USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=27 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= -2.98! C(o=-7.9!,f=-16!) USER MOD Set 1.2: A 67 CYS SG : rot -38:sc= -0.461 USER MOD Set 1.3: A 70 CYS SG : rot -9:sc= -1.42! USER MOD Set 1.4: A 71 SER OG : rot 180:sc= 0 USER MOD Set 1.5: A 84 HIS :FLIP no HD1:sc= -0.557 F(o=-10,f=-7.9) USER MOD Set 1.6: A 101 CYS SG : rot 134:sc= -2.49! USER MOD Set 2.1: A 64 SER OG : rot 45:sc= 0.465 USER MOD Set 2.2: A 78 ASN : amide:sc= -2.75! C(o=-2.3!,f=-7.1!) USER MOD Set 3.1: A 27 LYS NZ :NH3+ -173:sc= 1.44 (180deg=0.599) USER MOD Set 3.2: A 58 TYR OH : rot -110:sc= 0.928 USER MOD Single : A 18 GLN :FLIP amide:sc= -0.109 F(o=-1.2!,f=-0.11) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN :FLIP amide:sc= -0.236 F(o=-1.2,f=-0.24) USER MOD Single : A 24 MET CE :methyl -126:sc= -0.858 (180deg=-3.45!) USER MOD Single : A 25 LYS NZ :NH3+ -171:sc= -0.982 (180deg=-1.15) USER MOD Single : A 29 MET CE :methyl 136:sc= -0.764 (180deg=-3.1!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0.931 K(o=0.93,f=-0.17) USER MOD Single : A 35 GLN : amide:sc= 0.298 K(o=0.3,f=-0.49) USER MOD Single : A 39 LYS NZ :NH3+ -143:sc= 0.713 (180deg=-0.162) USER MOD Single : A 41 ASN : amide:sc= -0.0658 X(o=-0.066,f=-0.21) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl -135:sc= -0.485 (180deg=-2.66!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 84:sc= 2.02 USER MOD Single : A 55 ASN : amide:sc= -1.29 K(o=-1.3,f=-2.4!) USER MOD Single : A 56 LYS NZ :NH3+ -171:sc= 1.27 (180deg=1.19) USER MOD Single : A 60 TYR OH : rot 120:sc= -0.184 USER MOD Single : A 63 GLN : amide:sc= -3.12! C(o=-3.1!,f=-3.5!) USER MOD Single : A 65 LYS NZ :NH3+ -171:sc= 0.582 (180deg=0.176!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 30:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.0597 X(o=-0.06,f=0) USER MOD Single : A 76 CYS SG : rot 54:sc= 0.553 USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 83 TYR OH : rot -126:sc= 0.183 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ -172:sc=-0.000687 (180deg=-0.0837) USER MOD ----------------------------------------------------------------- ATOM 225 N ASP A 16 -20.735 3.321 5.317 1.00 0.00 N ATOM 226 CA ASP A 16 -21.406 3.879 4.148 1.00 0.00 C ATOM 227 C ASP A 16 -20.681 5.131 3.683 1.00 0.00 C ATOM 228 O ASP A 16 -20.709 5.462 2.503 1.00 0.00 O ATOM 229 CB ASP A 16 -22.876 4.211 4.443 1.00 0.00 C ATOM 230 CG ASP A 16 -23.058 5.525 5.183 1.00 0.00 C ATOM 231 OD1 ASP A 16 -22.680 5.598 6.371 1.00 0.00 O ATOM 232 OD2 ASP A 16 -23.589 6.484 4.582 1.00 0.00 O ATOM 0 HA ASP A 16 -21.383 3.126 3.361 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -23.428 4.251 3.504 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -23.312 3.406 5.034 1.00 0.00 H new ATOM 237 N PHE A 17 -20.012 5.805 4.622 1.00 0.00 N ATOM 238 CA PHE A 17 -19.290 7.045 4.340 1.00 0.00 C ATOM 239 C PHE A 17 -18.381 6.897 3.126 1.00 0.00 C ATOM 240 O PHE A 17 -18.411 7.724 2.213 1.00 0.00 O ATOM 241 CB PHE A 17 -18.462 7.464 5.558 1.00 0.00 C ATOM 242 CG PHE A 17 -17.732 8.769 5.375 1.00 0.00 C ATOM 243 CD1 PHE A 17 -18.384 9.975 5.580 1.00 0.00 C ATOM 244 CD2 PHE A 17 -16.397 8.790 4.996 1.00 0.00 C ATOM 245 CE1 PHE A 17 -17.719 11.176 5.412 1.00 0.00 C ATOM 246 CE2 PHE A 17 -15.728 9.988 4.825 1.00 0.00 C ATOM 247 CZ PHE A 17 -16.391 11.182 5.033 1.00 0.00 C ATOM 0 H PHE A 17 -19.957 5.506 5.596 1.00 0.00 H new ATOM 0 HA PHE A 17 -20.029 7.816 4.120 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -19.120 7.544 6.423 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -17.737 6.681 5.780 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -19.423 9.977 5.874 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -15.874 7.859 4.833 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -18.238 12.109 5.577 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -14.689 9.990 4.529 1.00 0.00 H new ATOM 0 HZ PHE A 17 -15.871 12.119 4.899 1.00 0.00 H new ATOM 257 N GLN A 18 -17.582 5.838 3.112 1.00 0.00 N ATOM 258 CA GLN A 18 -16.663 5.610 2.007 1.00 0.00 C ATOM 259 C GLN A 18 -17.427 5.325 0.723 1.00 0.00 C ATOM 260 O GLN A 18 -16.989 5.698 -0.354 1.00 0.00 O ATOM 261 CB GLN A 18 -15.698 4.461 2.300 1.00 0.00 C ATOM 262 CG GLN A 18 -16.378 3.125 2.553 1.00 0.00 C ATOM 263 CD GLN A 18 -15.456 1.939 2.342 1.00 0.00 C ATOM 264 OE1 GLN A 18 -14.619 2.006 1.317 1.00 0.00 O flip ATOM 265 NE2 GLN A 18 -15.539 0.941 3.057 1.00 0.00 N flip ATOM 0 H GLN A 18 -17.552 5.130 3.846 1.00 0.00 H new ATOM 0 HA GLN A 18 -16.078 6.521 1.883 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -15.013 4.354 1.459 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -15.096 4.720 3.171 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -16.758 3.105 3.574 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -17.239 3.031 1.891 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -16.195 0.926 3.838 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -14.951 0.129 2.869 1.00 0.00 H new ATOM 274 N LYS A 19 -18.577 4.674 0.841 1.00 0.00 N ATOM 275 CA LYS A 19 -19.376 4.340 -0.327 1.00 0.00 C ATOM 276 C LYS A 19 -20.072 5.567 -0.906 1.00 0.00 C ATOM 277 O LYS A 19 -20.310 5.629 -2.107 1.00 0.00 O ATOM 278 CB LYS A 19 -20.375 3.225 -0.007 1.00 0.00 C ATOM 279 CG LYS A 19 -19.692 1.890 0.238 1.00 0.00 C ATOM 280 CD LYS A 19 -18.706 1.578 -0.877 1.00 0.00 C ATOM 281 CE LYS A 19 -17.853 0.366 -0.555 1.00 0.00 C ATOM 282 NZ LYS A 19 -18.610 -0.905 -0.684 1.00 0.00 N ATOM 0 H LYS A 19 -18.974 4.369 1.729 1.00 0.00 H new ATOM 0 HA LYS A 19 -18.697 3.969 -1.095 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -20.954 3.501 0.874 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -21.080 3.124 -0.833 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -19.171 1.913 1.195 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -20.440 1.099 0.301 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -19.251 1.402 -1.805 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -18.062 2.441 -1.044 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -16.992 0.343 -1.222 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -17.467 0.455 0.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -17.987 -1.705 -0.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -19.418 -0.896 -0.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -18.957 -1.005 -1.659 1.00 0.00 H new ATOM 296 N ARG A 20 -20.389 6.547 -0.060 1.00 0.00 N ATOM 297 CA ARG A 20 -20.908 7.825 -0.550 1.00 0.00 C ATOM 298 C ARG A 20 -19.790 8.532 -1.289 1.00 0.00 C ATOM 299 O ARG A 20 -19.966 9.044 -2.394 1.00 0.00 O ATOM 300 CB ARG A 20 -21.382 8.735 0.592 1.00 0.00 C ATOM 301 CG ARG A 20 -21.965 8.003 1.780 1.00 0.00 C ATOM 302 CD ARG A 20 -23.223 7.230 1.419 1.00 0.00 C ATOM 303 NE ARG A 20 -24.318 8.111 1.020 1.00 0.00 N ATOM 304 CZ ARG A 20 -25.332 8.436 1.816 1.00 0.00 C ATOM 305 NH1 ARG A 20 -25.366 7.995 3.068 1.00 0.00 N ATOM 306 NH2 ARG A 20 -26.310 9.210 1.358 1.00 0.00 N ATOM 0 H ARG A 20 -20.298 6.484 0.954 1.00 0.00 H new ATOM 0 HA ARG A 20 -21.763 7.622 -1.195 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -20.540 9.339 0.931 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -22.132 9.424 0.203 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -21.221 7.315 2.181 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -22.195 8.719 2.569 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -23.001 6.538 0.606 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -23.535 6.629 2.273 1.00 0.00 H new ATOM 0 HE ARG A 20 -24.304 8.499 0.077 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -24.613 7.405 3.422 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -26.145 8.246 3.676 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -26.282 9.553 0.398 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -27.089 9.461 1.966 1.00 0.00 H new ATOM 320 N LEU A 21 -18.632 8.532 -0.643 1.00 0.00 N ATOM 321 CA LEU A 21 -17.414 9.101 -1.201 1.00 0.00 C ATOM 322 C LEU A 21 -17.088 8.480 -2.559 1.00 0.00 C ATOM 323 O LEU A 21 -16.844 9.193 -3.530 1.00 0.00 O ATOM 324 CB LEU A 21 -16.264 8.878 -0.210 1.00 0.00 C ATOM 325 CG LEU A 21 -14.849 9.092 -0.752 1.00 0.00 C ATOM 326 CD1 LEU A 21 -14.654 10.529 -1.216 1.00 0.00 C ATOM 327 CD2 LEU A 21 -13.824 8.734 0.312 1.00 0.00 C ATOM 0 H LEU A 21 -18.511 8.135 0.289 1.00 0.00 H new ATOM 0 HA LEU A 21 -17.557 10.170 -1.361 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -16.410 9.546 0.639 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -16.334 7.859 0.171 1.00 0.00 H new ATOM 0 HG LEU A 21 -14.708 8.439 -1.613 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -13.640 10.654 -1.596 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -15.369 10.756 -2.007 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -14.813 11.207 -0.377 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -12.820 8.889 -0.083 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -13.972 9.367 1.187 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -13.944 7.689 0.596 1.00 0.00 H new ATOM 339 N GLU A 22 -17.116 7.155 -2.624 1.00 0.00 N ATOM 340 CA GLU A 22 -16.877 6.437 -3.871 1.00 0.00 C ATOM 341 C GLU A 22 -17.980 6.720 -4.885 1.00 0.00 C ATOM 342 O GLU A 22 -17.709 6.876 -6.074 1.00 0.00 O ATOM 343 CB GLU A 22 -16.782 4.929 -3.620 1.00 0.00 C ATOM 344 CG GLU A 22 -15.532 4.503 -2.865 1.00 0.00 C ATOM 345 CD GLU A 22 -15.461 3.001 -2.663 1.00 0.00 C ATOM 346 OE1 GLU A 22 -15.401 2.266 -3.674 1.00 0.00 O ATOM 347 OE2 GLU A 22 -15.455 2.549 -1.498 1.00 0.00 O ATOM 0 H GLU A 22 -17.303 6.552 -1.823 1.00 0.00 H new ATOM 0 HA GLU A 22 -15.929 6.789 -4.277 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -17.660 4.609 -3.058 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -16.810 4.410 -4.578 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.650 4.835 -3.412 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -15.511 4.999 -1.894 1.00 0.00 H new ATOM 354 N GLN A 23 -19.217 6.797 -4.407 1.00 0.00 N ATOM 355 CA GLN A 23 -20.366 6.999 -5.276 1.00 0.00 C ATOM 356 C GLN A 23 -20.284 8.352 -5.975 1.00 0.00 C ATOM 357 O GLN A 23 -20.384 8.436 -7.200 1.00 0.00 O ATOM 358 CB GLN A 23 -21.661 6.905 -4.468 1.00 0.00 C ATOM 359 CG GLN A 23 -22.866 6.495 -5.294 1.00 0.00 C ATOM 360 CD GLN A 23 -22.734 5.094 -5.872 1.00 0.00 C ATOM 361 OE1 GLN A 23 -22.039 4.213 -5.160 1.00 0.00 O flip ATOM 362 NE2 GLN A 23 -23.259 4.803 -6.948 1.00 0.00 N flip ATOM 0 H GLN A 23 -19.448 6.722 -3.416 1.00 0.00 H new ATOM 0 HA GLN A 23 -20.362 6.217 -6.036 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -21.524 6.186 -3.660 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -21.861 7.871 -4.005 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -23.760 6.544 -4.673 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -23.003 7.208 -6.107 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -23.785 5.507 -7.466 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -23.168 3.858 -7.321 1.00 0.00 H new ATOM 371 N MET A 24 -20.088 9.410 -5.194 1.00 0.00 N ATOM 372 CA MET A 24 -19.993 10.753 -5.749 1.00 0.00 C ATOM 373 C MET A 24 -18.737 10.890 -6.602 1.00 0.00 C ATOM 374 O MET A 24 -18.758 11.535 -7.647 1.00 0.00 O ATOM 375 CB MET A 24 -20.000 11.821 -4.649 1.00 0.00 C ATOM 376 CG MET A 24 -18.822 11.747 -3.694 1.00 0.00 C ATOM 377 SD MET A 24 -18.851 13.052 -2.447 1.00 0.00 S ATOM 378 CE MET A 24 -18.801 14.516 -3.482 1.00 0.00 C ATOM 0 H MET A 24 -19.992 9.363 -4.180 1.00 0.00 H new ATOM 0 HA MET A 24 -20.870 10.911 -6.376 1.00 0.00 H new ATOM 0 HB2 MET A 24 -20.012 12.806 -5.116 1.00 0.00 H new ATOM 0 HB3 MET A 24 -20.923 11.729 -4.076 1.00 0.00 H new ATOM 0 HG2 MET A 24 -18.822 10.776 -3.198 1.00 0.00 H new ATOM 0 HG3 MET A 24 -17.894 11.814 -4.262 1.00 0.00 H new ATOM 0 HE1 MET A 24 -17.973 15.153 -3.171 1.00 0.00 H new ATOM 0 HE2 MET A 24 -18.661 14.222 -4.522 1.00 0.00 H new ATOM 0 HE3 MET A 24 -19.738 15.064 -3.383 1.00 0.00 H new ATOM 388 N LYS A 25 -17.652 10.271 -6.149 1.00 0.00 N ATOM 389 CA LYS A 25 -16.392 10.276 -6.883 1.00 0.00 C ATOM 390 C LYS A 25 -16.590 9.651 -8.260 1.00 0.00 C ATOM 391 O LYS A 25 -16.113 10.171 -9.272 1.00 0.00 O ATOM 392 CB LYS A 25 -15.333 9.485 -6.108 1.00 0.00 C ATOM 393 CG LYS A 25 -13.912 9.686 -6.604 1.00 0.00 C ATOM 394 CD LYS A 25 -13.406 11.081 -6.275 1.00 0.00 C ATOM 395 CE LYS A 25 -11.974 11.278 -6.738 1.00 0.00 C ATOM 396 NZ LYS A 25 -11.441 12.610 -6.346 1.00 0.00 N ATOM 0 H LYS A 25 -17.621 9.755 -5.269 1.00 0.00 H new ATOM 0 HA LYS A 25 -16.056 11.306 -7.001 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -15.382 9.770 -5.057 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -15.577 8.424 -6.163 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.257 8.942 -6.150 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -13.875 9.528 -7.682 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -14.048 11.823 -6.749 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.468 11.247 -5.199 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.345 10.496 -6.313 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.925 11.172 -7.