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 67 CYS SG : rot -38:sc= 0.418 USER MOD Set 1.2: A 70 CYS SG : rot -24:sc= 1.39 USER MOD Set 1.3: A 84 HIS : no HE2:sc= -2.92! K(o=-1.4!,f=0.044) USER MOD Set 1.4: A 101 CYS SG : rot 88:sc= -0.261 USER MOD Set 2.1: A 69 TYR OH : rot 150:sc= 0.503 USER MOD Set 2.2: A 104 LYS NZ :NH3+ -164:sc= 0.451 (180deg=-0.567) USER MOD Set 3.1: A 66 ASN : amide:sc= 0.171 K(o=1,f=-1.8!) USER MOD Set 3.2: A 76 CYS SG : rot -144:sc= 0.853 USER MOD Set 4.1: A 64 SER OG : rot -49:sc= -0.187 USER MOD Set 4.2: A 78 ASN : amide:sc= -1.24 K(o=-1.4,f=-3.8!) USER MOD Single : A 18 GLN : amide:sc= -3.18! C(o=-3.2!,f=-3.2!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.636 K(o=-0.64,f=-0.063) USER MOD Single : A 24 MET CE :methyl -159:sc= -0.207 (180deg=-0.839) USER MOD Single : A 25 LYS NZ :NH3+ 137:sc= 1.34 (180deg=0.998) USER MOD Single : A 27 LYS NZ :NH3+ -153:sc= 0.294 (180deg=-0.642!) USER MOD Single : A 29 MET CE :methyl 164:sc= -0.0608 (180deg=-0.428) USER MOD Single : A 30 LYS NZ :NH3+ -149:sc= 0.817 (180deg=-0.136!) USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 35 GLN : amide:sc= 0.157 X(o=0.16,f=-0.34) USER MOD Single : A 39 LYS NZ :NH3+ 166:sc= -0.0114 (180deg=-0.197) USER MOD Single : A 41 ASN : amide:sc= 0.769 K(o=0.77,f=-0.79) USER MOD Single : A 47 GLN : amide:sc= -0.975 K(o=-0.97,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl -159:sc= -0.0742 (180deg=-1.07) USER MOD Single : A 52 LYS NZ :NH3+ -158:sc= -0.11 (180deg=-0.526) USER MOD Single : A 53 SER OG : rot 88:sc= 0.985 USER MOD Single : A 55 ASN : amide:sc= 0.0183 K(o=0.018,f=-5.7!) USER MOD Single : A 56 LYS NZ :NH3+ -169:sc= 1.27 (180deg=1.18) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 110:sc= -0.299 USER MOD Single : A 63 GLN : amide:sc= -4.19! K(o=-4.2!,f=-1.5) USER MOD Single : A 65 LYS NZ :NH3+ -164:sc= 0.425 (180deg=0.3) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -95:sc= 0.754 USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.081) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 163:sc= 0.951 (180deg=0.696) USER MOD Single : A 90 ASN : amide:sc= 0.588 K(o=0.59,f=-0.89) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 30:sc= -0.0235 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 225 N ASP A 16 -24.208 1.764 3.310 1.00 0.00 N ATOM 226 CA ASP A 16 -24.713 2.843 2.473 1.00 0.00 C ATOM 227 C ASP A 16 -23.688 3.965 2.372 1.00 0.00 C ATOM 228 O ASP A 16 -23.692 4.737 1.412 1.00 0.00 O ATOM 229 CB ASP A 16 -26.042 3.384 3.020 1.00 0.00 C ATOM 230 CG ASP A 16 -27.211 2.441 2.781 1.00 0.00 C ATOM 231 OD1 ASP A 16 -27.776 2.457 1.666 1.00 0.00 O ATOM 232 OD2 ASP A 16 -27.577 1.683 3.702 1.00 0.00 O ATOM 0 HA ASP A 16 -24.891 2.442 1.475 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -25.941 3.565 4.090 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -26.256 4.345 2.553 1.00 0.00 H new ATOM 237 N PHE A 17 -22.806 4.041 3.364 1.00 0.00 N ATOM 238 CA PHE A 17 -21.755 5.050 3.381 1.00 0.00 C ATOM 239 C PHE A 17 -20.790 4.842 2.218 1.00 0.00 C ATOM 240 O PHE A 17 -20.477 5.780 1.486 1.00 0.00 O ATOM 241 CB PHE A 17 -20.998 5.011 4.713 