOM 0 H TYR A 69 -33.104 27.541 -21.865 1.00 0.00 H new ATOM 0 HA TYR A 69 -34.641 28.497 -24.110 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -32.419 29.320 -22.664 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -31.693 28.725 -24.144 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -32.663 29.646 -26.387 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -33.374 31.480 -22.606 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -33.253 31.747 -27.515 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -33.971 33.576 -23.734 1.00 0.00 H new ATOM 0 HH TYR A 69 -34.217 34.633 -25.653 1.00 0.00 H new ATOM 1147 N CYS A 70 -33.283 25.758 -24.478 1.00 0.00 N ATOM 1148 CA CYS A 70 -33.009 24.680 -25.420 1.00 0.00 C ATOM 1149 C CYS A 70 -33.819 23.436 -25.067 1.00 0.00 C ATOM 1150 O CYS A 70 -34.421 22.807 -25.934 1.00 0.00 O ATOM 1151 CB CYS A 70 -31.513 24.360 -25.458 1.00 0.00 C ATOM 1152 SG CYS A 70 -30.812 23.878 -23.851 1.00 0.00 S ATOM 0 H CYS A 70 -33.459 25.452 -23.521 1.00 0.00 H new ATOM 0 HA CYS A 70 -33.310 25.012 -26.414 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -31.343 23.554 -26.172 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -30.976 25.233 -25.829 1.00 0.00 H new ATOM 0 HG CYS A 70 -31.602 24.272 -22.897 1.00 0.00 H new ATOM 1157 N SER A 71 -33.848 23.102 -23.788 1.00 0.00 N ATOM 1158 CA SER A 71 -34.593 21.953 -23.312 1.00 0.00 C ATOM 1159 C SER A 71 -35.858 22.428 -22.607 1.00 0.00 C ATOM 1160 O SER A 71 -35.788 23.244 -21.689 1.00 0.00 O ATOM 1161 CB SER A 71 -33.724 21.137 -22.353 1.00 0.00 C ATOM 1162 OG SER A 71 -32.392 21.046 -22.837 1.00 0.00 O ATOM 0 H SER A 71 -33.359 23.617 -23.056 1.00 0.00 H new ATOM 0 HA SER A 71 -34.872 21.321 -24.155 1.00 0.00 H new ATOM 0 HB2 SER A 71 -33.727 21.601 -21.367 1.00 0.00 H new ATOM 0 HB3 SER A 71 -34.143 20.138 -22.236 1.00 0.00 H new ATOM 0 HG SER A 71 -32.019 21.946 -22.940 1.00 0.00 H new ATOM 1168 N GLU A 72 -37.008 21.929 -23.039 1.00 0.00 N ATOM 1169 CA GLU A 72 -38.284 22.348 -22.469 1.00 0.00 C ATOM 1170 C GLU A 72 -38.648 21.505 -21.248 1.00 0.00 C ATOM 1171 O GLU A 72 -39.771 21.566 -20.747 1.00 0.00 O ATOM 1172 CB GLU A 72 -39.389 22.271 -23.521 1.00 0.00 C ATOM 1173 CG GLU A 72 -39.491 20.926 -24.223 1.00 0.00 C ATOM 1174 CD GLU A 72 -40.626 20.887 -25.225 1.00 0.00 C ATOM 1175 OE1 GLU A 72 -40.412 21.270 -26.396 1.00 0.00 O ATOM 1176 OE2 GLU A 72 -41.745 20.479 -24.847 1.00 0.00 O ATOM 0 H GLU A 72 -37.085 21.234 -23.782 1.00 0.00 H new ATOM 0 HA GLU A 72 -38.183 23.383 -22.143 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -40.344 22.493 -23.045 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -39.218 23.046 -24.268 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -38.552 20.712 -24.733 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -39.637 20.141 -23.481 1.00 0.00 H new ATOM 1183 N ASP A 73 -37.686 20.726 -20.783 1.00 0.00 N ATOM 1184 CA ASP A 73 -37.855 19.903 -19.593 1.00 0.00 C ATOM 1185 C ASP A 73 -38.155 20.764 -18.375 1.00 0.00 C ATOM 1186 O ASP A 73 -37.327 21.570 -17.946 1.00 0.00 O ATOM 1187 CB ASP A 73 -36.599 19.067 -19.327 1.00 0.00 C ATOM 1188 CG ASP A 73 -36.399 17.962 -20.342 1.00 0.00 C ATOM 1189 OD1 ASP A 73 -36.046 18.265 -21.500 1.00 0.00 O ATOM 1190 OD2 ASP A 73 -36.586 16.782 -19.985 1.00 0.00 O ATOM 0 H ASP A 73 -36.767 20.645 -21.217 1.00 0.00 H new ATOM 0 HA ASP A 73 -38.698 19.235 -19.772 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -35.726 19.720 -19.332 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -36.664 18.630 -18.330 1.00 0.00 H new ATOM 1195 N GLU A 74 -39.348 20.597 -17.829 1.00 0.00 N ATOM 1196 CA GLU A 74 -39.741 21.303 -16.619 1.00 0.00 C ATOM 1197 C GLU A 74 -39.299 20.536 -15.382 1.00 0.00 C ATOM 1198 O GLU A 74 -39.455 21.005 -14.252 1.00 0.00 O ATOM 1199 CB GLU A 74 -41.255 21.505 -16.587 1.00 0.00 C ATOM 1200 CG GLU A 74 -42.043 20.212 -16.715 1.00 0.00 C ATOM 1201 CD GLU A 74 -43.517 20.391 -16.420 1.00 0.00 C ATOM 1202 OE1 GLU A 74 -44.283 20.707 -17.353 1.00 0.00 O ATOM 1203 OE2 GLU A 74 -43.916 20.212 -15.248 1.00 0.00 O ATOM 0 H GLU A 74 -40.064 19.976 -18.206 1.00 0.00 H new ATOM 0 HA GLU A 74 -39.252 22.277 -16.622 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -41.528 21.996 -15.653 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -41.541 22.177 -17.396 