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -10.522 12.766 -6.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.108 13.351 -6.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.320 12.645 -5.314 1.00 0.00 H new ATOM 410 N GLU A 26 -17.308 8.535 -8.280 1.00 0.00 N ATOM 411 CA GLU A 26 -17.599 7.819 -9.511 1.00 0.00 C ATOM 412 C GLU A 26 -18.518 8.649 -10.402 1.00 0.00 C ATOM 413 O GLU A 26 -18.286 8.766 -11.601 1.00 0.00 O ATOM 414 CB GLU A 26 -18.239 6.467 -9.189 1.00 0.00 C ATOM 415 CG GLU A 26 -18.332 5.533 -10.382 1.00 0.00 C ATOM 416 CD GLU A 26 -18.944 4.197 -10.021 1.00 0.00 C ATOM 417 OE1 GLU A 26 -18.213 3.318 -9.514 1.00 0.00 O ATOM 418 OE2 GLU A 26 -20.156 4.015 -10.252 1.00 0.00 O ATOM 0 H GLU A 26 -17.703 8.103 -7.445 1.00 0.00 H new ATOM 0 HA GLU A 26 -16.667 7.645 -10.049 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -17.662 5.980 -8.403 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -19.240 6.635 -8.792 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -18.929 6.004 -11.163 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -17.336 5.374 -10.794 1.00 0.00 H new ATOM 425 N LYS A 27 -19.547 9.239 -9.802 1.00 0.00 N ATOM 426 CA LYS A 27 -20.480 10.101 -10.525 1.00 0.00 C ATOM 427 C LYS A 27 -19.742 11.183 -11.301 1.00 0.00 C ATOM 428 O LYS A 27 -19.962 11.362 -12.500 1.00 0.00 O ATOM 429 CB LYS A 27 -21.465 10.750 -9.552 1.00 0.00 C ATOM 430 CG LYS A 27 -22.596 9.833 -9.115 1.00 0.00 C ATOM 431 CD LYS A 27 -23.647 9.687 -10.207 1.00 0.00 C ATOM 432 CE LYS A 27 -24.397 10.993 -10.442 1.00 0.00 C ATOM 433 NZ LYS A 27 -25.216 11.391 -9.261 1.00 0.00 N ATOM 0 H LYS A 27 -19.758 9.136 -8.809 1.00 0.00 H new ATOM 0 HA LYS A 27 -21.026 9.479 -11.234 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -20.921 11.085 -8.669 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -21.891 11.638 -10.020 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -22.194 8.852 -8.862 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -23.060 10.230 -8.212 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -23.168 9.370 -11.133 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -24.354 8.905 -9.930 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -23.683 11.784 -10.670 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -25.045 10.887 -11.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -25.799 12.217 -9.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -25.833 10.601 -8.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -24.588 11.633 -8.468 1.00 0.00 H new ATOM 447 N VAL A 28 -18.856 11.889 -10.609 1.00 0.00 N ATOM 448 CA VAL A 28 -18.092 12.968 -11.210 1.00 0.00 C ATOM 449 C VAL A 28 -17.264 12.460 -12.389 1.00 0.00 C ATOM 450 O VAL A 28 -17.212 13.092 -13.439 1.00 0.00 O ATOM 451 CB VAL A 28 -17.163 13.638 -10.171 1.00 0.00 C ATOM 452 CG1 VAL A 28 -16.346 14.749 -10.806 1.00 0.00 C ATOM 453 CG2 VAL A 28 -17.973 14.186 -9.007 1.00 0.00 C ATOM 0 H VAL A 28 -18.650 11.729 -9.623 1.00 0.00 H new ATOM 0 HA VAL A 28 -18.804 13.710 -11.572 1.00 0.00 H new ATOM 0 HB VAL A 28 -16.477 12.878 -9.797 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -15.702 15.203 -10.053 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -15.733 14.337 -11.608 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -17.016 15.506 -11.214 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -17.303 14.654 -8.286 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -18.684 14.926 -9.375 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -18.514 13.372 -8.525 1.00 0.00 H new ATOM 463 N MET A 29 -16.653 11.292 -12.230 1.00 0.00 N ATOM 464 CA MET A 29 -15.772 10.762 -13.264 1.00 0.00 C ATOM 465 C MET A 29 -16.544 9.985 -14.335 1.00 0.00 C ATOM 466 O MET A 29 -15.947 9.256 -15.128 1.00 0.00 O ATOM 467 CB MET A 29 -14.688 9.872 -12.649 1.00 0.00 C ATOM 468 CG MET A 29 -15.224 8.616 -11.988 1.00 0.00 C ATOM 469 SD MET A 29 -13.918 7.580 -11.299 1.00 0.00 S ATOM 470 CE MET A 29 -13.151 8.715 -10.143 1.00 0.00 C ATOM 0 H MET A 29 -16.749 10.700 -11.405 1.00 0.00 H new ATOM 0 HA MET A 29 -15.300 11.616 -13.749 1.00 0.00 H new ATOM 0 HB2 MET A 29 -13.981 9.587 -13.428 1.00 0.00 H new ATOM 0 HB3 MET A 29 -14.133 10.450 -11.911 1.00 0.00 H new ATOM 0 HG2 MET A 29 -15.917 8.896 -11.194 1.00 0.00 H new ATOM 0 HG3 MET A 29 -15.792 8.040 -12.719 1.00 0.00 H new ATOM 0 HE1 MET A 29 -12.957 8.200 -9.202 1.00 0.00 H new ATOM 0 HE2 MET A 29 -12.211 9.077 -10.559 1.00 0.00 H new ATOM 0 HE3 MET A 29 -13.818 9.559 -9.965 1.00 0.00 H new ATOM 480 N LYS A 30 -17.863 10.146 -14.370 1.00 0.00 N ATOM 481 CA LYS A 30 -18.673 9.498 -15.397 1.00 0.00 C ATOM 482 C LYS A 30 -19.425 10.513 -16.257 1.00 0.00 C ATOM 483 O LYS A 30 -20.121 10.135 -17.198 1.00 0.00 O ATOM 484 CB LYS A 30 -19.668 8.506 -14.783 1.00 0.00 C ATOM 485 CG LYS A 30 -19.199 7.055 -14.822 1.00 0.00 C ATOM 486 CD LYS A 30 -18.137 6.767 -13.773 1.00 0.00 C ATOM 487 CE LYS A 30 -17.641 5.333 -13.855 1.00 0.00 C ATOM 488 NZ LYS A 30 -16.652 5.141 -14.947 1.00 0.00 N ATOM 0 H LYS A 30 -18.390 10.714 -13.706 1.00 0.00 H new ATOM 0 HA LYS A 30 -17.980 8.953 -16.037 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -19.856 8.789 -13.747 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -20.618 8.585 -15.312 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -20.052 6.395 -14.664 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -18.801 6.830 -15.811 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -17.298 7.450 -13.907 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -18.546 6.955 -12.780 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -17.188 5.052 -12.904 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -18.488 4.666 -14.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -16.342 4.148 -14.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -17.090 5.383 -15.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -15.830 5.757 -14.783 1.00 0.00 H new ATOM 502 N ASP A 31 -19.293 11.795 -15.946 1.00 0.00 N ATOM 503 CA ASP A 31 -19.968 12.826 -16.727 1.00 0.00 C ATOM 504 C ASP A 31 -19.134 13.213 -17.936 1.00 0.00 C ATOM 505 O ASP A 31 -17.927 13.420 -17.825 1.00 0.00 O ATOM 506 CB ASP A 31 -20.255 14.065 -15.885 1.00 0.00 C ATOM 507 CG ASP A 31 -20.985 15.131 -16.681 1.00 0.00 C ATOM 508 OD1 ASP A 31 -22.210 15.001 -16.880 1.00 0.00 O ATOM 509 OD2 ASP A 31 -20.337 16.096 -17.130 1.00 0.00 O ATOM 0 H ASP A 31 -18.732 12.145 -15.169 1.00 0.00 H new ATOM 0 HA ASP A 31 -20.918 12.410 -17.063 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -20.854 13.785 -15.018 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -19.318 14.472 -15.506 1.00 0.00 H new ATOM 514 N GLN A 32 -19.791 13.322 -19.082 1.00 0.00 N ATOM 515 CA GLN A 32 -19.118 13.616 -20.345 1.00 0.00 C ATOM 516 C GLN A 32 -18.448 14.992 -20.333 1.00 0.00 C ATOM 517 O GLN A 32 -17.332 15.152 -20.828 1.00 0.00 O ATOM 518 CB GLN A 32 -20.117 13.555 -21.501 1.00 0.00 C ATOM 519 CG GLN A 32 -21.301 14.493 -21.320 1.00 0.00 C ATOM 520 CD GLN A 32 -21.960 14.879 -22.623 1.00 0.00 C ATOM 521 OE1 GLN A 32 -21.968 14.116 -23.591 1.00 0.00 O ATOM 522 NE2 GLN A 32 -22.491 16.089 -22.664 1.00 0.00 N ATOM 0 H GLN A 32 -20.801 13.210 -19.166 1.00 0.00 H new ATOM 0 HA GLN A 32 -18.343 12.862 -20.478 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -19.604 13.803 -22.430 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -20.483 12.533 -21.603 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -22.039 14.016 -20.675 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -20.966 15.395 -20.808 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -22.462 16.687 -21.838 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -22.930 16.424 -23.521 1.00 0.00 H new ATOM 531 N ASP A 33 -19.128 15.979 -19.768 1.00 0.00 N ATOM 532 CA ASP A 33 -18.634 17.347 -19.782 1.00 0.00 C ATOM 533 C ASP A 33 -17.486 17.494 -18.802 1.00 0.00 C ATOM 534 O ASP A 33 -16.551 18.270 -19.028 1.00 0.00 O ATOM 535 CB ASP A 33 -19.755 18.332 -19.447 1.00 0.00 C ATOM 536 CG ASP A 33 -20.856 18.332 -20.487 1.00 0.00 C ATOM 537 OD1 ASP A 33 -20.746 19.086 -21.474 1.00 0.00 O ATOM 538 OD2 ASP A 33 -21.839 17.574 -20.322 1.00 0.00 O ATOM 0 H ASP A 33 -20.023 15.858 -19.294 1.00 0.00 H new ATOM 0 HA ASP A 33 -18.272 17.576 -20.785 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -20.178 18.079 -18.475 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -19.339 19.336 -19.363 1.00 0.00 H new ATOM 543 N VAL A 34 -17.560 16.740 -17.713 1.00 0.00 N ATOM 544 CA VAL A 34 -16.463 16.655 -16.764 1.00 0.00 C ATOM 545 C VAL A 34 -15.209 16.114 -17.458 1.00 0.00 C ATOM 546 O VAL A 34 -14.115 16.651 -17.281 1.00 0.00 O ATOM 547 CB VAL A 34 -16.835 15.768 -15.553 1.00 0.00 C ATOM 548 CG1 VAL A 34 -15.637 15.525 -14.652 1.00 0.00 C ATOM 549 CG2 VAL A 34 -17.960 16.411 -14.756 1.00 0.00 C ATOM 0 H VAL A 34 -18.374 16.177 -17.466 1.00 0.00 H new ATOM 0 HA VAL A 34 -16.258 17.658 -16.391 1.00 0.00 H new ATOM 0 HB VAL A 34 -17.169 14.805 -15.938 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -15.935 14.898 -13.812 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -14.852 15.024 -15.218 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -15.263 16.478 -14.279 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -18.213 15.777 -13.906 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -17.639 17.388 -14.396 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -18.836 16.529 -15.394 1.00 0.00 H new ATOM 559 N GLN A 35 -15.383 15.073 -18.276 1.00 0.00 N ATOM 560 CA GLN A 35 -14.271 14.496 -19.039 1.00 0.00 C ATOM 561 C GLN A 35 -13.606 15.561 -19.900 1.00 0.00 C ATOM 562 O GLN A 35 -12.384 15.725 -19.885 1.00 0.00 O ATOM 563 CB GLN A 35 -14.756 13.377 -19.963 1.00 0.00 C ATOM 564 CG GLN A 35 -15.610 12.328 -19.282 1.00 0.00 C ATOM 565 CD GLN A 35 -14.871 11.552 -18.213 1.00 0.00 C ATOM 566 OE1 GLN A 35 -13.666 11.329 -18.305 1.00 0.00 O ATOM 567 NE2 GLN A 35 -15.592 11.146 -17.185 1.00 0.00 N ATOM 0 H GLN A 35 -16.281 14.613 -18.427 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.561 14.094 -18.317 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -15.327 13.819 -20.779 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.889 12.889 -20.408 