1.00 0.00 C ATOM 242 CG PHE A 17 -19.970 6.098 4.860 1.00 0.00 C ATOM 243 CD1 PHE A 17 -20.335 7.359 5.308 1.00 0.00 C ATOM 244 CD2 PHE A 17 -18.640 5.860 4.550 1.00 0.00 C ATOM 245 CE1 PHE A 17 -19.392 8.361 5.444 1.00 0.00 C ATOM 246 CE2 PHE A 17 -17.693 6.857 4.684 1.00 0.00 C ATOM 247 CZ PHE A 17 -18.069 8.108 5.130 1.00 0.00 C ATOM 0 H PHE A 17 -22.799 3.414 4.168 1.00 0.00 H new ATOM 0 HA PHE A 17 -22.220 6.030 3.272 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -21.715 5.090 5.530 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -20.506 4.043 4.812 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -21.367 7.560 5.553 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -18.340 4.883 4.199 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -19.688 9.339 5.795 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -16.660 6.658 4.440 1.00 0.00 H new ATOM 0 HZ PHE A 17 -17.330 8.889 5.234 1.00 0.00 H new ATOM 257 N GLN A 18 -20.336 3.605 2.036 1.00 0.00 N ATOM 258 CA GLN A 18 -19.384 3.298 0.975 1.00 0.00 C ATOM 259 C GLN A 18 -20.069 3.391 -0.383 1.00 0.00 C ATOM 260 O GLN A 18 -19.454 3.792 -1.372 1.00 0.00 O ATOM 261 CB GLN A 18 -18.746 1.915 1.195 1.00 0.00 C ATOM 262 CG GLN A 18 -19.683 0.719 0.996 1.00 0.00 C ATOM 263 CD GLN A 18 -19.812 0.251 -0.449 1.00 0.00 C ATOM 264 OE1 GLN A 18 -20.863 -0.243 -0.852 1.00 0.00 O ATOM 265 NE2 GLN A 18 -18.749 0.374 -1.232 1.00 0.00 N ATOM 0 H GLN A 18 -20.610 2.804 2.606 1.00 0.00 H new ATOM 0 HA GLN A 18 -18.579 4.032 0.999 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -17.902 1.811 0.513 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -18.345 1.876 2.208 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -19.325 -0.112 1.603 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -20.673 0.983 1.369 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -17.892 0.789 -0.867 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -18.789 0.054 -2.200 1.00 0.00 H new ATOM 274 N LYS A 19 -21.354 3.047 -0.410 1.00 0.00 N ATOM 275 CA LYS A 19 -22.152 3.132 -1.622 1.00 0.00 C ATOM 276 C LYS A 19 -22.152 4.550 -2.169 1.00 0.00 C ATOM 277 O LYS A 19 -21.758 4.781 -3.306 1.00 0.00 O ATOM 278 CB LYS A 19 -23.588 2.685 -1.340 1.00 0.00 C ATOM 279 CG LYS A 19 -23.779 1.178 -1.340 1.00 0.00 C ATOM 280 CD LYS A 19 -24.427 0.703 -2.632 1.00 0.00 C ATOM 281 CE LYS A 19 -25.817 1.300 -2.803 1.00 0.00 C ATOM 282 NZ LYS A 19 -26.442 0.927 -4.103 1.00 0.00 N ATOM 0 H LYS A 19 -21.865 2.704 0.403 1.00 0.00 H new ATOM 0 HA LYS A 19 -21.710 2.472 -2.368 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -23.897 3.080 -0.372 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -24.248 3.124 -2.088 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -22.814 0.687 -1.213 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -24.399 0.888 -0.492 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -23.802 0.983 -3.480 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -24.493 -0.385 -2.630 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -26.456 0.964 -1.987 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -25.754 2.386 -2.