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -41.924 19.818 -17.724 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -41.628 19.470 -16.033 1.00 0.00 H new ATOM 1210 N ASN A 75 -38.755 19.350 -15.608 1.00 0.00 N ATOM 1211 CA ASN A 75 -38.326 18.470 -14.528 1.00 0.00 C ATOM 1212 C ASN A 75 -37.245 19.132 -13.685 1.00 0.00 C ATOM 1213 O ASN A 75 -37.325 19.151 -12.458 1.00 0.00 O ATOM 1214 CB ASN A 75 -37.798 17.144 -15.092 1.00 0.00 C ATOM 1215 CG ASN A 75 -38.859 16.337 -15.820 1.00 0.00 C ATOM 1216 OD1 ASN A 75 -39.775 16.890 -16.432 1.00 0.00 O ATOM 1217 ND2 ASN A 75 -38.742 15.022 -15.763 1.00 0.00 N ATOM 0 H ASN A 75 -38.598 18.970 -16.541 1.00 0.00 H new ATOM 0 HA ASN A 75 -39.192 18.271 -13.896 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -36.975 17.350 -15.776 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -37.392 16.546 -14.276 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -39.424 14.428 -16.236 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -37.970 14.601 -15.246 1.00 0.00 H new ATOM 1224 N CYS A 76 -36.251 19.695 -14.351 1.00 0.00 N ATOM 1225 CA CYS A 76 -35.115 20.291 -13.667 1.00 0.00 C ATOM 1226 C CYS A 76 -35.248 21.808 -13.618 1.00 0.00 C ATOM 1227 O CYS A 76 -35.758 22.425 -14.557 1.00 0.00 O ATOM 1228 CB CYS A 76 -33.824 19.902 -14.384 1.00 0.00 C ATOM 1229 SG CYS A 76 -33.822 20.305 -16.148 1.00 0.00 S ATOM 0 H CYS A 76 -36.208 19.752 -15.368 1.00 0.00 H new ATOM 0 HA CYS A 76 -35.089 19.918 -12.643 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -32.986 20.407 -13.904 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -33.661 18.831 -14.265 1.00 0.00 H new ATOM 0 HG CYS A 76 -32.690 19.943 -16.675 1.00 0.00 H new ATOM 1235 N ASN A 77 -34.811 22.404 -12.520 1.00 0.00 N ATOM 1236 CA ASN A 77 -34.820 23.852 -12.387 1.00 0.00 C ATOM 1237 C ASN A 77 -33.466 24.425 -12.779 1.00 0.00 C ATOM 1238 O ASN A 77 -32.483 24.292 -12.047 1.00 0.00 O ATOM 1239 CB ASN A 77 -35.165 24.269 -10.953 1.00 0.00 C ATOM 1240 CG ASN A 77 -35.195 25.779 -10.774 1.00 0.00 C ATOM 1241 OD1 ASN A 77 -34.188 26.401 -10.442 1.00 0.00 O ATOM 1242 ND2 ASN A 77 -36.356 26.375 -10.993 1.00 0.00 N ATOM 0 H ASN A 77 -34.445 21.907 -11.708 1.00 0.00 H new ATOM 0 HA ASN A 77 -35.585 24.248 -13.055 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -36.136 23.855 -10.682 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -34.434 23.840 -10.268 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -36.438 27.386 -10.888 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -37.169 25.823 -11.267 1.00 0.00 H new ATOM 1249 N ASN A 78 -33.398 25.017 -13.956 1.00 0.00 N ATOM 1250 CA ASN A 78 -32.193 25.706 -14.377 1.00 0.00 C ATOM 1251 C ASN A 78 -32.153 27.100 -13.765 1.00 0.00 C ATOM 1252 O ASN A 78 -32.867 28.002 -14.202 1.00 0.00 O ATOM 1253 CB ASN A 78 -32.090 25.772 -15.907 1.00 0.00 C ATOM 1254 CG ASN A 78 -33.415 26.059 -16.597 1.00 0.00 C ATOM 1255 OD1 ASN A 78 -34.131 25.141 -16.995 1.00 0.00 O ATOM 1256 ND2 ASN A 78 -33.762 27.327 -16.730 1.00 0.00 N ATOM 0 H ASN A 78 -34.159 25.035 -14.635 1.00 0.00 H new ATOM 0 HA ASN A 78 -31.331 25.141 -14.021 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -31.373 26.546 -16.181 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -31.695 24.826 -16.277 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -34.648 27.569 -17.174 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -33.144 28.063 -16.389 1.00 0.00 H new ATOM 1263 N LEU A 79 -31.328 27.252 -12.729 1.00 0.00 N ATOM 1264 CA LEU A 79 -31.208 28.512 -12.005 1.00 0.00 C ATOM 1265 C LEU A 79 -30.930 29.662 -12.966 1.00 0.00 C ATOM 1266 O LEU A 79 -31.729 30.588 -13.090 1.00 0.00 O ATOM 1267 CB LEU A 79 -30.093 28.413 -10.958 1.00 0.00 C ATOM 1268 CG LEU A 79 -29.937 29.636 -10.050 1.00 0.00 C ATOM 1269 CD1 LEU A 79 -31.202 29.869 -9.236 1.00 0.00 C ATOM 1270 CD2 LEU A 79 -28.738 29.465 -9.132 1.00 0.00 C ATOM 0 H LEU A 79 -30.728 26.508 -12.372 1.00 0.00 H new ATOM 0 HA LEU A 79 -32.152 28.711 -11.498 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -30.280 27.539 -10.334 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -29.148 28.241 -11.473 1.00 0.00 H new ATOM 0 HG LEU A 79 -29.771 30.510 -10.679 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -31.068 30.743 -8.598 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -32.042 30.036 -9.910 