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -16.478 12.812 -18.835 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -15.984 11.632 -20.032 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -16.590 11.353 -17.149 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -15.151 10.625 -16.427 1.00 0.00 H new ATOM 576 N ALA A 36 -14.435 16.280 -20.649 1.00 0.00 N ATOM 577 CA ALA A 36 -13.964 17.313 -21.563 1.00 0.00 C ATOM 578 C ALA A 36 -13.137 18.367 -20.834 1.00 0.00 C ATOM 579 O ALA A 36 -12.065 18.752 -21.300 1.00 0.00 O ATOM 580 CB ALA A 36 -15.144 17.957 -22.271 1.00 0.00 C ATOM 0 H ALA A 36 -15.448 16.164 -20.640 1.00 0.00 H new ATOM 0 HA ALA A 36 -13.318 16.842 -22.304 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -14.783 18.728 -22.952 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.687 17.199 -22.836 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -15.809 18.407 -21.534 1.00 0.00 H new ATOM 586 N PHE A 37 -13.631 18.822 -19.688 1.00 0.00 N ATOM 587 CA PHE A 37 -12.926 19.827 -18.900 1.00 0.00 C ATOM 588 C PHE A 37 -11.629 19.266 -18.327 1.00 0.00 C ATOM 589 O PHE A 37 -10.598 19.945 -18.322 1.00 0.00 O ATOM 590 CB PHE A 37 -13.814 20.347 -17.767 1.00 0.00 C ATOM 591 CG PHE A 37 -13.095 21.263 -16.813 1.00 0.00 C ATOM 592 CD1 PHE A 37 -12.785 22.562 -17.177 1.00 0.00 C ATOM 593 CD2 PHE A 37 -12.727 20.820 -15.552 1.00 0.00 C ATOM 594 CE1 PHE A 37 -12.122 23.402 -16.300 1.00 0.00 C ATOM 595 CE2 PHE A 37 -12.065 21.654 -14.674 1.00 0.00 C ATOM 596 CZ PHE A 37 -11.762 22.946 -15.047 1.00 0.00 C ATOM 0 H PHE A 37 -14.515 18.512 -19.284 1.00 0.00 H new ATOM 0 HA PHE A 37 -12.680 20.655 -19.565 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -14.664 20.877 -18.196 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -14.215 19.499 -17.212 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -13.064 22.924 -18.156 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -12.961 19.809 -15.253 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -11.886 24.414 -16.595 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -11.784 21.295 -13.695 1.00 0.00 H new ATOM 0 HZ PHE A 37 -11.244 23.600 -14.361 1.00 0.00 H new ATOM 606 N LEU A 38 -11.686 18.030 -17.851 1.00 0.00 N ATOM 607 CA LEU A 38 -10.529 17.383 -17.246 1.00 0.00 C ATOM 608 C LEU A 38 -9.356 17.328 -18.210 1.00 0.00 C ATOM 609 O LEU A 38 -8.226 17.611 -17.826 1.00 0.00 O ATOM 610 CB LEU A 38 -10.880 15.972 -16.768 1.00 0.00 C ATOM 611 CG LEU A 38 -11.072 15.825 -15.254 1.00 0.00 C ATOM 612 CD1 LEU A 38 -9.789 16.173 -14.519 1.00 0.00 C ATOM 613 CD2 LEU A 38 -12.213 16.701 -14.761 1.00 0.00 C ATOM 0 H LEU A 38 -12.526 17.452 -17.872 1.00 0.00 H new ATOM 0 HA LEU A 38 -10.236 17.983 -16.385 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -11.795 15.654 -17.267 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -10.091 15.291 -17.086 1.00 0.00 H new ATOM 0 HG LEU A 38 -11.325 14.785 -15.047 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.943 16.063 -13.446 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.992 15.503 -14.841 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.510 17.203 -14.742 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -12.327 16.577 -13.684 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -11.993 17.745 -14.985 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -13.137 16.409 -15.260 1.00 0.00 H new ATOM 625 N LYS A 39 -9.616 16.976 -19.464 1.00 0.00 N ATOM 626 CA LYS A 39 -8.545 16.897 -20.449 1.00 0.00 C ATOM 627 C LYS A 39 -8.239 18.279 -21.029 1.00 0.00 C ATOM 628 O LYS A 39 -7.152 18.519 -21.553 1.00 0.00 O ATOM 629 CB LYS A 39 -8.896 15.922 -21.577 1.00 0.00 C ATOM 630 CG LYS A 39 -9.672 16.554 -22.721 1.00 0.00 C ATOM 631 CD LYS A 39 -9.614 15.702 -23.980 1.00 0.00 C ATOM 632 CE LYS A 39 -8.180 15.344 -24.364 1.00 0.00 C ATOM 633 NZ LYS A 39 -7.264 16.519 -24.332 1.00 0.00 N ATOM 0 H LYS A 39 -10.544 16.744 -19.818 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.657 16.524 -19.938 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.975 15.491 -21.970 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -9.482 15.101 -21.164 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -10.711 16.692 -22.423 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.267 17.544 -22.932 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.187 14.788 -23.825 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -10.086 16.239 -24.803 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.806 14.579 -23.683 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.174 14.911 -25.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.579 16.446 -25.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.817 17.393 -24.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.756 16.538 -23.425 1.00 0.00 H new ATOM 647 N GLU A 40 -9.202 19.186 -20.938 1.00 0.00 N ATOM 648 CA GLU A 40 -9.008 20.556 -21.400 1.00 0.00 C ATOM 649 C GLU A 40 -7.959 21.225 -20.523 1.00 0.00 C ATOM 650 O GLU A 40 -7.090 21.952 -20.998 1.00 0.00 O ATOM 651 CB GLU A 40 -10.335 21.323 -21.332 1.00 0.00 C ATOM 652 CG GLU A 40 -10.503 22.404 -22.394 1.00 0.00 C ATOM 653 CD GLU A 40 -9.643 23.628 -22.160 1.00 0.00 C ATOM 654 OE1 GLU A 40 -10.001 24.454 -21.291 1.00 0.00 O ATOM 655 OE2 GLU A 40 -8.623 23.786 -22.856 1.00 0.00 O ATOM 0 H GLU A 40 -10.126 18.999 -20.549 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.667 20.556 -22.435 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.155 20.611 -21.425 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.423 21.783 -20.348 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.261 21.983 -23.370 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -11.549 22.707 -22.428 1.00 0.00 H new ATOM 662 N ASN A 41 -8.034 20.931 -19.236 1.00 0.00 N ATOM 663 CA ASN A 41 -7.118 21.499 -18.264 1.00 0.00 C ATOM 664 C ASN A 41 -6.280 20.412 -17.611 1.00 0.00 C ATOM 665 O ASN A 41 -5.882 20.538 -16.458 1.00 0.00 O ATOM 666 CB ASN A 41 -7.897 22.273 -17.197 1.00 0.00 C ATOM 667 CG ASN A 41 -8.403 23.606 -17.709 1.00 0.00 C ATOM 668 OD1 ASN A 41 -7.725 24.622 -17.590 1.00 0.00 O ATOM 669 ND2 ASN A 41 -9.592 23.613 -18.288 1.00 0.00 N ATOM 0 H ASN A 41 -8.727 20.296 -18.838 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.448 22.183 -18.784 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.741 21.672 -16.859 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.256 22.438 -16.331 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -9.976 24.484 -18.655 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.125 22.747 -18.368 1.00 0.00 H new ATOM 676 N GLU A 42 -5.979 19.361 -18.371 1.00 0.00 N ATOM 677 CA GLU A 42 -5.215 18.225 -17.854 1.00 0.00 C ATOM 678 C GLU A 42 -3.824 18.657 -17.400 1.00 0.00 C ATOM 679 O GLU A 42 -3.189 17.994 -16.582 1.00 0.00 O ATOM 680 CB GLU A 42 -5.110 17.122 -18.916 1.00 0.00 C ATOM 681 CG GLU A 42 -4.530 17.592 -20.241 1.00 0.00 C ATOM 682 CD GLU A 42 -4.459 16.482 -21.275 1.00 0.00 C ATOM 683 OE1 GLU A 42 -3.441 15.761 -21.305 1.00 0.00 O ATOM 684 OE2 GLU A 42 -5.413 16.331 -22.071 1.00 0.00 O ATOM 0 H GLU A 42 -6.253 19.271 -19.349 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.746 17.830 -16.988 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.491 16.314 -18.526 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.102 16.706 -19.092 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.139 18.408 -20.631 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.530 17.992 -20.074 1.00 0.00 H new ATOM 691 N GLU A 43 -3.362 19.776 -17.936 1.00 0.00 N ATOM 692 CA GLU A 43 -2.079 20.336 -17.555 1.00 0.00 C ATOM 693 C GLU A 43 -2.177 21.053 -16.210 1.00 0.00 C ATOM 694 O GLU A 43 -1.245 21.022 -15.404 1.00 0.00 O ATOM 695 CB GLU A 43 -1.615 21.318 -18.630 1.00 0.00 C ATOM 696 CG GLU A 43 -0.301 22.007 -18.309 1.00 0.00 C ATOM 697 CD GLU A 43 0.034 23.095 -19.303 1.00 0.00 C ATOM 698 OE1 GLU A 43 -0.553 24.191 -19.208 1.00 0.00 O ATOM 699 OE2 GLU A 43 0.882 22.862 -20.184 1.00 0.00 O ATOM 0 H GLU A 43 -3.863 20.316 -18.642 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.358 19.524 -17.459 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.513 20.785 -19.575 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.386 22.076 -18.773 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.353 22.436 -17.308 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.501 21.269 -18.298 1.00 0.00 H new ATOM 706 N VAL A 44 -3.323 21.672 -15.965 1.00 0.00 N ATOM 707 CA VAL A 44 -3.490 22.547 -14.811 1.00 0.00 C ATOM 708 C VAL A 44 -4.062 21.790 -13.617 1.00 0.00 C ATOM 709 O VAL A 44 -3.654 22.011 -12.478 1.00 0.00 O ATOM 710 CB VAL A 44 -4.426 23.732 -15.138 1.00 0.00 C ATOM 711 CG1 VAL A 44 -4.366 24.787 -14.048 1.00 0.00 C ATOM 712 CG2 VAL A 44 -4.087 24.334 -16.493 1.00 0.00 C ATOM 0 H VAL A 44 -4.153 21.585 -16.551 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.499 22.924 -14.559 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.446 23.351 -15.184 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.034 25.611 -14.302 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.675 24.348 -13.099 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.346 25.161 -13.959 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.760 25.166 -16.700 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.058 24.693 -16.484 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.200 23.575 -17.267 1.00 0.00 H new ATOM 722 N ILE A 45 -5.002 20.896 -13.886 1.00 0.00 N ATOM 723 CA ILE A 45 -5.708 20.183 -12.831 1.00 0.00 C ATOM 724 C ILE A 45 -4.805 19.157 -12.150 1.00 0.00 C ATOM 725 O ILE A 45 -3.965 18.521 -12.789 1.00 0.00 O ATOM 726 CB ILE A 45 -6.974 19.481 -13.372 1.00 0.00 C ATOM 727 CG1 ILE A 45 -7.918 20.508 -14.001 1.00 0.00 C ATOM 728 CG2 ILE A 45 -7.688 18.714 -12.265 1.00 0.00 C ATOM 729 CD1 ILE A 45 -9.131 19.898 -14.666 1.00 0.00 C ATOM 0 H ILE A 45 -5.295 20.646 -14.831 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.009 20.928 -12.095 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.668 18.766 -14.136 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -8.250 21.203 -13.229 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -7.366 21.091 -14.738 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.575 18.229 -12.672 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -7.018 17.959 -11.855 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -7.982 19.405 -11.475 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -9.751 20.689 -15.088 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.810 19.225 -15.461 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.708 19.339 -13.929 1.00 0.00 H new ATOM 741 N ASP A 46 -4.981 19.025 -10.847 1.00 0.00 N ATOM 742 CA ASP A 46 -4.244 18.052 -10.053 1.00 0.00 C ATOM 743 C ASP A 46 -5.231 17.110 -9.382 1.00 0.00 C ATOM 744 O ASP A 46 -6.430 17.392 -9.331 1.00 0.00 O ATOM 745 CB ASP A 46 -3.405 18.766 -8.984 1.00 0.00 C ATOM 746 CG ASP A 46 -2.471 17.836 -8.233 1.00 0.00 C ATOM 747 OD1 ASP A 46 -2.896 17.254 -7.214 1.00 0.00 O ATOM 748 OD2 ASP A 46 -1.308 17.690 -8.652 1.00 0.00 O ATOM 0 H ASP A 46 -5.638 19.588 -10.308 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.576 17.488 -10.703 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.819 19.553 -9.458 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -4.073 19.251 -8.272 1.00 0.00 H new ATOM 753 N GLN A 47 -4.728 16.005 -8.861 1.00 0.00 N ATOM 754 CA GLN A 47 -5.544 15.073 -8.095 1.00 0.00 C ATOM 755 C GLN A 47 -6.179 15.790 -6.910 1.00 0.00 C ATOM 756 O GLN A 47 -7.370 15.637 -6.634 1.00 0.00 O ATOM 757 CB GLN A 47 -4.679 13.926 -7.588 1.00 0.00 C ATOM 758 