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -27.386 1.358 -4.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -25.848 1.270 -4.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -26.529 -0.108 -4.162 1.00 0.00 H new ATOM 296 N ARG A 20 -22.554 5.502 -1.335 1.00 0.00 N ATOM 297 CA ARG A 20 -22.663 6.889 -1.767 1.00 0.00 C ATOM 298 C ARG A 20 -21.291 7.500 -2.025 1.00 0.00 C ATOM 299 O ARG A 20 -21.163 8.423 -2.828 1.00 0.00 O ATOM 300 CB ARG A 20 -23.444 7.721 -0.744 1.00 0.00 C ATOM 301 CG ARG A 20 -22.867 7.705 0.661 1.00 0.00 C ATOM 302 CD ARG A 20 -23.782 8.419 1.648 1.00 0.00 C ATOM 303 NE ARG A 20 -23.792 9.873 1.465 1.00 0.00 N ATOM 304 CZ ARG A 20 -24.700 10.543 0.752 1.00 0.00 C ATOM 305 NH1 ARG A 20 -25.662 9.893 0.103 1.00 0.00 N ATOM 306 NH2 ARG A 20 -24.644 11.867 0.691 1.00 0.00 N ATOM 0 H ARG A 20 -22.809 5.340 -0.361 1.00 0.00 H new ATOM 0 HA ARG A 20 -23.214 6.899 -2.707 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -23.487 8.753 -1.092 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -24.470 7.354 -0.705 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -22.717 6.674 0.982 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -21.888 8.184 0.659 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -24.797 8.037 1.537 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -23.463 8.188 2.664 1.00 0.00 H new ATOM 0 HE ARG A 20 -23.052 10.412 1.915 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -25.710 8.875 0.148 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -26.352 10.412 -0.440 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -23.909 12.370 1.188 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -25.336 12.382 0.147 1.00 0.00 H new ATOM 320 N LEU A 21 -20.268 6.968 -1.365 1.00 0.00 N ATOM 321 CA LEU A 21 -18.907 7.455 -1.550 1.00 0.00 C ATOM 322 C LEU A 21 -18.387 7.111 -2.946 1.00 0.00 C ATOM 323 O LEU A 21 -17.914 7.985 -3.682 1.00 0.00 O ATOM 324 CB LEU A 21 -17.995 6.850 -0.478 1.00 0.00 C ATOM 325 CG LEU A 21 -16.495 7.035 -0.706 1.00 0.00 C ATOM 326 CD1 LEU A 21 -16.121 8.512 -0.683 1.00 0.00 C ATOM 327 CD2 LEU A 21 -15.696 6.264 0.334 1.00 0.00 C ATOM 0 H LEU A 21 -20.356 6.201 -0.698 1.00 0.00 H new ATOM 0 HA LEU A 21 -18.909 8.541 -1.452 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -18.255 7.290 0.485 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -18.205 5.783 -0.408 1.00 0.00 H new ATOM 0 HG LEU A 21 -16.250 6.638 -1.691 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -15.049 8.618 -0.847 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -16.663 9.037 -1.470 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -16.384 8.939 0.285 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -14.631 6.408 0.155 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -15.949 6.627 1.330 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -15.935 5.203 0.263 1.00 0.00 H new ATOM 339 N GLU A 22 -18.512 5.846 -3.328 1.00 0.00 N ATOM 340 CA GLU A 22 -18.078 5.415 -4.649 1.00 0.00 C ATOM 341 C GLU A 22 -19.043 5.920 -5.719 1.00 0.00 C ATOM 342 O GLU A 22 -18.642 6.196 -6.845 1.00 0.00 O ATOM 343 CB GLU A 22 -17.948 3.890 -4.719 