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -31.402 28.995 -8.616 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -28.641 30.343 -8.493 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -28.877 28.579 -8.513 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -27.835 29.351 -9.731 1.00 0.00 H new ATOM 1282 N LEU A 80 -29.804 29.587 -13.657 1.00 0.00 N ATOM 1283 CA LEU A 80 -29.485 30.570 -14.677 1.00 0.00 C ATOM 1284 C LEU A 80 -30.138 30.172 -15.994 1.00 0.00 C ATOM 1285 O LEU A 80 -29.544 29.467 -16.810 1.00 0.00 O ATOM 1286 CB LEU A 80 -27.967 30.715 -14.859 1.00 0.00 C ATOM 1287 CG LEU A 80 -27.251 31.642 -13.867 1.00 0.00 C ATOM 1288 CD1 LEU A 80 -27.723 33.074 -14.037 1.00 0.00 C ATOM 1289 CD2 LEU A 80 -27.458 31.181 -12.433 1.00 0.00 C ATOM 0 H LEU A 80 -29.100 28.860 -13.531 1.00 0.00 H new ATOM 0 HA LEU A 80 -29.874 31.536 -14.356 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -27.517 29.725 -14.788 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -27.776 31.080 -15.868 1.00 0.00 H new ATOM 0 HG LEU A 80 -26.183 31.599 -14.083 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -27.204 33.715 -13.325 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -27.508 33.410 -15.051 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -28.797 33.127 -13.857 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -26.939 31.858 -11.755 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -28.523 31.181 -12.201 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -27.061 30.173 -12.314 1.00 0.00 H new ATOM 1301 N GLU A 81 -31.377 30.594 -16.181 1.00 0.00 N ATOM 1302 CA GLU A 81 -32.108 30.264 -17.391 1.00 0.00 C ATOM 1303 C GLU A 81 -31.533 31.008 -18.590 1.00 0.00 C ATOM 1304 O GLU A 81 -31.340 32.222 -18.562 1.00 0.00 O ATOM 1305 CB GLU A 81 -33.600 30.558 -17.219 1.00 0.00 C ATOM 1306 CG GLU A 81 -33.911 31.963 -16.734 1.00 0.00 C ATOM 1307 CD GLU A 81 -35.395 32.185 -16.540 1.00 0.00 C ATOM 1308 OE1 GLU A 81 -36.149 32.057 -17.523 1.00 0.00 O ATOM 1309 OE2 GLU A 81 -35.818 32.472 -15.402 1.00 0.00 O ATOM 0 H GLU A 81 -31.896 31.164 -15.513 1.00 0.00 H new ATOM 0 HA GLU A 81 -31.997 29.196 -17.578 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -34.102 30.397 -18.173 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -34.020 29.842 -16.513 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -33.392 32.144 -15.793 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -33.528 32.687 -17.453 1.00 0.00 H new ATOM 1316 N GLY A 82 -31.243 30.246 -19.635 1.00 0.00 N ATOM 1317 CA GLY A 82 -30.596 30.794 -20.811 1.00 0.00 C ATOM 1318 C GLY A 82 -29.100 30.556 -20.779 1.00 0.00 C ATOM 1319 O GLY A 82 -28.406 30.745 -21.777 1.00 0.00 O ATOM 0 H GLY A 82 -31.447 29.248 -19.689 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -31.019 30.339 -21.707 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -30.795 31.864 -20.872 1.00 0.00 H new ATOM 1323 N TYR A 83 -28.617 30.090 -19.636 1.00 0.00 N ATOM 1324 CA TYR A 83 -27.207 29.787 -19.450 1.00 0.00 C ATOM 1325 C TYR A 83 -27.013 28.303 -19.162 1.00 0.00 C ATOM 1326 O TYR A 83 -27.982 27.577 -18.936 1.00 0.00 O ATOM 1327 CB TYR A 83 -26.635 30.604 -18.286 1.00 0.00 C ATOM 1328 CG TYR A 83 -26.324 32.048 -18.612 1.00 0.00 C ATOM 1329 CD1 TYR A 83 -27.329 32.998 -18.732 1.00 0.00 C ATOM 1330 CD2 TYR A 83 -25.010 32.459 -18.788 1.00 0.00 C ATOM 1331 CE1 TYR A 83 -27.034 34.317 -19.023 1.00 0.00 C ATOM 1332 CE2 TYR A 83 -24.706 33.773 -19.075 1.00 0.00 C ATOM 1333 CZ TYR A 83 -25.719 34.698 -19.192 1.00 0.00 C ATOM 1334 OH TYR A 83 -25.412 36.008 -19.478 1.00 0.00 O ATOM 0 H TYR A 83 -29.192 29.912 -18.813 1.00 0.00 H new ATOM 0 HA TYR A 83 -26.682 30.047 -20.369 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -27.346 30.578 -17.460 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -25.722 30.121 -17.937 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -28.359 32.702 -18.596 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -24.212 31.737 -18.699 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -27.827 35.044 -19.117 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -23.678 34.075 -19.207 1.00 0.00 H new ATOM 0 HH TYR A 83 -24.441 36.105 -19.564 1.00 0.00 H new ATOM 1344 N HIS A 84 -25.763 27.863 -19.211 1.00 0.00 N ATOM 1345 CA HIS A 84 -25.387 26.511 -18.802 1.00 0.00 C ATOM 