CG GLN A 47 -4.145 13.030 -8.689 1.00 0.00 C ATOM 759 CD GLN A 47 -3.291 11.900 -8.147 1.00 0.00 C ATOM 760 OE1 GLN A 47 -2.075 12.037 -7.997 1.00 0.00 O ATOM 761 NE2 GLN A 47 -3.920 10.775 -7.848 1.00 0.00 N ATOM 0 H GLN A 47 -3.751 15.728 -8.954 1.00 0.00 H new ATOM 0 HA GLN A 47 -6.329 14.678 -8.740 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -3.839 14.337 -7.027 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -5.263 13.323 -6.892 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -4.980 12.614 -9.253 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -3.556 13.626 -9.386 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -4.928 10.702 -7.987 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -3.397 9.981 -7.479 1.00 0.00 H new ATOM 770 N LYS A 48 -5.365 16.597 -6.238 1.00 0.00 N ATOM 771 CA LYS A 48 -5.797 17.357 -5.074 1.00 0.00 C ATOM 772 C LYS A 48 -6.871 18.366 -5.449 1.00 0.00 C ATOM 773 O LYS A 48 -7.817 18.591 -4.696 1.00 0.00 O ATOM 774 CB LYS A 48 -4.597 18.075 -4.466 1.00 0.00 C ATOM 775 CG LYS A 48 -3.565 17.125 -3.892 1.00 0.00 C ATOM 776 CD LYS A 48 -2.272 17.838 -3.537 1.00 0.00 C ATOM 777 CE LYS A 48 -1.232 16.854 -3.029 1.00 0.00 C ATOM 778 NZ LYS A 48 0.110 17.475 -2.884 1.00 0.00 N ATOM 0 H LYS A 48 -4.386 16.742 -6.486 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.222 16.667 -4.345 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.127 18.695 -5.229 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.943 18.746 -3.679 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.970 16.644 -3.002 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.357 16.335 -4.614 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.887 18.360 -4.413 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.466 18.594 -2.776 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.552 16.456 -2.066 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.167 16.011 -3.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.785 16.765 -2.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.429 17.832 -3.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.056 18.263 -2.208 1.00 0.00 H new ATOM 792 N MET A 49 -6.711 18.970 -6.620 1.00 0.00 N ATOM 793 CA MET A 49 -7.681 19.914 -7.149 1.00 0.00 C ATOM 794 C MET A 49 -9.052 19.260 -7.250 1.00 0.00 C ATOM 795 O MET A 49 -10.072 19.882 -6.955 1.00 0.00 O ATOM 796 CB MET A 49 -7.238 20.406 -8.528 1.00 0.00 C ATOM 797 CG MET A 49 -8.084 21.537 -9.063 1.00 0.00 C ATOM 798 SD MET A 49 -7.456 22.200 -10.618 1.00 0.00 S ATOM 799 CE MET A 49 -5.865 22.840 -10.094 1.00 0.00 C ATOM 0 H MET A 49 -5.906 18.818 -7.227 1.00 0.00 H new ATOM 0 HA MET A 49 -7.744 20.765 -6.471 1.00 0.00 H new ATOM 0 HB2 MET A 49 -6.200 20.734 -8.472 1.00 0.00 H new ATOM 0 HB3 MET A 49 -7.272 19.573 -9.231 1.00 0.00 H new ATOM 0 HG2 MET A 49 -9.105 21.184 -9.209 1.00 0.00 H new ATOM 0 HG3 MET A 49 -8.126 22.336 -8.323 1.00 0.00 H new ATOM 0 HE1 MET A 49 -5.715 23.833 -10.517 1.00 0.00 H new ATOM 0 HE2 MET A 49 -5.838 22.901 -9.006 1.00 0.00 H new ATOM 0 HE3 MET A 49 -5.074 22.175 -10.440 1.00 0.00 H new ATOM 809 N ILE A 50 -9.059 17.995 -7.653 1.00 0.00 N ATOM 810 CA ILE A 50 -10.292 17.229 -7.776 1.00 0.00 C ATOM 811 C ILE A 50 -10.918 16.983 -6.407 1.00 0.00 C ATOM 812 O ILE A 50 -12.131 17.092 -6.245 1.00 0.00 O ATOM 813 CB ILE A 50 -10.048 15.868 -8.471 1.00 0.00 C ATOM 814 CG1 ILE A 50 -9.438 16.074 -9.861 1.00 0.00 C ATOM 815 CG2 ILE A 50 -11.351 15.084 -8.571 1.00 0.00 C ATOM 816 CD1 ILE A 50 -10.347 16.812 -10.824 1.00 0.00 C ATOM 0 H ILE A 50 -8.217 17.475 -7.902 1.00 0.00 H new ATOM 0 HA ILE A 50 -10.974 17.820 -8.388 1.00 0.00 H new ATOM 0 HB ILE A 50 -9.343 15.295 -7.870 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -8.505 16.628 -9.760 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -9.187 15.102 -10.285 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -11.164 14.129 -9.062 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -11.747 14.907 -7.571 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -12.075 15.655 -9.152 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.847 16.920 -11.786 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -11.271 16.249 -10.956 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -10.578 17.799 -10.423 1.00 0.00 H new ATOM 828 N GLU A 51 -10.085 16.653 -5.427 1.00 0.00 N ATOM 829 CA GLU A 51 -10.566 16.371 -4.077 1.00 0.00 C ATOM 830 C GLU A 51 -11.133 17.634 -3.440 1.00 0.00 C ATOM 831 O GLU A 51 -12.192 17.610 -2.812 1.00 0.00 O ATOM 832 CB GLU A 51 -9.435 15.823 -3.196 1.00 0.00 C ATOM 833 CG GLU A 51 -8.633 14.689 -3.825 1.00 0.00 C ATOM 834 CD GLU A 51 -9.483 13.512 -4.269 1.00 0.00 C ATOM 835 OE1 GLU A 51 -10.650 13.396 -3.832 1.00 0.00 O ATOM 836 OE2 GLU A 51 -8.992 12.697 -5.074 1.00 0.00 O ATOM 0 H GLU A 51 -9.074 16.574 -5.540 1.00 0.00 H new ATOM 0 HA GLU A 51 -11.351 15.619 -4.154 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.755 16.639 -2.951 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.862 15.471 -2.257 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.087 15.076 -4.685 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.891 14.339 -3.107 1.00 0.00 H new ATOM 843 N LYS A 52 -10.421 18.740 -3.621 1.00 0.00 N ATOM 844 CA LYS A 52 -10.825 20.025 -3.062 1.00 0.00 C ATOM 845 C LYS A 52 -12.097 20.540 -3.722 1.00 0.00 C ATOM 846 O LYS A 52 -12.896 21.239 -3.098 1.00 0.00 O ATOM 847 CB LYS A 52 -9.708 21.059 -3.237 1.00 0.00 C ATOM 848 CG LYS A 52 -8.510 20.834 -2.329 1.00 0.00 C ATOM 849 CD LYS A 52 -8.881 21.042 -0.870 1.00 0.00 C ATOM 850 CE LYS A 52 -7.673 20.919 0.041 1.00 0.00 C ATOM 851 NZ LYS A 52 -8.027 21.185 1.459 1.00 0.00 N ATOM 0 H LYS A 52 -9.553 18.772 -4.156 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.020 19.874 -2.000 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.373 21.045 -4.274 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.114 22.053 -3.047 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.128 19.823 -2.470 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.708 21.519 -2.604 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.331 22.027 -0.746 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.633 20.309 -0.578 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.251 19.918 -0.047 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.902 21.620 -0.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.178 21.092 2.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -8.407 22.149 1.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.744 20.500 1.772 1.00 0.00 H new ATOM 865 N SER A 53 -12.283 20.184 -4.982 1.00 0.00 N ATOM 866 CA SER A 53 -13.401 20.692 -5.755 1.00 0.00 C ATOM 867 C SER A 53 -14.435 19.604 -6.011 1.00 0.00 C ATOM 868 O SER A 53 -15.266 19.737 -6.902 1.00 0.00 O ATOM 869 CB SER A 53 -12.892 21.253 -7.082 1.00 0.00 C ATOM 870 OG SER A 53 -11.752 22.069 -6.876 1.00 0.00 O ATOM 0 H SER A 53 -11.673 19.544 -5.491 1.00 0.00 H new ATOM 0 HA SER A 53 -13.883 21.484 -5.183 1.00 0.00 H new ATOM 0 HB2 SER A 53 -12.642 20.434 -7.757 1.00 0.00 H new ATOM 0 HB3 SER A 53 -13.679 21.834 -7.563 1.00 0.00 H new ATOM 0 HG SER A 53 -10.950 21.507 -6.841 1.00 0.00 H new ATOM 876 N LEU A 54 -14.396 18.539 -5.217 1.00 0.00 N ATOM 877 CA LEU A 54 -15.333 17.434 -5.368 1.00 0.00 C ATOM 878 C LEU A 54 -16.760 17.922 -5.195 1.00 0.00 C ATOM 879 O LEU A 54 -17.643 17.596 -5.988 1.00 0.00 O ATOM 880 CB LEU A 54 -15.027 16.342 -4.345 1.00 0.00 C ATOM 881 CG LEU A 54 -14.601 15.001 -4.936 1.00 0.00 C ATOM 882 CD1 LEU A 54 -14.268 14.013 -3.829 1.00 0.00 C ATOM 883 CD2 LEU A 54 -15.691 14.443 -5.840 1.00 0.00 C ATOM 0 H LEU A 54 -13.723 18.419 -4.460 1.00 0.00 H new ATOM 0 HA LEU A 54 -15.224 17.021 -6.371 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -14.237 16.697 -3.683 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -15.912 16.185 -3.729 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.706 15.160 -5.537 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -13.966 13.062 -4.268 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -13.453 14.407 -3.222 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -15.146 13.860 -3.201 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -15.368 13.487 -6.252 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -16.604 14.300 -5.263 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -15.882 15.142 -6.654 1.00 0.00 H new ATOM 895 N ASN A 55 -16.966 18.709 -4.152 1.00 0.00 N ATOM 896 CA ASN A 55 -18.262 19.329 -3.891 1.00 0.00 C ATOM 897 C ASN A 55 -18.704 20.186 -5.077 1.00 0.00 C ATOM 898 O ASN A 55 -19.873 20.174 -5.454 1.00 0.00 O ATOM 899 CB ASN A 55 -18.213 20.174 -2.610 1.00 0.00 C ATOM 900 CG ASN A 55 -17.185 21.295 -2.669 1.00 0.00 C ATOM 901 OD1 ASN A 55 -17.489 22.416 -3.076 1.00 0.00 O ATOM 902 ND2 ASN A 55 -15.961 21.001 -2.259 1.00 0.00 N ATOM 0 H ASN A 55 -16.248 18.937 -3.465 1.00 0.00 H new ATOM 0 HA ASN A 55 -18.993 18.533 -3.751 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -19.198 20.603 -2.428 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -17.986 19.526 -1.764 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -15.233 21.715 -2.274 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -15.746 20.060 -1.928 1.00 0.00 H new ATOM 909 N LYS A 56 -17.756 20.902 -5.675 1.00 0.00 N ATOM 910 CA LYS A 56 -18.039 21.760 -6.819 1.00 0.00 C ATOM 911 C LYS A 56 -18.419 20.916 -8.032 1.00 0.00 C ATOM 912 O LYS A 56 -19.445 21.142 -8.666 1.00 0.00 O ATOM 913 CB LYS A 56 -16.815 22.613 -7.155 1.00 0.00 C ATOM 914 CG LYS A 56 -16.320 23.460 -5.997 1.00 0.00 C ATOM 915 CD LYS A 56 -16.580 24.942 -6.218 1.00 0.00 C ATOM 916 CE LYS A 56 -18.053 25.299 -6.129 1.00 0.00 C ATOM 917 NZ LYS A 56 -18.253 26.771 -6.222 1.00 0.00 N ATOM 0 H LYS A 56 -16.779 20.904 -5.383 1.00 0.00 H new ATOM 0 HA LYS A 56 -18.873 22.413 -6.562 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -16.008 21.959 -7.485 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -17.058 23.267 -7.993 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -16.811 23.140 -5.078 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -15.251 23.297 -5.860 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -16.026 25.518 -5.477 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -16.199 25.231 -7.197 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -18.600 24.803 -6.931 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -18.463 24.932 -5.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -19.244 27.001 -6.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -17.631 27.250 -5.