1.00 0.00 C ATOM 344 CG GLU A 22 -16.909 3.324 -3.761 1.00 0.00 C ATOM 345 CD GLU A 22 -16.504 1.902 -4.101 1.00 0.00 C ATOM 346 OE1 GLU A 22 -15.542 1.728 -4.879 1.00 0.00 O ATOM 347 OE2 GLU A 22 -17.130 0.954 -3.583 1.00 0.00 O ATOM 0 H GLU A 22 -18.907 5.107 -2.747 1.00 0.00 H new ATOM 0 HA GLU A 22 -17.094 5.844 -4.836 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -18.916 3.440 -4.499 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -17.687 3.602 -5.737 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -16.025 3.961 -3.774 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -17.306 3.351 -2.746 1.00 0.00 H new ATOM 354 N GLN A 23 -20.312 6.054 -5.344 1.00 0.00 N ATOM 355 CA GLN A 23 -21.345 6.564 -6.243 1.00 0.00 C ATOM 356 C GLN A 23 -21.033 7.975 -6.718 1.00 0.00 C ATOM 357 O GLN A 23 -20.971 8.233 -7.919 1.00 0.00 O ATOM 358 CB GLN A 23 -22.696 6.557 -5.540 1.00 0.00 C ATOM 359 CG GLN A 23 -23.532 5.327 -5.852 1.00 0.00 C ATOM 360 CD GLN A 23 -24.754 5.199 -4.960 1.00 0.00 C ATOM 361 OE1 GLN A 23 -25.211 4.092 -4.677 1.00 0.00 O ATOM 362 NE2 GLN A 23 -25.292 6.325 -4.514 1.00 0.00 N ATOM 0 H GLN A 23 -20.653 5.814 -4.413 1.00 0.00 H new ATOM 0 HA GLN A 23 -21.373 5.910 -7.114 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -22.537 6.616 -4.463 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -23.253 7.448 -5.829 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -23.852 5.366 -6.893 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -22.913 4.436 -5.742 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -24.883 7.223 -4.772 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -26.115 6.294 -3.913 1.00 0.00 H new ATOM 371 N MET A 24 -20.862 8.890 -5.771 1.00 0.00 N ATOM 372 CA MET A 24 -20.553 10.275 -6.104 1.00 0.00 C ATOM 373 C MET A 24 -19.279 10.368 -6.941 1.00 0.00 C ATOM 374 O MET A 24 -19.236 11.112 -7.919 1.00 0.00 O ATOM 375 CB MET A 24 -20.436 11.147 -4.846 1.00 0.00 C ATOM 376 CG MET A 24 -19.297 10.773 -3.918 1.00 0.00 C ATOM 377 SD MET A 24 -19.214 11.834 -2.461 1.00 0.00 S ATOM 378 CE MET A 24 -18.974 13.437 -3.224 1.00 0.00 C ATOM 0 H MET A 24 -20.932 8.699 -4.771 1.00 0.00 H new ATOM 0 HA MET A 24 -21.383 10.657 -6.698 1.00 0.00 H new ATOM 0 HB2 MET A 24 -20.311 12.186 -5.151 1.00 0.00 H new ATOM 0 HB3 MET A 24 -21.372 11.088 -4.291 1.00 0.00 H new ATOM 0 HG2 MET A 24 -19.416 9.737 -3.602 1.00 0.00 H new ATOM 0 HG3 MET A 24 -18.355 10.834 -4.462 1.00 0.00 H new ATOM 0 HE1 MET A 24 -18.540 14.124 -2.498 1.00 0.00 H new ATOM 0 HE2 MET A 24 -18.302 13.337 -4.076 1.00 0.00 H new ATOM 0 HE3 MET A 24 -19.934 13.826 -3.563 1.00 0.00 H new ATOM 388 N LYS A 25 -18.254 9.607 -6.564 1.00 0.00 N ATOM 389 CA LYS A 25 -17.003 9.581 -7.315 1.00 0.00 C ATOM 390 C LYS A 25 -17.229 9.042 -8.729 1.00 0.00 C ATOM 391 O LYS A 25 -16.662 9.554 -9.697 1.00 0.00 O ATOM 392 CB LYS A 25 -15.966 8.734 -6.567 1.00 0.00 C ATOM 393 CG LYS A 25 -14.530 8.921 -7.044 1.00 0.00 C ATOM 394 CD LYS A 25 -14.166 10.395 -7.133 1.00 0.00 C ATOM 395 CE LYS A 25 -12.670 10.635 -6.986 1.00 0.00 C ATOM 396 NZ LYS A 25 -11.858 9.765 -7.879 1.00 0.00 N ATOM 0 H LYS A 25 -18.266 9.001 -5.744 1.00 0.00 H new ATOM 0 HA LYS A 25 -16.625 10.600 -7.405 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -16.017 8.976 -5.505 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -16.234 7.682 -6.668 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -13.848 8.416 -6.359 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -14.405 8.453 -8.021 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -14.502 10.792 -8.091 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -14.697 10.945 -6.356 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.451 11.680 -7.206 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -12.378 10.459 -5.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.096 10.326 -8.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.445 8.988 -7.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.465 9.372 -8.626 1.00 0.00 H new ATOM 410 N GLU A 26 -18.077 8.024 -8.836 1.00 0.00 N ATOM 411 CA GLU A 26 -18.432 7.424 -10.120 1.00 0.00 C ATOM 412 C GLU A 26 -19.110 8.452 -11.024 1.00 0.00 C ATOM 413 O GLU A 26 -18.707 8.644 -12.168 1.00 0.00 O ATOM 414 CB GLU A 26 -19.346 6.209 -9.877 1.00 0.00 C ATOM 415 CG GLU A 26 -19.860 5.523 -11.136 1.00 0.00 C ATOM 416 CD GLU A 26 -21.280 5.927 -11.494 1.00 0.00 C ATOM 417 OE1 GLU A 26 -22.193 5.707 -10.673 1.00 0.00 O ATOM 418 OE2 GLU A 26 -21.495 6.439 -12.610 1.00 0.00 O ATOM 0 H GLU A 26 -18.538 7.591 -8.036 1.00 0.00 H new ATOM 0 HA GLU A 26 -17.527 7.089 -10.627 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -18.801 5.478 -9.281 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -20.201 6.531 -9.283 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -19.199 5.762 -11.969 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -19.820 4.443 -10.997 1.00 0.00 H new ATOM 425 N LYS A 27 -20.122 9.123 -10.485 1.00 0.00 N ATOM 426 CA LYS A 27 -20.856 10.162 -11.211 1.00 0.00 C ATOM 427 C LYS A 27 -19.932 11.265 -11.721 1.00 0.00 C ATOM 428 O LYS A 27 -20.004 11.651 -12.889 1.00 0.00 O ATOM 429 CB LYS A 27 -21.934 10.775 -10.319 1.00 0.00 C ATOM 430 CG LYS A 27 -23.210 9.952 -10.237 1.00 0.00 C ATOM 431 CD LYS A 27 -24.189 10.532 -9.228 1.00 0.00 C ATOM 432 CE LYS A 27 -24.627 11.944 -9.594 1.00 0.00 C ATOM 433 NZ LYS A 27 -25.603 11.970 -10.718 1.00 0.00 N ATOM 0 H LYS A 27 -20.459 8.965 -9.535 1.00 0.00 H new ATOM 0 HA LYS A 27 -21.319 9.683 -12.073 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -21.531 10.902 -9.314 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -22.178 11.769 -10.693 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -23.681 9.912 -11.219 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -22.965 8.927 -9.959 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -25.066 9.887 -9.163 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -23.727 10.542 -8.241 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -25.073 12.420 -8.720 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -23.751 12.533 -9.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -25.527 12.876 -11.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -25.397 11.190 -11.