1346 C HIS A 84 -24.186 26.576 -17.878 1.00 0.00 C ATOM 1347 O HIS A 84 -23.340 27.461 -18.013 1.00 0.00 O ATOM 1348 CB HIS A 84 -25.019 25.626 -19.993 1.00 0.00 C ATOM 1349 CG HIS A 84 -26.165 25.199 -20.843 1.00 0.00 C ATOM 1350 ND1 HIS A 84 -26.264 23.948 -21.414 1.00 0.00 N ATOM 1351 CD2 HIS A 84 -27.215 25.906 -21.307 1.00 0.00 C ATOM 1352 CE1 HIS A 84 -27.340 23.950 -22.206 1.00 0.00 C ATOM 1353 NE2 HIS A 84 -27.942 25.119 -22.171 1.00 0.00 N ATOM 0 H HIS A 84 -24.980 28.430 -19.535 1.00 0.00 H new ATOM 0 HA HIS A 84 -26.252 26.077 -18.300 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -24.304 26.163 -20.617 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -24.512 24.736 -19.621 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -25.631 23.163 -21.260 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -27.448 26.927 -21.043 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -27.670 23.107 -22.795 1.00 0.00 H new ATOM 1361 N PRO A 85 -24.094 25.642 -16.935 1.00 0.00 N ATOM 1362 CA PRO A 85 -22.957 25.561 -16.033 1.00 0.00 C ATOM 1363 C PRO A 85 -21.737 24.956 -16.721 1.00 0.00 C ATOM 1364 O PRO A 85 -21.852 23.977 -17.463 1.00 0.00 O ATOM 1365 CB PRO A 85 -23.458 24.651 -14.911 1.00 0.00 C ATOM 1366 CG PRO A 85 -24.517 23.802 -15.536 1.00 0.00 C ATOM 1367 CD PRO A 85 -25.094 24.590 -16.684 1.00 0.00 C ATOM 0 HA PRO A 85 -22.633 26.540 -15.680 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -22.650 24.040 -14.510 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -23.859 25.233 -14.082 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -24.098 22.859 -15.888 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -25.292 23.555 -14.810 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -25.243 23.963 -17.563 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -26.064 25.015 -16.428 1.00 0.00 H new ATOM 1375 N LYS A 86 -20.576 25.549 -16.488 1.00 0.00 N ATOM 1376 CA LYS A 86 -19.333 25.034 -17.037 1.00 0.00 C ATOM 1377 C LYS A 86 -18.240 25.071 -15.984 1.00 0.00 C ATOM 1378 O LYS A 86 -18.101 26.048 -15.245 1.00 0.00 O ATOM 1379 CB LYS A 86 -18.901 25.836 -18.269 1.00 0.00 C ATOM 1380 CG LYS A 86 -17.676 25.260 -18.965 1.00 0.00 C ATOM 1381 CD LYS A 86 -17.285 26.064 -20.199 1.00 0.00 C ATOM 1382 CE LYS A 86 -16.840 27.473 -19.839 1.00 0.00 C ATOM 1383 NZ LYS A 86 -16.371 28.232 -21.031 1.00 0.00 N ATOM 0 H LYS A 86 -20.470 26.390 -15.920 1.00 0.00 H new ATOM 0 HA LYS A 86 -19.501 24.001 -17.343 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -19.728 25.874 -18.978 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -18.691 26.863 -17.970 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -16.839 25.239 -18.267 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -17.876 24.228 -19.254 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -16.480 25.552 -20.726 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -18.132 26.114 -20.883 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -17.668 28.007 -19.372 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -16.038 27.423 -19.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -16.077 29.187 -20.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -15.564 27.737 -21.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -17.144 28.303 -21.723 1.00 0.00 H new ATOM 1397 N LEU A 87 -17.490 23.985 -15.909 1.00 0.00 N ATOM 1398 CA LEU A 87 -16.374 23.867 -14.990 1.00 0.00 C ATOM 1399 C LEU A 87 -15.256 24.820 -15.389 1.00 0.00 C ATOM 1400 O LEU A 87 -14.862 24.867 -16.553 1.00 0.00 O ATOM 1401 CB LEU A 87 -15.870 22.426 -15.012 1.00 0.00 C ATOM 1402 CG LEU A 87 -15.853 21.705 -13.668 1.00 0.00 C ATOM 1403 CD1 LEU A 87 -17.141 21.957 -12.903 1.00 0.00 C ATOM 1404 CD2 LEU A 87 -15.658 20.218 -13.901 1.00 0.00 C ATOM 0 H LEU A 87 -17.640 23.158 -16.487 1.00 0.00 H new ATOM 0 HA LEU A 87 -16.700 24.129 -13.983 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -16.492 21.855 -15.701 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -14.858 22.422 -15.417 1.00 0.00 H new ATOM 0 HG LEU A 87 -15.028 22.090 -13.068 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -17.106 21.433 -11.948 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -17.256 23.026 -12.726 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -17.987 21.593 -13.485 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -15.645 