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -18.024 27.092 -7.184 1.00 0.00 H new ATOM 931 N LEU A 57 -17.582 19.934 -8.331 1.00 0.00 N ATOM 932 CA LEU A 57 -17.768 19.077 -9.494 1.00 0.00 C ATOM 933 C LEU A 57 -19.072 18.293 -9.396 1.00 0.00 C ATOM 934 O LEU A 57 -19.798 18.153 -10.380 1.00 0.00 O ATOM 935 CB LEU A 57 -16.588 18.112 -9.634 1.00 0.00 C ATOM 936 CG LEU A 57 -15.218 18.773 -9.802 1.00 0.00 C ATOM 937 CD1 LEU A 57 -14.124 17.721 -9.884 1.00 0.00 C ATOM 938 CD2 LEU A 57 -15.197 19.656 -11.037 1.00 0.00 C ATOM 0 H LEU A 57 -16.756 19.708 -7.776 1.00 0.00 H new ATOM 0 HA LEU A 57 -17.818 19.714 -10.377 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -16.558 17.471 -8.753 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -16.769 17.465 -10.493 1.00 0.00 H new ATOM 0 HG LEU A 57 -15.032 19.398 -8.929 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -13.157 18.210 -10.003 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -14.120 17.128 -8.969 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -14.309 17.070 -10.738 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -14.214 20.117 -11.138 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -15.407 19.052 -11.920 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -15.954 20.434 -10.941 1.00 0.00 H new ATOM 950 N TYR A 58 -19.370 17.788 -8.207 1.00 0.00 N ATOM 951 CA TYR A 58 -20.582 17.012 -8.006 1.00 0.00 C ATOM 952 C TYR A 58 -21.809 17.908 -8.106 1.00 0.00 C ATOM 953 O TYR A 58 -22.791 17.554 -8.752 1.00 0.00 O ATOM 954 CB TYR A 58 -20.556 16.286 -6.660 1.00 0.00 C ATOM 955 CG TYR A 58 -21.590 15.192 -6.575 1.00 0.00 C ATOM 956 CD1 TYR A 58 -21.505 14.085 -7.407 1.00 0.00 C ATOM 957 CD2 TYR A 58 -22.657 15.271 -5.691 1.00 0.00 C ATOM 958 CE1 TYR A 58 -22.453 13.086 -7.359 1.00 0.00 C ATOM 959 CE2 TYR A 58 -23.617 14.274 -5.642 1.00 0.00 C ATOM 960 CZ TYR A 58 -23.506 13.181 -6.479 1.00 0.00 C ATOM 961 OH TYR A 58 -24.466 12.193 -6.448 1.00 0.00 O ATOM 0 H TYR A 58 -18.793 17.901 -7.374 1.00 0.00 H new ATOM 0 HA TYR A 58 -20.635 16.259 -8.792 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -19.566 15.859 -6.500 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -20.726 17.006 -5.859 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -20.683 14.005 -8.103 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -22.740 16.122 -5.032 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -22.369 12.229 -8.012 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -24.446 14.351 -4.954 1.00 0.00 H new ATOM 0 HH TYR A 58 -25.307 12.543 -6.809 1.00 0.00 H new ATOM 971 N GLU A 59 -21.737 19.078 -7.479 1.00 0.00 N ATOM 972 CA GLU A 59 -22.807 20.066 -7.569 1.00 0.00 C ATOM 973 C GLU A 59 -23.074 20.412 -9.035 1.00 0.00 C ATOM 974 O GLU A 59 -24.217 20.567 -9.452 1.00 0.00 O ATOM 975 CB GLU A 59 -22.412 21.324 -6.789 1.00 0.00 C ATOM 976 CG GLU A 59 -23.482 22.406 -6.747 1.00 0.00 C ATOM 977 CD GLU A 59 -24.709 22.007 -5.953 1.00 0.00 C ATOM 978 OE1 GLU A 59 -24.644 22.014 -4.707 1.00 0.00 O ATOM 979 OE2 GLU A 59 -25.748 21.695 -6.571 1.00 0.00 O ATOM 0 H GLU A 59 -20.947 19.366 -6.902 1.00 0.00 H new ATOM 0 HA GLU A 59 -23.718 19.653 -7.137 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -22.162 21.038 -5.767 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -21.508 21.742 -7.233 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -23.056 23.311 -6.314 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -23.781 22.651 -7.766 1.00 0.00 H new ATOM 986 N TYR A 60 -21.998 20.510 -9.806 1.00 0.00 N ATOM 987 CA TYR A 60 -22.070 20.820 -11.229 1.00 0.00 C ATOM 988 C TYR A 60 -22.952 19.824 -11.987 1.00 0.00 C ATOM 989 O TYR A 60 -23.874 20.220 -12.701 1.00 0.00 O ATOM 990 CB TYR A 60 -20.655 20.827 -11.816 1.00 0.00 C ATOM 991 CG TYR A 60 -20.601 20.891 -13.326 1.00 0.00 C ATOM 992 CD1 TYR A 60 -20.961 22.046 -14.004 1.00 0.00 C ATOM 993 CD2 TYR A 60 -20.191 19.793 -14.073 1.00 0.00 C ATOM 994 CE1 TYR A 60 -20.915 22.105 -15.381 1.00 0.00 C ATOM 995 CE2 TYR A 60 -20.140 19.847 -15.452 1.00 0.00 C ATOM 996 CZ TYR A 60 -20.506 21.005 -16.100 1.00 0.00 C ATOM 997 OH TYR A 60 -20.467 21.063 -17.475 1.00 0.00 O ATOM 0 H TYR A 60 -21.047 20.376 -9.461 1.00 0.00 H new ATOM 0 HA TYR A 60 -22.525 21.804 -11.341 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -20.111 21.680 -11.409 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -20.134 19.929 -11.484 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -21.282 22.912 -13.445 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -19.908 18.882 -13.566 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -21.199 23.012 -15.894 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -19.815 18.987 -16.018 1.00 0.00 H new ATOM 0 HH TYR A 60 -19.551 20.901 -17.783 1.00 0.00 H new ATOM 1007 N ILE A 61 -22.671 18.538 -11.824 1.00 0.00 N ATOM 1008 CA ILE A 61 -23.360 17.507 -12.593 1.00 0.00 C ATOM 1009 C ILE A 61 -24.787 17.255 -12.092 1.00 0.00 C ATOM 1010 O ILE A 61 -25.663 16.891 -12.876 1.00 0.00 O ATOM 1011 CB ILE A 61 -22.572 16.180 -12.611 1.00 0.00 C ATOM 1012 CG1 ILE A 61 -22.383 15.628 -11.195 1.00 0.00 C ATOM 1013 CG2 ILE A 61 -21.224 16.389 -13.284 1.00 0.00 C ATOM 1014 CD1 ILE A 61 -21.645 14.306 -11.152 1.00 0.00 C ATOM 0 H ILE A 61 -21.974 18.184 -11.169 1.00 0.00 H new ATOM 0 HA ILE A 61 -23.423 17.891 -13.611 1.00 0.00 H new ATOM 0 HB ILE A 61 -23.146 15.448 -13.179 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -21.836 16.359 -10.599 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -23.361 15.504 -10.729 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -20.672 15.449 -13.294 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -21.377 16.730 -14.308 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -20.655 17.138 -12.733 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -21.548 13.977 -10.117 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -22.201 13.560 -11.720 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -20.653 14.428 -11.588 1.00 0.00 H new ATOM 1026 N GLU A 62 -25.018 17.445 -10.796 1.00 0.00 N ATOM 1027 CA GLU A 62 -26.338 17.203 -10.210 1.00 0.00 C ATOM 1028 C GLU A 62 -27.300 18.348 -10.519 1.00 0.00 C ATOM 1029 O GLU A 62 -28.520 18.194 -10.415 1.00 0.00 O ATOM 1030 CB GLU A 62 -26.220 17.020 -8.698 1.00 0.00 C ATOM 1031 CG GLU A 62 -25.304 15.877 -8.298 1.00 0.00 C ATOM 1032 CD GLU A 62 -25.904 14.504 -8.543 1.00 0.00 C ATOM 1033 OE1 GLU A 62 -25.813 13.992 -9.677 1.00 0.00 O ATOM 1034 OE2 GLU A 62 -26.461 13.917 -7.593 1.00 0.00 O ATOM 0 H GLU A 62 -24.313 17.765 -10.132 1.00 0.00 H new ATOM 0 HA GLU A 62 -26.738 16.291 -10.654 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.849 17.945 -8.256 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -27.212 16.843 -8.282 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -24.369 15.960 -8.853 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -25.057 15.973 -7.241 1.00 0.00 H new ATOM 1041 N GLN A 63 -26.746 19.497 -10.872 1.00 0.00 N ATOM 1042 CA GLN A 63 -27.557 20.640 -11.284 1.00 0.00 C ATOM 1043 C GLN A 63 -28.028 20.477 -12.725 1.00 0.00 C ATOM 1044 O GLN A 63 -27.857 19.421 -13.336 1.00 0.00 O ATOM 1045 CB GLN A 63 -26.774 21.946 -11.156 1.00 0.00 C ATOM 1046 CG GLN A 63 -26.551 22.401 -9.727 1.00 0.00 C ATOM 1047 CD GLN A 63 -25.731 23.672 -9.654 1.00 0.00 C ATOM 1048 OE1 GLN A 63 -26.270 24.776 -9.644 1.00 0.00 O ATOM 1049 NE2 GLN A 63 -24.419 23.526 -9.610 1.00 0.00 N ATOM 0 H GLN A 63 -25.740 19.666 -10.883 1.00 0.00 H new ATOM 0 HA GLN A 63 -28.423 20.680 -10.623 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -25.806 21.825 -11.642 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -27.306 22.729 -11.696 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -27.515 22.564 -9.245 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -26.045 21.612 -9.171 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -24.009 22.592 -9.620 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -23.816 24.347 -9.566 1.00 0.00 H new ATOM 1058 N SER A 64 -28.624 21.528 -13.264 1.00 0.00 N ATOM 1059 CA SER A 64 -29.080 21.516 -14.637 1.00 0.00 C ATOM 1060 C SER A 64 -27.901 21.665 -15.590 1.00 0.00 C ATOM 1061 O SER A 64 -27.404 22.765 -15.796 1.00 0.00 O ATOM 1062 CB SER A 64 -30.095 22.639 -14.866 1.00 0.00 C ATOM 1063 OG SER A 64 -29.577 23.892 -14.439 1.00 0.00 O ATOM 0 H SER A 64 -28.802 22.401 -12.767 1.00 0.00 H new ATOM 0 HA SER A 64 -29.565 20.560 -14.835 1.00 0.00 H new ATOM 0 HB2 SER A 64 -30.353 22.690 -15.924 1.00 0.00 H new ATOM 0 HB3 SER A 64 -31.015 22.418 -14.324 1.00 0.00 H new ATOM 0 HG SER A 64 -28.652 23.987 -14.750 1.00 0.00 H new ATOM 1069 N LYS A 65 -27.449 20.544 -16.146 1.00 0.00 N ATOM 1070 CA LYS A 65 -26.372 20.554 -17.132 1.00 0.00 C ATOM 1071 C LYS A 65 -26.809 21.305 -18.383 1.00 0.00 C ATOM 1072 O LYS A 65 -25.987 21.847 -19.121 1.00 0.00 O ATOM 1073 CB LYS A 65 -25.971 19.124 -17.511 1.00 0.00 C ATOM 1074 CG LYS A 65 -25.257 18.358 -16.407 1.00 0.00 C ATOM 1075 CD LYS A 65 -23.866 18.913 -16.144 1.00 0.00 C ATOM 1076 CE LYS A 65 -22.985 18.841 -17.385 1.00 0.00 C ATOM 1077 NZ LYS A 65 -22.799 17.446 -17.870 1.00 0.00 N ATOM 0 H LYS A 65 -27.813 19.616 -15.930 1.00 0.00 H new ATOM 0 HA LYS A 65 -25.513 21.057 -16.689 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -26.866 18.573 -17.799 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -25.324 19.161 -18.388 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -25.847 18.406 -15.491 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -25.183 17.306 -16.684 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -23.944 19.949 -15.813 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -23.399 18.354 -15.333 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -23.430 19.442 -18.178 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -22.012 19.278 -17.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -22.076 17.432 -18.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -22.493 16.842 -17.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -23.698 17.088 -18.252 1.00 0.00 H new ATOM 1091 N ASN A 66 -28.111 21.318 -18.612 1.00 0.00 N ATOM 1092 CA ASN A 66 -28.684 21.962 -19.780 1.00 0.00 C ATOM 1093 C ASN A 66 -29.503 23.180 -19.344 1.00 0.00 C ATOM 1094 O ASN A 66 -29.388 23.627 -18.207 1.00 0.00 O ATOM 1095 CB ASN A 66 -29.567 20.964 -20.518 1.00 0.00 C ATOM 1096 CG ASN A 66 -29.613 21.216 -22.002 1.00 0.00 C ATOM 1097 OD1 ASN A 66 -29.424 22.341 -22.441 1.00 0.00 O ATOM 1098 ND2 ASN A 66 -29.872 20.178 -22.776 1.00 0.00 N ATOM 0 H ASN A 66 -28.798 20.884 -17.996 1.00 0.00 H new ATOM 0 HA ASN A 66 -27.890 22.297 -20.447 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -29.198 19.955 -20.336 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -30.578 21.011 -20.114 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -29.921 20.296 -23.788 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -30.023 19.258 -22.362 1.00 0.00 H new ATOM 1105 N CYS A 67 -30.334 23.721 -20.233 1.00 0.00 N ATOM 1106 CA CYS A 67 -31.165 24.862 -19.870 1.00 0.00 C ATOM 1107 C CYS A 67 -32.486 24.832 -20.622 1.00 0.00 C ATOM 1108 O CYS A 67 -32.564 24.308 -21.737 1.00 0.00 O ATOM 1109 CB CYS A 67 -30.449 26.186 -20.146 1.00 0.00 C ATOM 1110 SG CYS A 67 -30.731 26.878 -21.814 1.00 0.00 S ATOM 0 H CYS A 67 -30.448 23.394 -21.192 1.00 0.00 H new ATOM 0 HA CYS A 67 -31.361 24.790 -18.800 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -30.771 26.918 -19.405 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -29.378 26.040 -20.005 1.00 0.00 H new ATOM 0 HG CYS A 67 -30.772 25.912 -22.683 1.00 0.00 H new ATOM 1115 N SER A 68 -33.491 25.458 -20.033 1.00 0.00 N ATOM 1116 CA SER A 68 -34.856 25.442 -20.572 1.00 0.00 C ATOM 1117 C SER A 68 -34.941 26.218 -21.894 1.00 0.00 C ATOM 1118 O SER A 68 -35.840 26.003 -22.702 1.00 0.00 O ATOM 1119 CB SER A 68 -35.821 26.029 -19.530 1.00 0.00 C ATOM 1120 OG SER A 68 -37.176 25.920 -19.937 1.00 0.00 O ATOM 0 H SER A 68 -33.393 25.992 -19.170 1.00 0.00 H new ATOM 0 HA SER A 68 -35.139 24.411 -20.783 1.00 0.00 H new ATOM 0 HB2 SER A 68 -35.686 25.513 -18.580 1.00 0.00 H new ATOM 0 HB3 SER A 68 -35.577 27.078 -19.361 1.00 0.00 H new ATOM 0 HG SER A 68 -37.757 26.303 -19.247 1.00 0.00 H new ATOM 1126 N TYR A 69 -33.972 27.099 -22.122 1.00 0.00 N ATOM 1127 CA TYR A 69 -33.941 27.918 -23.330 1.00 0.00 C ATOM 1128 C TYR A 69 -33.642 27.078 -24.572 1.00 0.00 C ATOM 1129 O TYR A 69 -33.794 27.539 -25.698 1.00 0.00 O ATOM 1130 CB TYR A 69 -32.886 29.004 -23.175 1.00 0.00 C ATOM 1131 CG TYR A 69 -33.152 30.237 -24.003 1.00 0.00 C ATOM 1132 CD1 TYR A 69 -34.071 31.188 -23.580 1.00 0.00 C ATOM 1133 CD2 TYR A 69 -32.496 30.449 -25.208 1.00 0.00 C ATOM 1134 CE1 TYR A 69 -34.329 