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -26.567 11.862 -10.343 1.00 0.00 H new ATOM 447 N VAL A 28 -19.070 11.773 -10.845 1.00 0.00 N ATOM 448 CA VAL A 28 -18.148 12.837 -11.211 1.00 0.00 C ATOM 449 C VAL A 28 -17.228 12.384 -12.337 1.00 0.00 C ATOM 450 O VAL A 28 -16.994 13.113 -13.297 1.00 0.00 O ATOM 451 CB VAL A 28 -17.298 13.290 -10.002 1.00 0.00 C ATOM 452 CG1 VAL A 28 -16.262 14.316 -10.421 1.00 0.00 C ATOM 453 CG2 VAL A 28 -18.183 13.855 -8.903 1.00 0.00 C ATOM 0 H VAL A 28 -18.993 11.463 -9.876 1.00 0.00 H new ATOM 0 HA VAL A 28 -18.746 13.683 -11.550 1.00 0.00 H new ATOM 0 HB VAL A 28 -16.777 12.415 -9.613 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -15.677 14.618 -9.552 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -15.601 13.880 -11.170 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -16.763 15.188 -10.842 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -17.564 14.168 -8.062 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -18.735 14.713 -9.286 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -18.885 13.090 -8.572 1.00 0.00 H new ATOM 463 N MET A 29 -16.736 11.160 -12.227 1.00 0.00 N ATOM 464 CA MET A 29 -15.814 10.617 -13.216 1.00 0.00 C ATOM 465 C MET A 29 -16.568 9.983 -14.382 1.00 0.00 C ATOM 466 O MET A 29 -15.984 9.265 -15.194 1.00 0.00 O ATOM 467 CB MET A 29 -14.881 9.603 -12.551 1.00 0.00 C ATOM 468 CG MET A 29 -14.051 10.212 -11.433 1.00 0.00 C ATOM 469 SD MET A 29 -13.023 9.005 -10.574 1.00 0.00 S ATOM 470 CE MET A 29 -11.932 8.492 -11.899 1.00 0.00 C ATOM 0 H MET A 29 -16.959 10.522 -11.463 1.00 0.00 H new ATOM 0 HA MET A 29 -15.216 11.433 -13.621 1.00 0.00 H new ATOM 0 HB2 MET A 29 -15.473 8.779 -12.151 1.00 0.00 H new ATOM 0 HB3 MET A 29 -14.215 9.181 -13.303 1.00 0.00 H new ATOM 0 HG2 MET A 29 -13.414 10.994 -11.847 1.00 0.00 H new ATOM 0 HG3 MET A 29 -14.716 10.690 -10.714 1.00 0.00 H new ATOM 0 HE1 MET A 29 -11.069 7.974 -11.480 1.00 0.00 H new ATOM 0 HE2 MET A 29 -12.467 7.821 -12.572 1.00 0.00 H new ATOM 0 HE3 MET A 29 -11.595 9.368 -12.453 1.00 0.00 H new ATOM 480 N LYS A 30 -17.862 10.266 -14.469 1.00 0.00 N ATOM 481 CA LYS A 30 -18.689 9.779 -15.564 1.00 0.00 C ATOM 482 C LYS A 30 -19.104 10.925 -16.469 1.00 0.00 C ATOM 483 O LYS A 30 -19.252 10.755 -17.680 1.00 0.00 O ATOM 484 CB LYS A 30 -19.948 9.109 -15.023 1.00 0.00 C ATOM 485 CG LYS A 30 -20.143 7.683 -15.491 1.00 0.00 C ATOM 486 CD LYS A 30 -19.192 6.738 -14.785 1.00 0.00 C ATOM 487 CE LYS A 30 -19.583 5.291 -15.016 1.00 0.00 C ATOM 488 NZ LYS A 30 -21.044 5.083 -14.835 1.00 0.00 N ATOM 0 H LYS A 30 -18.364 10.835 -13.788 1.00 0.00 H new ATOM 0 HA LYS A 30 -18.100 9.058 -16.130 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -19.912 9.120 -13.934 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -20.816 9.699 -15.319 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -21.172 7.374 -15.305 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -19.983 7.626 -16.568 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -18.176 6.905 -15.144 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -19.191 6.951 -13.716 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -19.294 4.992 -16.024 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -19.035 4.651 -14.