19.698 -12.943 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -16.476 19.835 -14.511 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -14.712 20.051 -14.417 1.00 0.00 H new ATOM 1416 N VAL A 88 -14.763 25.586 -14.428 1.00 0.00 N ATOM 1417 CA VAL A 88 -13.686 26.531 -14.688 1.00 0.00 C ATOM 1418 C VAL A 88 -12.572 26.379 -13.663 1.00 0.00 C ATOM 1419 O VAL A 88 -12.816 26.016 -12.512 1.00 0.00 O ATOM 1420 CB VAL A 88 -14.179 27.997 -14.670 1.00 0.00 C ATOM 1421 CG1 VAL A 88 -15.260 28.217 -15.711 1.00 0.00 C ATOM 1422 CG2 VAL A 88 -14.686 28.393 -13.291 1.00 0.00 C ATOM 0 H VAL A 88 -15.090 25.573 -13.462 1.00 0.00 H new ATOM 0 HA VAL A 88 -13.310 26.301 -15.685 1.00 0.00 H new ATOM 0 HB VAL A 88 -13.328 28.632 -14.914 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -15.590 29.255 -15.679 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -14.863 27.993 -16.701 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -16.105 27.561 -15.502 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -15.025 29.429 -13.312 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -15.516 27.745 -13.008 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -13.881 28.289 -12.564 1.00 0.00 H new ATOM 1432 N VAL A 89 -11.349 26.647 -14.087 1.00 0.00 N ATOM 1433 CA VAL A 89 -10.224 26.675 -13.173 1.00 0.00 C ATOM 1434 C VAL A 89 -9.934 28.116 -12.763 1.00 0.00 C ATOM 1435 O VAL A 89 -9.596 28.957 -13.597 1.00 0.00 O ATOM 1436 CB VAL A 89 -8.957 26.012 -13.786 1.00 0.00 C ATOM 1437 CG1 VAL A 89 -8.627 26.604 -15.151 1.00 0.00 C ATOM 1438 CG2 VAL A 89 -7.767 26.144 -12.840 1.00 0.00 C ATOM 0 H VAL A 89 -11.111 26.848 -15.058 1.00 0.00 H new ATOM 0 HA VAL A 89 -10.491 26.093 -12.291 1.00 0.00 H new ATOM 0 HB VAL A 89 -9.171 24.952 -13.925 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -7.737 26.119 -15.552 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -9.465 26.443 -15.830 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -8.443 27.674 -15.049 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.892 25.674 -13.288 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.560 27.199 -12.661 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -7.998 25.654 -11.894 1.00 0.00 H new ATOM 1448 N ASN A 90 -10.117 28.406 -11.483 1.00 0.00 N ATOM 1449 CA ASN A 90 -9.883 29.743 -10.957 1.00 0.00 C ATOM 1450 C ASN A 90 -8.775 29.718 -9.917 1.00 0.00 C ATOM 1451 O ASN A 90 -9.009 29.390 -8.748 1.00 0.00 O ATOM 1452 CB ASN A 90 -11.157 30.331 -10.340 1.00 0.00 C ATOM 1453 CG ASN A 90 -12.127 30.873 -11.373 1.00 0.00 C ATOM 1454 OD1 ASN A 90 -11.728 31.313 -12.454 1.00 0.00 O ATOM 1455 ND2 ASN A 90 -13.409 30.858 -11.043 1.00 0.00 N ATOM 0 H ASN A 90 -10.429 27.729 -10.786 1.00 0.00 H new ATOM 0 HA ASN A 90 -9.581 30.377 -11.791 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -11.656 29.562 -9.751 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -10.884 31.132 -9.653 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -14.107 31.219 -11.693 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -13.699 30.485 -10.139 1.00 0.00 H new ATOM 1462 N GLY A 91 -7.568 30.030 -10.363 1.00 0.00 N ATOM 1463 CA GLY A 91 -6.425 30.101 -9.477 1.00 0.00 C ATOM 1464 C GLY A 91 -6.088 28.766 -8.844 1.00 0.00 C ATOM 1465 O GLY A 91 -5.479 27.903 -9.475 1.00 0.00 O ATOM 0 H GLY A 91 -7.358 30.238 -11.339 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -5.561 30.462 -10.035 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.625 30.830 -8.692 1.00 0.00 H new ATOM 1469 N ARG A 92 -6.504 28.597 -7.597 1.00 0.00 N ATOM 1470 CA ARG A 92 -6.194 27.394 -6.831 1.00 0.00 C ATOM 1471 C ARG A 92 -7.438 26.562 -6.560 1.00 0.00 C ATOM 1472 O ARG A 92 -7.433 25.667 -5.718 1.00 0.00 O ATOM 1473 CB ARG A 92 -5.500 27.757 -5.525 1.00 0.00 C ATOM 1474 CG ARG A 92 -5.957 29.072 -4.941 1.00 0.00 C ATOM 1475 CD ARG A 92 -7.445 29.067 -4.641 1.00 0.00 C ATOM 1476 NE ARG A 92 -7.837 30.160 -3.750 1.00 0.00 N ATOM 1477 CZ ARG A 92 -9.091 30.594 -3.589 1.00 0.00 C ATOM 1478 NH1 ARG A 92 -10.084 30.076 -4.298 1.00 0.00 N ATOM 1479 NH2 ARG A 92 -9.344 31.571 -2.728 1.00 0.00 N ATOM 0 H ARG A 92 -7.062 29.283 -7.089 1.00 0.00 H new ATOM 0 HA ARG A 92 -5.517 26.787 -7.433 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -5.677 26.965 -4.797 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -4.424 