32.313 -24.336 1.00 0.00 C ATOM 1135 CE2 TYR A 69 -32.750 31.568 -25.970 1.00 0.00 C ATOM 1136 CZ TYR A 69 -33.665 32.499 -25.531 1.00 0.00 C ATOM 1137 OH TYR A 69 -33.917 33.618 -26.294 1.00 0.00 O ATOM 0 H TYR A 69 -33.194 27.265 -21.483 1.00 0.00 H new ATOM 0 HA TYR A 69 -34.925 28.368 -23.463 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -32.824 29.290 -22.125 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -31.914 28.595 -23.452 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -34.592 31.045 -22.645 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -31.774 29.724 -25.554 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -35.047 33.044 -23.994 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -32.234 31.715 -26.907 1.00 0.00 H new ATOM 0 HH TYR A 69 -34.172 34.362 -25.709 1.00 0.00 H new ATOM 1147 N CYS A 70 -33.190 25.853 -24.365 1.00 0.00 N ATOM 1148 CA CYS A 70 -32.939 24.950 -25.488 1.00 0.00 C ATOM 1149 C CYS A 70 -33.736 23.661 -25.326 1.00 0.00 C ATOM 1150 O CYS A 70 -34.171 23.062 -26.306 1.00 0.00 O ATOM 1151 CB CYS A 70 -31.449 24.652 -25.630 1.00 0.00 C ATOM 1152 SG CYS A 70 -30.689 23.948 -24.139 1.00 0.00 S ATOM 0 H CYS A 70 -32.990 25.460 -23.445 1.00 0.00 H new ATOM 0 HA CYS A 70 -33.269 25.445 -26.401 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -31.305 23.960 -26.460 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -30.928 25.574 -25.890 1.00 0.00 H new ATOM 0 HG CYS A 70 -31.532 24.011 -23.151 1.00 0.00 H new ATOM 1157 N SER A 71 -33.911 23.239 -24.083 1.00 0.00 N ATOM 1158 CA SER A 71 -34.777 22.120 -23.775 1.00 0.00 C ATOM 1159 C SER A 71 -35.797 22.566 -22.742 1.00 0.00 C ATOM 1160 O SER A 71 -35.477 22.712 -21.561 1.00 0.00 O ATOM 1161 CB SER A 71 -33.958 20.944 -23.248 1.00 0.00 C ATOM 1162 OG SER A 71 -32.958 20.565 -24.181 1.00 0.00 O ATOM 0 H SER A 71 -33.461 23.660 -23.270 1.00 0.00 H new ATOM 0 HA SER A 71 -35.291 21.791 -24.678 1.00 0.00 H new ATOM 0 HB2 SER A 71 -33.493 21.215 -22.300 1.00 0.00 H new ATOM 0 HB3 SER A 71 -34.616 20.098 -23.050 1.00 0.00 H new ATOM 0 HG SER A 71 -32.445 19.811 -23.822 1.00 0.00 H new ATOM 1168 N GLU A 72 -37.016 22.798 -23.197 1.00 0.00 N ATOM 1169 CA GLU A 72 -38.056 23.366 -22.356 1.00 0.00 C ATOM 1170 C GLU A 72 -38.764 22.276 -21.572 1.00 0.00 C ATOM 1171 O GLU A 72 -39.963 22.040 -21.723 1.00 0.00 O ATOM 1172 CB GLU A 72 -39.044 24.145 -23.214 1.00 0.00 C ATOM 1173 CG GLU A 72 -39.983 25.044 -22.427 1.00 0.00 C ATOM 1174 CD GLU A 72 -40.842 25.903 -23.329 1.00 0.00 C ATOM 1175 OE1 GLU A 72 -41.841 25.389 -23.873 1.00 0.00 O ATOM 1176 OE2 GLU A 72 -40.515 27.092 -23.515 1.00 0.00 O ATOM 0 H GLU A 72 -37.312 22.600 -24.153 1.00 0.00 H new ATOM 0 HA GLU A 72 -37.599 24.049 -21.640 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -38.487 24.755 -23.925 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -39.638 23.439 -23.795 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -40.624 24.431 -21.794 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -39.400 25.685 -21.765 1.00 0.00 H new ATOM 1183 N ASP A 73 -37.991 21.600 -20.755 1.00 0.00 N ATOM 1184 CA ASP A 73 -38.519 20.578 -19.874 1.00 0.00 C ATOM 1185 C ASP A 73 -39.023 21.224 -18.590 1.00 0.00 C ATOM 1186 O ASP A 73 -38.401 22.146 -18.061 1.00 0.00 O ATOM 1187 CB ASP A 73 -37.462 19.519 -19.558 1.00 0.00 C ATOM 1188 CG ASP A 73 -38.023 18.364 -18.752 1.00 0.00 C ATOM 1189 OD1 ASP A 73 -38.581 17.424 -19.358 1.00 0.00 O ATOM 1190 OD2 ASP A 73 -37.909 18.390 -17.513 1.00 0.00 O ATOM 0 H ASP A 73 -36.983 21.740 -20.680 1.00 0.00 H new ATOM 0 HA ASP A 73 -39.347 20.079 -20.378 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -37.043 19.139 -20.490 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -36.644 19.980 -19.005 1.00 0.00 H new ATOM 1195 N GLU A 74 -40.153 20.748 -18.108 1.00 0.00 N ATOM 1196 CA GLU A 74 -40.810 21.344 -16.952 1.00 0.00 C ATOM 1197 C GLU A 74 -40.272 20.771 -15.639 1.00 0.00 C ATOM 1198 O GLU A 74 -40.377 21.403 -14.586 1.00 0.00 O ATOM 1199 CB GLU A 74 -42.319 21.113 -17.048 1.00 0.00 C ATOM 1200 CG GLU A 74 -43.120 21.764 -15.936 1.00 0.00 C ATOM 1201 CD GLU A 74 -44.582 21.393 -15.991 1.00 0.00 C ATOM 1202 OE1 GLU A 74 -44.916 20.241 -15.645 1.00 0.00 O ATOM 1203 OE2 GLU A 74 -45.403 22.242 -16.395 1.00 0.00 O ATOM 0 H GLU A 74 -40.642 19.943 -18.500 1.00 0.00 H new ATOM 0 HA GLU A 74 -40.599 22.413 -16.954 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -42.673 21.493 -18.006 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -42.512 20.040 -17.040 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -42.708 21.466 -14.972 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -43.019 22.847 -16.005 1.00 0.00 H new ATOM 1210 N ASN A 75 -39.682 19.587 -15.703 1.00 0.00 N ATOM 1211 CA ASN A 75 -39.239 18.893 -14.498 1.00 0.00 C ATOM 1212 C ASN A 75 -37.802 19.262 -14.145 1.00 0.00 C ATOM 1213 O ASN A 75 -37.441 19.328 -12.971 1.00 0.00 O ATOM 1214 CB ASN A 75 -39.363 17.378 -14.683 1.00 0.00 C ATOM 1215 CG ASN A 75 -38.939 16.600 -13.448 1.00 0.00 C ATOM 1216 OD1 ASN A 75 -39.746 16.349 -12.553 1.00 0.00 O ATOM 1217 ND2 ASN A 75 -37.678 16.198 -13.399 1.00 0.00 N ATOM 0 H ASN A 75 -39.498 19.086 -16.572 1.00 0.00 H new ATOM 0 HA ASN A 75 -39.881 19.206 -13.675 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -40.396 17.129 -14.927 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -38.751 17.068 -15.530 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -37.345 15.660 -12.599 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -37.040 16.426 -14.161 1.00 0.00 H new ATOM 1224 N CYS A 76 -36.989 19.494 -15.168 1.00 0.00 N ATOM 1225 CA CYS A 76 -35.585 19.835 -14.973 1.00 0.00 C ATOM 1226 C CYS A 76 -35.429 21.151 -14.215 1.00 0.00 C ATOM 1227 O CYS A 76 -35.900 22.198 -14.656 1.00 0.00 O ATOM 1228 CB CYS A 76 -34.870 19.915 -16.323 1.00 0.00 C ATOM 1229 SG CYS A 76 -34.917 18.372 -17.263 1.00 0.00 S ATOM 0 H CYS A 76 -37.279 19.452 -16.145 1.00 0.00 H new ATOM 0 HA CYS A 76 -35.130 19.048 -14.372 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -35.325 20.707 -16.918 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -33.830 20.198 -16.157 1.00 0.00 H new ATOM 0 HG CYS A 76 -36.149 17.975 -17.384 1.00 0.00 H new ATOM 1235 N ASN A 77 -34.768 21.080 -13.068 1.00 0.00 N ATOM 1236 CA ASN A 77 -34.525 22.255 -12.244 1.00 0.00 C ATOM 1237 C ASN A 77 -33.386 23.085 -12.822 1.00 0.00 C ATOM 1238 O ASN A 77 -32.214 22.824 -12.554 1.00 0.00 O ATOM 1239 CB ASN A 77 -34.193 21.835 -10.811 1.00 0.00 C ATOM 1240 CG ASN A 77 -33.918 23.014 -9.893 1.00 0.00 C ATOM 1241 OD1 ASN A 77 -34.490 24.093 -10.053 1.00 0.00 O ATOM 1242 ND2 ASN A 77 -33.044 22.812 -8.919 1.00 0.00 N ATOM 0 H ASN A 77 -34.388 20.214 -12.685 1.00 0.00 H new ATOM 0 HA ASN A 77 -35.429 22.864 -12.234 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -35.022 21.254 -10.408 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -33.321 21.181 -10.823 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -32.823 23.565 -8.268 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -32.591 21.903 -8.820 1.00 0.00 H new ATOM 1249 N ASN A 78 -33.740 24.058 -13.648 1.00 0.00 N ATOM 1250 CA ASN A 78 -32.758 24.948 -14.253 1.00 0.00 C ATOM 1251 C ASN A 78 -32.728 26.268 -13.498 1.00 0.00 C ATOM 1252 O ASN A 78 -33.730 26.980 -13.426 1.00 0.00 O ATOM 1253 CB ASN A 78 -33.084 25.171 -15.736 1.00 0.00 C ATOM 1254 CG ASN A 78 -32.042 26.001 -16.480 1.00 0.00 C ATOM 1255 OD1 ASN A 78 -32.364 26.686 -17.456 1.00 0.00 O ATOM 1256 ND2 ASN A 78 -30.787 25.925 -16.059 1.00 0.00 N ATOM 0 H ASN A 78 -34.705 24.253 -13.916 1.00 0.00 H new ATOM 0 HA ASN A 78 -31.771 24.490 -14.191 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -33.180 24.202 -16.226 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -34.052 25.666 -15.815 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -30.054 26.442 -16.545 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -30.555 25.350 -15.249 1.00 0.00 H new ATOM 1263 N LEU A 79 -31.581 26.573 -12.917 1.00 0.00 N ATOM 1264 CA LEU A 79 -31.432 27.776 -12.106 1.00 0.00 C ATOM 1265 C LEU A 79 -31.375 29.011 -12.992 1.00 0.00 C ATOM 1266 O LEU A 79 -32.338 29.776 -13.076 1.00 0.00 O ATOM 1267 CB LEU A 79 -30.171 27.690 -11.236 1.00 0.00 C ATOM 1268 CG LEU A 79 -30.109 26.488 -10.293 1.00 0.00 C ATOM 1269 CD1 LEU A 79 -28.856 26.552 -9.438 1.00 0.00 C ATOM 1270 CD2 LEU A 79 -31.349 26.423 -9.416 1.00 0.00 C ATOM 0 H LEU A 79 -30.736 26.006 -12.990 1.00 0.00 H new ATOM 0 HA LEU A 79 -32.300 27.855 -11.451 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -29.299 27.663 -11.890 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -30.096 28.601 -10.642 1.00 0.00 H new ATOM 0 HG LEU A 79 -30.073 25.581 -10.897 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -28.826 25.690 -8.772 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -27.976 26.545 -10.081 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -28.866 27.467 -8.846 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -31.282 25.560 -8.754 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -31.421 27.333 -8.820 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -32.235 26.330 -10.044 1.00 0.00 H new ATOM 1282 N LEU A 80 -30.245 29.202 -13.653 1.00 0.00 N ATOM 1283 CA LEU A 80 -30.105 30.282 -14.612 1.00 0.00 C ATOM 1284 C LEU A 80 -30.623 29.826 -15.966 1.00 0.00 C ATOM 1285 O LEU A 80 -29.917 29.152 -16.721 1.00 0.00 O ATOM 1286 CB LEU A 80 -28.647 30.754 -14.731 1.00 0.00 C ATOM 1287 CG LEU A 80 -28.090 31.514 -13.521 1.00 0.00 C ATOM 1288 CD1 LEU A 80 -27.817 30.575 -12.357 1.00 0.00 C ATOM 1289 CD2 LEU A 80 -26.825 32.265 -13.908 1.00 0.00 C ATOM 0 H LEU A 80 -29.413 28.623 -13.542 1.00 0.00 H new ATOM 0 HA LEU A 80 -30.693 31.129 -14.259 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -28.017 29.883 -14.911 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -28.563 31.395 -15.609 1.00 0.00 H new ATOM 0 HG LEU A 80 -28.843 32.234 -13.198 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -27.423 31.144 -11.515 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -28.744 30.084 -12.061 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -27.088 29.823 -12.659 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -26.440 32.800 -13.040 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -26.075 31.557 -14.260 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -27.053 32.977 -14.702 1.00 0.00 H new ATOM 1301 N GLU A 81 -31.866 30.165 -16.259 1.00 0.00 N ATOM 1302 CA GLU A 81 -32.480 29.748 -17.503 1.00 0.00 C ATOM 1303 C GLU A 81 -31.893 30.528 -18.663 1.00 0.00 C ATOM 1304 O GLU A 81 -31.916 31.758 -18.680 1.00 0.00 O ATOM 1305 CB GLU A 81 -33.991 29.939 -17.467 1.00 0.00 C ATOM 1306 CG GLU A 81 -34.674 29.465 -18.737 1.00 0.00 C ATOM 1307 CD GLU A 81 -36.103 29.936 -18.836 1.00 0.00 C ATOM 1308 OE1 GLU A 81 -36.315 31.110 -19.195 1.00 0.00 O ATOM 1309 OE2 GLU A 81 -37.016 29.138 -18.553 1.00 0.00 O ATOM 0 H GLU A 81 -32.466 30.726 -15.654 1.00 0.00 H new ATOM 0 HA GLU A 81 -32.273 28.686 -17.637 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -34.401 29.396 -16.615 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -34.216 30.994 -17.311 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -34.116 29.825 -19.601 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -34.651 28.376 -18.773 1.00 0.00 H new ATOM 1316 N GLY A 82 -31.386 29.798 -19.637 1.00 0.00 N ATOM 1317 CA GLY A 82 -30.739 30.422 -20.767 1.00 0.00 C ATOM 1318 C GLY A 82 -29.241 30.308 -20.672 1.00 0.00 C ATOM 1319 O GLY A 82 -28.532 30.629 -21.613 1.00 0.00 O ATOM 0 H GLY A 82 -31.411 28.779 -19.666 