27.799 -5.695 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -5.402 29.276 -4.025 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -5.729 29.878 -5.638 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -8.002 29.145 -5.575 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -7.718 28.115 -4.186 1.00 0.00 H new ATOM 0 HE ARG A 92 -7.102 30.623 -3.215 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -9.896 29.337 -4.976 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -11.037 30.416 -4.166 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -8.583 31.988 -2.192 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -10.299 31.905 -2.602 1.00 0.00 H new ATOM 1493 N SER A 93 -8.496 26.857 -7.286 1.00 0.00 N ATOM 1494 CA SER A 93 -9.770 26.200 -7.065 1.00 0.00 C ATOM 1495 C SER A 93 -10.518 25.967 -8.373 1.00 0.00 C ATOM 1496 O SER A 93 -10.374 26.727 -9.330 1.00 0.00 O ATOM 1497 CB SER A 93 -10.610 27.049 -6.114 1.00 0.00 C ATOM 1498 OG SER A 93 -10.455 28.427 -6.413 1.00 0.00 O ATOM 0 H SER A 93 -8.500 27.548 -8.036 1.00 0.00 H new ATOM 0 HA SER A 93 -9.584 25.221 -6.622 1.00 0.00 H new ATOM 0 HB2 SER A 93 -11.660 26.768 -6.197 1.00 0.00 H new ATOM 0 HB3 SER A 93 -10.309 26.858 -5.084 1.00 0.00 H new ATOM 0 HG SER A 93 -10.219 28.532 -7.358 1.00 0.00 H new ATOM 1504 N ILE A 94 -11.296 24.895 -8.409 1.00 0.00 N ATOM 1505 CA ILE A 94 -12.157 24.608 -9.543 1.00 0.00 C ATOM 1506 C ILE A 94 -13.570 25.072 -9.213 1.00 0.00 C ATOM 1507 O ILE A 94 -14.082 24.790 -8.129 1.00 0.00 O ATOM 1508 CB ILE A 94 -12.156 23.102 -9.884 1.00 0.00 C ATOM 1509 CG1 ILE A 94 -10.718 22.621 -10.103 1.00 0.00 C ATOM 1510 CG2 ILE A 94 -13.007 22.834 -11.119 1.00 0.00 C ATOM 1511 CD1 ILE A 94 -10.591 21.127 -10.300 1.00 0.00 C ATOM 0 H ILE A 94 -11.347 24.206 -7.659 1.00 0.00 H new ATOM 0 HA ILE A 94 -11.781 25.140 -10.417 1.00 0.00 H new ATOM 0 HB ILE A 94 -12.588 22.549 -9.050 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -10.305 23.128 -10.975 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -10.113 22.917 -9.246 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -12.995 21.768 -11.345 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -14.032 23.154 -10.931 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -12.604 23.389 -11.966 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -9.543 20.867 -10.449 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -10.972 20.610 -9.419 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -11.167 20.825 -11.175 1.00 0.00 H new ATOM 1523 N ASP A 95 -14.194 25.785 -10.134 1.00 0.00 N ATOM 1524 CA ASP A 95 -15.466 26.428 -9.852 1.00 0.00 C ATOM 1525 C ASP A 95 -16.458 26.164 -10.966 1.00 0.00 C ATOM 1526 O ASP A 95 -16.134 25.521 -11.967 1.00 0.00 O ATOM 1527 CB ASP A 95 -15.286 27.937 -9.695 1.00 0.00 C ATOM 1528 CG ASP A 95 -16.192 28.524 -8.627 1.00 0.00 C ATOM 1529 OD1 ASP A 95 -17.368 28.101 -8.529 1.00 0.00 O ATOM 1530 OD2 ASP A 95 -15.735 29.412 -7.883 1.00 0.00 O ATOM 0 H ASP A 95 -13.843 25.933 -11.080 1.00 0.00 H new ATOM 0 HA ASP A 95 -15.847 26.010 -8.920 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -14.247 28.151 -9.443 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -15.490 28.425 -10.648 1.00 0.00 H new ATOM 1535 N ILE A 96 -17.659 26.677 -10.789 1.00 0.00 N ATOM 1536 CA ILE A 96 -18.720 26.518 -11.764 1.00 0.00 C ATOM 1537 C ILE A 96 -19.179 27.878 -12.273 1.00 0.00 C ATOM 1538 O ILE A 96 -19.719 28.687 -11.513 1.00 0.00 O ATOM 1539 CB ILE A 96 -19.914 25.771 -11.146 1.00 0.00 C ATOM 1540 CG1 ILE A 96 -19.444 24.443 -10.554 1.00 0.00 C ATOM 1541 CG2 ILE A 96 -20.998 25.538 -12.190 1.00 0.00 C ATOM 1542 CD1 ILE A 96 -20.416 23.846 -9.570 1.00 0.00 C ATOM 0 H ILE A 96 -17.927 27.216 -9.966 1.00 0.00 H new ATOM 0 HA ILE A 96 -18.330 25.935 -12.598 1.00 0.00 H new ATOM 0 HB ILE A 96 -20.338 26.382 -10.349 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -19.276 23.733 -11.363 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -18.485 24.594 -10.059 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -21.834 25.008 -11.734 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -21.343 26.497 -12.576 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -20.593 24.942 -13.008 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -20.018 22.905 -9.190 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -20.565 24.538 -8.741 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -21.369 23.663 -10.066 1.00 0.00 H new ATOM 1554 N GLU A 97 -18.940 28.133 -13.546 1.00 0.00 N ATOM 1555 CA GLU A 97 -19.392 29.359 -14.187 1.00 0.00 C ATOM 1556 C GLU A 97 -20.582 29.072 -15.085 1.00 0.00 C ATOM 1557 O GLU A 97 -21.019 27.928 -15.209 1.00 0.00 O ATOM 1558 CB GLU A 97 -18.263 29.991 -15.002 1.00 0.00 C ATOM 1559 CG GLU A 97 -17.425 30.987 -14.217 1.00 0.00 C ATOM 1560 CD GLU A 97 -18.193 32.250 -13.892 1.00 0.00 C ATOM 1561 OE1 GLU A 97 -18.691 32.898 -14.833 1.00 0.00 O ATOM 1562 OE2 GLU A 97 -18.294 32.610 -12.698 1.00 0.00 O ATOM 0 H GLU A 97 -18.430 27.502 -14.164 1.00 0.00 H new ATOM 0 HA GLU A 97 -19.693 30.061 -13.410 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -17.613 29.201 -15.379 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -18.691 30.494 -15.869 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -17.084 30.523 -13.292 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -16.535 31.243 -14.792 1.00 0.00 H new ATOM 1569 N TYR A 98 -21.104 30.113 -15.701 1.00 0.00 N ATOM 1570 CA TYR A 98 -22.231 29.974 -16.601 1.00 0.00 C ATOM 1571 C TYR A 98 -21.929 30.622 -17.941 1.00 0.00 C ATOM 1572 O TYR A 98 -21.485 31.770 -18.001 1.00 0.00 O ATOM 1573 CB TYR A 98 -23.486 30.599 -15.991 1.00 0.00 C ATOM 1574 CG TYR A 98 -24.272 29.658 -15.109 1.00 0.00 C ATOM 1575 CD1 TYR A 98 -25.210 28.790 -15.652 1.00 0.00 C ATOM 1576 CD2 TYR A 98 -24.080 29.640 -13.736 1.00 0.00 C ATOM 1577 CE1 TYR A 98 -25.937 27.931 -14.848 1.00 0.00 C ATOM 1578 CE2 TYR A 98 -24.799 28.786 -12.926 1.00 0.00 C ATOM 1579 CZ TYR A 98 -25.726 27.933 -13.484 1.00 0.00 C ATOM 1580 OH TYR A 98 -26.453 27.092 -12.674 1.00 0.00 O ATOM 0 H TYR A 98 -20.764 31.069 -15.594 1.00 0.00 H new ATOM 0 HA TYR A 98 -22.409 28.910 -16.758 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -23.198 31.473 -15.407 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -24.132 30.952 -16.795 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -25.375 28.786 -16.719 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -23.355 30.306 -13.293 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -26.665 27.263 -15.285 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -24.636 28.786 -11.858 1.00 0.00 H new ATOM 0 HH TYR A 98 -25.985 26.235 -12.588 1.00 0.00 H new ATOM 1590 N TYR A 99 -22.150 29.873 -19.007 1.00 0.00 N ATOM 1591 CA TYR A 99 -22.013 30.410 -20.348 1.00 0.00 C ATOM 1592 C TYR A 99 -23.378 30.451 -21.016 1.00 0.00 C ATOM 1593 O TYR A 99 -24.260 29.648 -20.693 1.00 0.00 O ATOM 1594 CB TYR A 99 -21.020 29.592 -21.191 1.00 0.00 C ATOM 1595 CG TYR A 99 -21.430 28.155 -21.449 1.00 0.00 C ATOM 1596 CD1 TYR A 99 -22.211 27.821 -22.550 1.00 0.00 C ATOM 1597 CD2 TYR A 99 -21.026 27.133 -20.603 1.00 0.00 C ATOM 1598 CE1 TYR A 99 -22.577 26.512 -22.798 1.00 0.00 C ATOM 1599 CE2 TYR A 99 -21.388 25.821 -20.841 1.00 0.00 C ATOM 1600 CZ TYR A 99 -22.163 25.515 -21.940 1.00 0.00 C ATOM 1601 OH TYR A 99 -22.519 24.206 -22.184 1.00 0.00 O ATOM 0 H TYR A 99 -22.425 28.891 -18.969 1.00 0.00 H new ATOM 0 HA TYR A 99 -21.612 31.421 -20.275 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -20.882 30.092 -22.150 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -20.053 29.593 -20.689 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -22.538 28.599 -23.224 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -20.417 27.367 -19.742 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -23.184 26.271 -23.658 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -21.066 25.039 -20.170 1.00 0.00 H new ATOM 0 HH TYR A 99 -22.145 23.630 -21.485 1.00 0.00 H new ATOM 1611 N GLU A 100 -23.557 31.396 -21.920 1.00 0.00 N ATOM 1612 CA GLU A 100 -24.822 31.556 -22.611 1.00 0.00 C ATOM 1613 C GLU A 100 -25.106 30.345 -23.483 1.00 0.00 C ATOM 1614 O GLU A 100 -24.237 29.909 -24.240 1.00 0.00 O ATOM 1615 CB GLU A 100 -24.792 32.817 -23.471 1.00 0.00 C ATOM 1616 CG GLU A 100 -24.497 34.083 -22.686 1.00 0.00 C ATOM 1617 CD GLU A 100 -24.316 35.287 -23.581 1.00 0.00 C ATOM 1618 OE1 GLU A 100 -25.328 35.928 -23.930 1.00 0.00 O ATOM 1619 OE2 GLU A 100 -23.163 35.589 -23.954 1.00 0.00 O ATOM 0 H GLU A 100 -22.839 32.067 -22.193 1.00 0.00 H new ATOM 0 HA GLU A 100 -25.614 31.648 -21.868 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -24.038 