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -31.083 29.955 -21.690 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -31.023 31.473 -20.817 1.00 0.00 H new ATOM 1323 N TYR A 83 -28.768 29.821 -19.536 1.00 0.00 N ATOM 1324 CA TYR A 83 -27.344 29.613 -19.311 1.00 0.00 C ATOM 1325 C TYR A 83 -27.076 28.143 -18.992 1.00 0.00 C ATOM 1326 O TYR A 83 -28.005 27.397 -18.674 1.00 0.00 O ATOM 1327 CB TYR A 83 -26.860 30.501 -18.157 1.00 0.00 C ATOM 1328 CG TYR A 83 -26.678 31.959 -18.528 1.00 0.00 C ATOM 1329 CD1 TYR A 83 -27.757 32.750 -18.906 1.00 0.00 C ATOM 1330 CD2 TYR A 83 -25.419 32.544 -18.500 1.00 0.00 C ATOM 1331 CE1 TYR A 83 -27.582 34.078 -19.249 1.00 0.00 C ATOM 1332 CE2 TYR A 83 -25.237 33.869 -18.838 1.00 0.00 C ATOM 1333 CZ TYR A 83 -26.318 34.631 -19.213 1.00 0.00 C ATOM 1334 OH TYR A 83 -26.135 35.949 -19.558 1.00 0.00 O ATOM 0 H TYR A 83 -29.357 29.559 -18.745 1.00 0.00 H new ATOM 0 HA TYR A 83 -26.798 29.883 -20.215 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -27.575 30.433 -17.337 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -25.912 30.111 -17.787 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -28.748 32.320 -18.932 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -24.566 31.950 -18.208 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -28.430 34.679 -19.543 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -24.250 34.306 -18.808 1.00 0.00 H new ATOM 0 HH TYR A 83 -25.447 36.013 -20.253 1.00 0.00 H new ATOM 1344 N HIS A 84 -25.826 27.723 -19.124 1.00 0.00 N ATOM 1345 CA HIS A 84 -25.410 26.376 -18.726 1.00 0.00 C ATOM 1346 C HIS A 84 -24.254 26.476 -17.740 1.00 0.00 C ATOM 1347 O HIS A 84 -23.479 27.438 -17.787 1.00 0.00 O ATOM 1348 CB HIS A 84 -24.968 25.523 -19.928 1.00 0.00 C ATOM 1349 CG HIS A 84 -26.059 25.120 -20.880 1.00 0.00 C ATOM 1350 ND1 HIS A 84 -27.146 25.800 -21.303 1.00 0.00 N flip ATOM 1351 CD2 HIS A 84 -26.046 23.944 -21.605 1.00 0.00 C flip ATOM 1352 CE1 HIS A 84 -27.789 25.073 -22.292 1.00 0.00 C flip ATOM 1353 NE2 HIS A 84 -27.099 23.962 -22.439 1.00 0.00 N flip ATOM 0 H HIS A 84 -25.074 28.297 -19.506 1.00 0.00 H new ATOM 0 HA HIS A 84 -26.271 25.889 -18.268 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -24.212 26.077 -20.485 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -24.488 24.620 -19.552 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -25.318 23.151 -21.517 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -28.678 25.360 -22.834 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -27.332 23.217 -23.096 1.00 0.00 H new ATOM 1361 N PRO A 85 -24.126 25.494 -16.838 1.00 0.00 N ATOM 1362 CA PRO A 85 -23.059 25.473 -15.842 1.00 0.00 C ATOM 1363 C PRO A 85 -21.705 25.173 -16.478 1.00 0.00 C ATOM 1364 O PRO A 85 -21.601 24.358 -17.396 1.00 0.00 O ATOM 1365 CB PRO A 85 -23.484 24.362 -14.880 1.00 0.00 C ATOM 1366 CG PRO A 85 -24.342 23.458 -15.693 1.00 0.00 C ATOM 1367 CD PRO A 85 -25.008 24.320 -16.734 1.00 0.00 C ATOM 0 HA PRO A 85 -22.931 26.434 -15.344 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -22.619 23.832 -14.481 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -24.031 24.765 -14.028 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -23.746 22.675 -16.162 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -25.084 22.962 -15.068 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -25.095 23.800 -17.688 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -26.016 24.603 -16.433 1.00 0.00 H new ATOM 1375 N LYS A 86 -20.675 25.840 -15.991 1.00 0.00 N ATOM 1376 CA LYS A 86 -19.364 25.775 -16.610 1.00 0.00 C ATOM 1377 C LYS A 86 -18.276 25.503 -15.586 1.00 0.00 C ATOM 1378 O LYS A 86 -18.208 26.152 -14.549 1.00 0.00 O ATOM 1379 CB LYS A 86 -19.110 27.097 -17.321 1.00 0.00 C ATOM 1380 CG LYS A 86 -17.744 27.235 -17.969 1.00 0.00 C ATOM 1381 CD LYS A 86 -17.593 28.606 -18.612 1.00 0.00 C ATOM 1382 CE LYS A 86 -16.233 28.782 -19.265 1.00 0.00 C ATOM 1383 NZ LYS A 86 -16.076 30.135 -19.867 1.00 0.00 N ATOM 0 H LYS A 86 -20.722 26.436 -15.164 1.00 0.00 H new ATOM 0 HA LYS A 86 -19.341 24.950 -17.322 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -19.873 27.230 -18.088 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -19.236 27.907 -16.602 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -16.964 27.090 -17.221 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -17.612 26.458 -18.722 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -18.374 28.744 -19.359 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -17.735 29.378 -17.856 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -15.451 28.622 -18.523 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -16.100 28.024 -20.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -15.135 30.214 -20.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -16.806 30.279 -20.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -16.177 30.858 -19.127 1.00 0.00 H new ATOM 1397 N LEU A 87 -17.432 24.540 -15.891 1.00 0.00 N ATOM 1398 CA LEU A 87 -16.311 24.206 -15.036 1.00 0.00 C ATOM 1399 C LEU A 87 -15.118 25.096 -15.359 1.00 0.00 C ATOM 1400 O LEU A 87 -14.706 25.195 -16.513 1.00 0.00 O ATOM 1401 CB LEU A 87 -15.949 22.736 -15.235 1.00 0.00 C ATOM 1402 CG LEU A 87 -16.089 21.840 -14.003 1.00 0.00 C ATOM 1403 CD1 LEU A 87 -17.351 22.177 -13.223 1.00 0.00 C ATOM 1404 CD2 LEU A 87 -16.110 20.384 -14.434 1.00 0.00 C ATOM 0 H LEU A 87 -17.502 23.969 -16.733 1.00 0.00 H new ATOM 0 HA LEU A 87 -16.587 24.371 -13.994 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -16.578 22.331 -16.028 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -14.918 22.680 -15.586 1.00 0.00 H new ATOM 0 HG LEU A 87 -15.235 22.012 -13.348 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -17.426 21.525 -12.353 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -17.310 23.216 -12.896 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -18.223 22.032 -13.861 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -16.210 19.746 -13.556 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -16.954 20.215 -15.103 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -15.182 20.145 -14.953 1.00 0.00 H new ATOM 1416 N VAL A 88 -14.583 25.761 -14.348 1.00 0.00 N ATOM 1417 CA VAL A 88 -13.415 26.615 -14.531 1.00 0.00 C ATOM 1418 C VAL A 88 -12.358 26.319 -13.481 1.00 0.00 C ATOM 1419 O VAL A 88 -12.681 25.996 -12.340 1.00 0.00 O ATOM 1420 CB VAL A 88 -13.770 28.117 -14.461 1.00 0.00 C ATOM 1421 CG1 VAL A 88 -14.710 28.502 -15.586 1.00 0.00 C ATOM 1422 CG2 VAL A 88 -14.383 28.474 -13.116 1.00 0.00 C ATOM 0 H VAL A 88 -14.937 25.728 -13.392 1.00 0.00 H new ATOM 0 HA VAL A 88 -13.029 26.394 -15.526 1.00 0.00 H new ATOM 0 HB VAL A 88 -12.844 28.681 -14.574 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -14.946 29.564 -15.516 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -14.233 28.299 -16.545 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -15.629 27.921 -15.508 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -14.622 29.537 -13.096 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -15.294 27.894 -12.966 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -13.673 28.247 -12.321 1.00 0.00 H new ATOM 1432 N VAL A 89 -11.100 26.423 -13.870 1.00 0.00 N ATOM 1433 CA VAL A 89 -10.006 26.247 -12.935 1.00 0.00 C ATOM 1434 C VAL A 89 -9.546 27.604 -12.407 1.00 0.00 C ATOM 1435 O VAL A 89 -9.164 28.492 -13.172 1.00 0.00 O ATOM 1436 CB VAL A 89 -8.822 25.479 -13.569 1.00 0.00 C ATOM 1437 CG1 VAL A 89 -8.302 26.182 -14.815 1.00 0.00 C ATOM 1438 CG2 VAL A 89 -7.705 25.280 -12.554 1.00 0.00 C ATOM 0 H VAL A 89 -10.812 26.628 -14.827 1.00 0.00 H new ATOM 0 HA VAL A 89 -10.372 25.645 -12.104 1.00 0.00 H new ATOM 0 HB VAL A 89 -9.189 24.499 -13.874 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -7.471 25.614 -15.233 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -9.101 26.253 -15.553 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.961 27.183 -14.552 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.882 24.738 -13.020 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.350 26.251 -12.208 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.082 24.708 -11.706 1.00 0.00 H new ATOM 1448 N ASN A 90 -9.626 27.770 -11.102 1.00 0.00 N ATOM 1449 CA ASN A 90 -9.221 29.008 -10.466 1.00 0.00 C ATOM 1450 C ASN A 90 -8.134 28.730 -9.439 1.00 0.00 C ATOM 1451 O ASN A 90 -8.422 28.339 -8.306 1.00 0.00 O ATOM 1452 CB ASN A 90 -10.418 29.692 -9.799 1.00 0.00 C ATOM 1453 CG ASN A 90 -11.419 30.255 -10.792 1.00 0.00 C ATOM 1454 OD1 ASN A 90 -11.061 30.675 -11.893 1.00 0.00 O ATOM 1455 ND2 ASN A 90 -12.687 30.267 -10.411 1.00 0.00 N ATOM 0 H ASN A 90 -9.970 27.058 -10.458 1.00 0.00 H new ATOM 0 HA ASN A 90 -8.827 29.679 -11.230 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -10.923 28.975 -9.152 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -10.057 30.499 -9.161 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -13.404 30.633 -11.037 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -12.947 29.911 -9.491 1.00 0.00 H new ATOM 1462 N GLY A 91 -6.886 28.908 -9.849 1.00 0.00 N ATOM 1463 CA GLY A 91 -5.770 28.664 -8.957 1.00 0.00 C ATOM 1464 C GLY A 91 -5.534 27.186 -8.729 1.00 0.00 C ATOM 1465 O GLY A 91 -5.008 26.495 -9.600 1.00 0.00 O ATOM 0 H GLY A 91 -6.626 29.218 -10.785 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -4.869 29.114 -9.373 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -5.958 29.152 -8.001 1.00 0.00 H new ATOM 1469 N ARG A 92 -5.931 26.698 -7.563 1.00 0.00 N ATOM 1470 CA ARG A 92 -5.770 25.285 -7.233 1.00 0.00 C ATOM 1471 C ARG A 92 -7.123 24.608 -7.033 1.00 0.00 C ATOM 1472 O ARG A 92 -7.188 23.442 -6.646 1.00 0.00 O ATOM 1473 CB ARG A 92 -4.919 25.109 -5.972 1.00 0.00 C ATOM 1474 CG ARG A 92 -3.446 25.455 -6.148 1.00 0.00 C ATOM 1475 CD ARG A 92 -2.759 24.538 -7.153 1.00 0.00 C ATOM 1476 NE ARG A 92 -2.534 25.199 -8.439 1.00 0.00 N ATOM 1477 CZ ARG A 92 -2.024 24.595 -9.514 1.00 0.00 C ATOM 1478 NH1 ARG A 92 -1.718 23.302 -9.477 1.00 0.00 N ATOM 1479 NH2 ARG A 92 -1.820 25.289 -10.627 1.00 0.00 N ATOM 0 H ARG A 92 -6.367 27.257 -6.829 1.00 0.00 H new ATOM 0 HA ARG A 92 -5.261 24.813 -8.073 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -5.333 25.733 -5.180 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -4.998 24.075 -5.637 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -3.354 26.489 -6.479 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -2.939 25.382 -5.186 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -1.804 24.205 -6.745 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -3.368 23.647 -7.306 1.00 0.00 H new ATOM 0 HE ARG A 92 -2.783 26.185 -8.519 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -1.873 22.766 -8.623 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -1.328 22.846 -10.302 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -2.053 26.282 -10.659 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -1.430 24.830 -11.450 1.00 0.00 H new ATOM 1493 N SER A 93 -8.199 25.336 -7.295 1.00 0.00 N ATOM 1494 CA SER A 93 -9.539 24.791 -7.132 1.00 0.00 C ATOM 1495 C SER A 93 -10.392 25.031 -8.376 1.00 0.00 C ATOM 1496 O SER A 93 -10.082 25.892 -9.201 1.00 0.00 O ATOM 1497 CB SER A 93 -10.201 25.383 -5.883 1.00 0.00 C ATOM 1498 OG SER A 93 -9.834 26.742 -5.694 1.00 0.00 O ATOM 0 H SER A 93 -8.171 26.302 -7.620 1.00 0.00 H new ATOM 0 HA SER A 93 -9.457 23.712 -7.001 1.00 0.00 H new ATOM 0 HB2 SER A 93 -11.285 25.307 -5.974 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.913 24.802 -5.007 1.00 0.00 H new ATOM 0 HG SER A 93 -10.274 27.091 -4.891 1.00 0.00 H new ATOM 1504 N ILE A 94 -11.451 24.246 -8.514 1.00 0.00 N ATOM 1505 CA ILE A 94 -12.333 24.317 -9.670 1.00 0.00 C ATOM 1506 C ILE A 94 -13.687 24.890 -9.257 1.00 0.00 C ATOM 1507 O ILE A 94 -14.215 24.542 -8.203 1.00 0.00 O ATOM 1508 CB ILE A 94 -12.513 22.910 -10.287 1.00 0.00 C ATOM 1509 CG1 ILE A 94 -11.139 22.332 -10.650 1.00 0.00 C ATOM 1510 CG2 ILE A 94 -13.414 22.959 -11.512 1.00 0.00 C ATOM 1511 CD1 ILE A 94 -11.153 20.861 -10.996 1.00 0.00 C ATOM 0 H ILE A 94 -11.723 23.542 -7.828 1.00 0.00 H new ATOM 0 HA ILE A 94 -11.887 24.972 -10.418 1.00 0.00 H new ATOM 0 HB ILE A 94 -12.993 22.264 -9.552 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -10.736 22.888 -11.497 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -10.459 22.490 -9.813 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -13.522 21.956 -11.924 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -14.394 23.342 -11.228 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -12.972 23.614 -12.263 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -10.142 20.535 -11.240 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -11.523 20.290 -10.144 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -11.804 20.695 -11.854 1.00 0.00 H new ATOM 1523 N ASP A 95 -14.242 25.775 -10.078 1.00 0.00 N ATOM 1524 CA ASP A 95 -15.487 26.452 -9.740 1.00 0.00 C ATOM 1525 C ASP A 95 -16.505 26.292 -10.859 1.00 0.00 C ATOM 1526 O ASP A 95 -16.219 25.682 -11.893 1.00 0.00 O ATOM 1527 CB ASP A 95 -15.257 27.943 -9.484 1.00 0.00 C ATOM 1528 CG ASP A 95 -16.135 28.471 -8.362 1.00 0.00 C ATOM 1529 OD1 ASP A 95 -17.352 28.167 -8.351 1.00 0.00 O ATOM 1530 OD2 ASP A 95 -15.618 29.192 -7.485 1.00 0.00 O ATOM 0 H ASP A 95 -13.849 26.040 -10.981 1.00 0.00 H new ATOM 0 HA ASP A 95 -15.869 25.991 -8.829 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -14.209 28.110 -9.234 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -15.460 28.503 -10.397 1.00 0.00 H new ATOM 1535 N ILE A 96 -17.688 26.853 -10.646 1.00 0.00 N ATOM 1536 CA ILE A 96 -18.788 26.719 -11.583 1.00 0.00 C ATOM 1537 C ILE A 96 -19.290 28.084 -12.043 1.00 0.00 C ATOM 1538 O ILE A 96 -19.838 28.857 -11.258 1.00 0.00 O ATOM 1539 CB ILE A 96 -19.951 25.939 -10.946 1.00 0.00 C ATOM 1540 CG1 ILE A 96 -19.441 24.619 -10.372 1.00 0.00 C ATOM 1541 CG2 ILE A 96 -21.051 25.687 -11.969 1.00 0.00 C ATOM 1542 CD1 ILE A 96 -20.418 23.942 -9.446 1.00 0.00 C ATOM 0 H ILE A 96 -17.908 27.411 -9.821 1.00 0.00 H new ATOM 0 HA ILE A 96 -18.415 26.171 -12.448 1.00 0.00 H new ATOM 0 HB ILE A 96 -20.371 26.536 -10.136 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -19.205 23.943 -11.194 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -18.511 24.803 -9.833 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -21.865 25.134 -11.500 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -21.427 26.640 -12.341 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -20.649 25.106 -12.799 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -19.986 23.011 -9.078 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -20.636 24.599 -8.604 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -21.340 23.726 -9.985 1.00 0.00 H new ATOM 1554 N GLU A 97 -19.077 28.371 -13.315 1.00 0.00 N ATOM 1555 CA GLU A 97 -19.587 29.582 -13.940 1.00 0.00 C ATOM 1556 C GLU A 97 -20.867 29.256 -14.697 1.00 0.00 C ATOM 1557 O GLU A 97 -21.355 28.128 -14.642 1.00 0.00 O ATOM 1558 CB GLU A 97 -18.549 30.140 -14.914 1.00 0.00 C ATOM 1559 CG GLU A 97 -17.220 30.489 -14.271 1.00 0.00 C ATOM 1560 CD GLU A 97 -17.111 31.949 -13.900 1.00 0.00 C ATOM 1561 OE1 GLU A 97 -16.873 32.776 -14.805 1.00 0.00 O ATOM 1562 OE2 GLU A 97 -17.237 32.278 -12.702 1.00 0.00 O ATOM 0 H GLU A 97 -18.545 27.771 -13.946 1.00 0.00 H new ATOM 0 HA GLU A 97 -19.793 30.326 -13.170 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -18.377 29.408 -15.703 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -18.956 31.033 -15.390 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -17.084 29.881 -13.376 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -16.412 30.232 -14.956 1.00 0.00 H new ATOM 1569 N TYR A 98 -21.400 30.236 -15.404 1.00 0.00 N ATOM 1570 CA TYR A 98 -22.551 30.022 -16.266 1.00 0.00 C ATOM 1571 C TYR A 98 -22.381 30.794 -17.562 1.00 0.00 C ATOM 1572 O TYR A 98 -22.171 32.006 -17.544 1.00 0.00 O ATOM 1573 CB TYR A 98 -23.845 30.451 -15.571 1.00 0.00 C ATOM 1574 CG TYR A 98 -24.623 29.312 -14.946 1.00 0.00 C ATOM 1575 CD1 TYR A 98 -24.328 28.862 -13.666 1.00 0.00 C ATOM 1576 CD2 TYR A 98 -25.666 28.698 -15.634 1.00 0.00 C ATOM 1577 CE1 TYR A 98 -25.045 27.830 -13.089 1.00 0.00 C ATOM 1578 CE2 TYR A 98 -26.385 27.664 -15.064 1.00 0.00 C ATOM 1579 CZ TYR A 98 -26.072 27.235 -13.791 1.00 0.00 C ATOM 1580 OH TYR A 98 -26.790 26.209 -13.220 1.00 0.00 O ATOM 0 H TYR A 98 -21.052 31.195 -15.398 1.00 0.00 H new ATOM 0 HA TYR A 98 -22.617 28.957 -16.486 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -23.604 31.179 -14.796 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -24.483 30.957 -16.296 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -23.525 29.326 -13.112 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -25.917 29.035 -16.629 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -24.802 27.491 -12.093 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -27.188 27.194 -15.613 1.00 0.00 H new ATOM 0 HH TYR A 98 -27.478 25.902 -13.847 1.00 0.00 H new ATOM 1590 N TYR A 99 -22.454 30.093 -18.681 1.00 0.00 N ATOM 1591 CA TYR A 99 -22.381 30.735 -19.986 1.00 0.00 C ATOM 1592 C TYR A 99 -23.730 30.660 -20.665 1.00 0.00 C ATOM 1593 O TYR A 99 -24.483 29.705 -20.469 1.00 0.00 O ATOM 1594 CB TYR A 99 -21.306 30.094 -20.875 1.00 0.00 C ATOM 1595 CG TYR A 99 -21.442 28.597 -21.025 1.00 0.00 C ATOM 1596 CD1 TYR A 99 -20.832 27.756 -20.119 1.00 0.00 C ATOM 1597 CD2 TYR A 99 -22.177 28.030 -22.061 1.00 0.00 C ATOM 1598 CE1 TYR A 99 -20.941 26.385 -20.226 1.00 0.00 C ATOM 1599 CE2 TYR A 99 -22.294 26.657 -22.181 1.00 0.00 C ATOM 1600 CZ TYR A 99 -21.673 25.837 -21.258 1.00 0.00 C ATOM 1601 OH TYR A 99 -21.781 24.466 -21.374 1.00 0.00 O ATOM 0 H TYR A 99 -22.564 29.079 -18.714 1.00 0.00 H new ATOM 0 HA TYR A 99 -22.103 31.778 -19.834 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -21.346 30.553 -21.863 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -20.324 30.319 -20.459 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -20.257 28.179 -19.309 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -22.663 28.671 -22.782 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -20.455 25.744 -19.505 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -22.867 26.229 -22.990 1.00 0.00 H new ATOM 0 HH TYR A 99 -22.332 24.246 -22.154 1.00 0.00 H new ATOM 1611 N GLU A 100 -24.040 31.677 -21.442 1.00 0.00 N ATOM 1612 CA GLU A 100 -25.300 31.724 -22.148 1.00 0.00 C ATOM 1613 C GLU A 100 -25.367 30.631 -23.201 1.00 0.00 C ATOM 1614 O GLU A 100 -24.405 30.377 -23.926 1.00 0.00 O ATOM 1615 CB GLU A 100 -25.539 33.101 -22.776 1.00 0.00 C ATOM 1616 CG GLU A 100 -24.279 33.776 -23.287 1.00 0.00 C ATOM 1617 CD GLU A 100 -23.492 34.458 -22.181 1.00 0.00 C ATOM 1618 OE1 GLU A 100 -23.926 35.536 -21.714 1.00 0.00 O ATOM 1619 OE2 GLU A 100 -22.445 33.914 -21.763 1.00 0.00 O ATOM 0 H GLU A 100 -23.435 32.483 -21.600 1.00 0.00 H new ATOM 0 HA GLU A 100 -26.094 31.551 -21.422 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -26.242 32.995 -23.602 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -26.011 33.748 -22.037 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -23.646 33.034 -23.774 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -24.547 34.513 -24.044 1.00 0.00 H new ATOM 1626 N CYS A 101 -26.510 29.974 -23.226 1.00 0.00 N ATOM 1627 CA CYS A 101 -26.801 28.887 -24.148 1.00 0.00 C ATOM 1628 C CYS A 101 -26.356 29.215 -25.573 1.00 0.00 C ATOM 1629 O CYS A 101 -26.774 30.222 -26.147 1.00 0.00 O ATOM 1630 CB CYS A 101 -28.302 28.607 -24.126 1.00 0.00 C ATOM 1631 SG CYS A 101 -28.795 27.075 -24.971 1.00 0.00 S ATOM 0 H CYS A 101 -27.281 30.184 -22.593 1.00 0.00 H new ATOM 0 HA CYS A 101 -26.245 28.006 -23.827 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -28.635 28.558 -23.089 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -28.822 29.446 -24.589 1.00 0.00 H new ATOM 0 HG CYS A 101 -29.636 26.420 -24.227 1.00 0.00 H new ATOM 1636 N PRO A 102 -25.520 28.340 -26.162 1.00 0.00 N ATOM 1637 CA PRO A 102 -24.977 28.527 -27.515 1.00 0.00 C ATOM 1638 C PRO A 102 -26.056 28.629 -28.595 1.00 0.00 C ATOM 1639 O PRO A 102 -25.763 28.980 -29.733 1.00 0.00 O ATOM 1640 CB PRO A 102 -24.114 27.278 -27.746 1.00 0.00 C ATOM 1641 CG PRO A 102 -24.554 26.295 -26.716 1.00 0.00 C ATOM 1642 CD PRO A 102 -25.008 27.107 -25.540 1.00 0.00 C ATOM 0 HA PRO A 102 -24.427 29.465 -27.584 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -24.256 26.883 -28.752 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -23.054 27.508 -27.641 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -25.362 25.669 -27.094 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -23.738 25.628 -26.438 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -25.781 26.592 -24.969 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -24.188 27.313 -24.852 1.00 0.00 H new ATOM 1650 N VAL A 103 -27.302 28.332 -28.233 1.00 0.00 N ATOM 1651 CA VAL A 103 -28.417 28.431 -29.174 1.00 0.00 C ATOM 1652 C VAL A 103 -28.663 29.894 -29.569 1.00 0.00 C ATOM 1653 O VAL A 103 -29.304 30.179 -30.580 1.00 0.00 O ATOM 1654 CB VAL A 103 -29.715 27.812 -28.591 1.00 0.00 C ATOM 1655 CG1 VAL A 103 -30.282 28.667 -27.469 1.00 0.00 C ATOM 1656 CG2 VAL A 103 -30.757 27.598 -29.681 1.00 0.00 C ATOM 0 H VAL A 103 -27.565 28.022 -27.298 1.00 0.00 H new ATOM 0 HA VAL A 103 -28.144 27.863 -30.063 1.00 0.00 H new ATOM 0 HB VAL A 103 -29.454 26.840 -28.173 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -31.191 28.205 -27.083 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -29.548 28.749 -26.667 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -30.515 29.661 -27.851 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -31.656 27.163 -29.244 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -31.003 28.555 -30.142 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -30.358 26.923 -30.438 1.00 0.00 H new ATOM 1666 N LYS A 104 -28.144 30.821 -28.768 1.00 0.00 N ATOM 1667 CA LYS A 104 -28.249 32.240 -29.082 1.00 0.00 C ATOM 1668 C LYS A 104 -27.230 32.639 -30.148 1.00 0.00 C ATOM 1669 O LYS A 104 -27.426 33.614 -30.869 1.00 0.00 O ATOM 1670 CB LYS A 104 -28.063 33.089 -27.820 1.00 0.00 C ATOM 1671 CG LYS A 104 -29.257 33.065 -26.877 1.00 0.00 C ATOM 1672 CD LYS A 104 -30.521 33.572 -27.562 1.00 0.00 C ATOM 1673 CE LYS A 104 -30.412 35.037 -27.969 1.00 0.00 C ATOM 1674 NZ LYS A 104 -30.294 35.942 -26.796 1.00 0.00 N ATOM 0 H LYS A 104 -27.649 30.615 -27.900 1.00 0.00 H new ATOM 0 HA LYS A 104 -29.248 32.424 -29.478 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -27.182 32.736 -27.284 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -27.866 34.120 -28.114 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -29.419 32.048 -26.519 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -29.044 33.680 -26.003 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -30.720 32.966 -28.446 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -31.371 33.446 -26.891 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -29.544 35.168 -28.615 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -31.289 35.316 -28.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -30.359 36.931 -27.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -31.063 35.742 -26.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -29.378 35.788 -26.329 1.00 0.00 H new