32.698 -24.249 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -25.753 32.927 -23.973 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -25.312 34.272 -21.987 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -23.595 33.937 -22.092 1.00 0.00 H new ATOM 1626 N CYS A 101 -26.309 29.789 -23.350 1.00 0.00 N ATOM 1627 CA CYS A 101 -26.758 28.704 -24.223 1.00 0.00 C ATOM 1628 C CYS A 101 -26.421 29.035 -25.675 1.00 0.00 C ATOM 1629 O CYS A 101 -26.853 30.065 -26.193 1.00 0.00 O ATOM 1630 CB CYS A 101 -28.272 28.518 -24.082 1.00 0.00 C ATOM 1631 SG CYS A 101 -28.951 27.047 -24.922 1.00 0.00 S ATOM 0 H CYS A 101 -26.991 30.072 -22.646 1.00 0.00 H new ATOM 0 HA CYS A 101 -26.251 27.783 -23.934 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -28.518 28.458 -23.022 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -28.770 29.404 -24.475 1.00 0.00 H new ATOM 0 HG CYS A 101 -28.750 25.995 -24.185 1.00 0.00 H new ATOM 1636 N PRO A 102 -25.652 28.165 -26.353 1.00 0.00 N ATOM 1637 CA PRO A 102 -25.221 28.394 -27.739 1.00 0.00 C ATOM 1638 C PRO A 102 -26.406 28.589 -28.677 1.00 0.00 C ATOM 1639 O PRO A 102 -26.325 29.325 -29.653 1.00 0.00 O ATOM 1640 CB PRO A 102 -24.442 27.124 -28.106 1.00 0.00 C ATOM 1641 CG PRO A 102 -24.802 26.119 -27.064 1.00 0.00 C ATOM 1642 CD PRO A 102 -25.122 26.900 -25.821 1.00 0.00 C ATOM 0 HA PRO A 102 -24.624 29.301 -27.833 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -24.713 26.771 -29.101 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -23.368 27.312 -28.116 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -25.657 25.521 -27.379 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -23.977 25.428 -26.888 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -25.854 26.386 -25.198 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -24.237 27.060 -25.206 1.00 0.00 H new ATOM 1650 N VAL A 103 -27.517 27.952 -28.337 1.00 0.00 N ATOM 1651 CA VAL A 103 -28.729 28.010 -29.141 1.00 0.00 C ATOM 1652 C VAL A 103 -29.327 29.419 -29.147 1.00 0.00 C ATOM 1653 O VAL A 103 -30.006 29.805 -30.095 1.00 0.00 O ATOM 1654 CB VAL A 103 -29.787 27.017 -28.612 1.00 0.00 C ATOM 1655 CG1 VAL A 103 -30.955 26.894 -29.577 1.00 0.00 C ATOM 1656 CG2 VAL A 103 -29.164 25.655 -28.344 1.00 0.00 C ATOM 0 H VAL A 103 -27.604 27.381 -27.496 1.00 0.00 H new ATOM 0 HA VAL A 103 -28.451 27.738 -30.159 1.00 0.00 H new ATOM 0 HB VAL A 103 -30.170 27.409 -27.670 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -31.684 26.188 -29.178 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -31.426 27.869 -29.704 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -30.594 26.537 -30.541 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -29.928 24.972 -27.972 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -28.743 25.259 -29.268 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -28.374 25.756 -27.599 1.00 0.00 H new ATOM 1666 N LYS A 104 -29.040 30.194 -28.100 1.00 0.00 N ATOM 1667 CA LYS A 104 -29.654 31.511 -27.937 1.00 0.00 C ATOM 1668 C LYS A 104 -29.294 32.442 -29.092 1.00 0.00 C ATOM 1669 O LYS A 104 -30.099 33.280 -29.496 1.00 0.00 O ATOM 1670 CB LYS A 104 -29.254 32.156 -26.605 1.00 0.00 C ATOM 1671 CG LYS A 104 -30.033 33.432 -26.307 1.00 0.00 C ATOM 1672 CD LYS A 104 -29.610 34.094 -25.004 1.00 0.00 C ATOM 1673 CE LYS A 104 -28.174 34.589 -25.056 1.00 0.00 C ATOM 1674 NZ LYS A 104 -27.941 35.710 -24.108 1.00 0.00 N ATOM 0 H LYS A 104 -28.391 29.934 -27.357 1.00 0.00 H new ATOM 0 HA LYS A 104 -30.733 31.358 -27.938 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -29.415 31.441 -25.798 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -28.188 32.383 -26.622 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -29.895 34.136 -27.128 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -31.097 33.200 -26.262 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -30.274 34.931 -24.791 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -29.719 33.384 -24.185 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -27.498 33.767 -24.820 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -27.939 34.915 -26.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -26.952 35.692 -23.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -28.133 36.614 -24.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -28.574 35.609 -23.289 1.00 0.00 H new