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -21.216 4.120 -14.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -21.411 5.774 -14.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -21.528 5.209 -15.747 1.00 0.00 H new ATOM 502 N ASP A 31 -19.309 12.087 -15.861 1.00 0.00 N ATOM 503 CA ASP A 31 -19.815 13.251 -16.572 1.00 0.00 C ATOM 504 C ASP A 31 -18.888 13.649 -17.709 1.00 0.00 C ATOM 505 O ASP A 31 -17.692 13.857 -17.506 1.00 0.00 O ATOM 506 CB ASP A 31 -20.000 14.431 -15.623 1.00 0.00 C ATOM 507 CG ASP A 31 -20.621 15.616 -16.328 1.00 0.00 C ATOM 508 OD1 ASP A 31 -21.861 15.639 -16.474 1.00 0.00 O ATOM 509 OD2 ASP A 31 -19.871 16.505 -16.763 1.00 0.00 O ATOM 0 H ASP A 31 -19.131 12.247 -14.870 1.00 0.00 H new ATOM 0 HA ASP A 31 -20.783 12.979 -16.992 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -20.632 14.131 -14.787 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -19.035 14.719 -15.206 1.00 0.00 H new ATOM 514 N GLN A 32 -19.458 13.776 -18.895 1.00 0.00 N ATOM 515 CA GLN A 32 -18.686 14.033 -20.102 1.00 0.00 C ATOM 516 C GLN A 32 -18.096 15.442 -20.098 1.00 0.00 C ATOM 517 O GLN A 32 -17.070 15.698 -20.733 1.00 0.00 O ATOM 518 CB GLN A 32 -19.566 13.828 -21.335 1.00 0.00 C ATOM 519 CG GLN A 32 -20.187 12.441 -21.401 1.00 0.00 C ATOM 520 CD GLN A 32 -21.119 12.270 -22.581 1.00 0.00 C ATOM 521 OE1 GLN A 32 -21.731 13.230 -23.047 1.00 0.00 O ATOM 522 NE2 GLN A 32 -21.242 11.047 -23.070 1.00 0.00 N ATOM 0 H GLN A 32 -20.464 13.705 -19.050 1.00 0.00 H new ATOM 0 HA GLN A 32 -17.856 13.327 -20.131 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -20.360 14.575 -21.336 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -18.969 13.995 -22.232 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -19.394 11.696 -21.460 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -20.737 12.250 -20.479 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -20.717 10.277 -22.656 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -21.862 10.874 -23.862 1.00 0.00 H new ATOM 531 N ASP A 33 -18.733 16.350 -19.371 1.00 0.00 N ATOM 532 CA ASP A 33 -18.267 17.730 -19.305 1.00 0.00 C ATOM 533 C ASP A 33 -17.158 17.867 -18.271 1.00 0.00 C ATOM 534 O ASP A 33 -16.215 18.634 -18.463 1.00 0.00 O ATOM 535 CB ASP A 33 -19.424 18.685 -18.999 1.00 0.00 C ATOM 536 CG ASP A 33 -20.382 18.817 -20.165 1.00 0.00 C ATOM 537 OD1 ASP A 33 -20.153 19.685 -21.030 1.00 0.00 O ATOM 538 OD2 ASP A 33 -21.365 18.045 -20.230 1.00 0.00 O ATOM 0 H ASP A 33 -19.570 16.158 -18.821 1.00 0.00 H new ATOM 0 HA ASP A 33 -17.862 18.002 -20.280 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -19.967 18.327 -18.124 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -19.025 19.667 -18.746 1.00 0.00 H new ATOM 543 N VAL A 34 -17.271 17.117 -17.180 1.00 0.00 N ATOM 544 CA VAL A 34 -16.191 17.013 -16.205 1.00 0.00 C ATOM 545 C VAL A 34 -14.915 16.510 -16.874 1.00 0.00 C ATOM 546 O VAL A 34 -13.842 17.082 -16.696 1.00 0.00 O ATOM 547 CB VAL A 34 -16.583 16.079 -15.037 1.00 0.00 C ATOM 548 CG1 VAL A 34 -15.370 15.639 -14.235 1.00 0.00 C ATOM 549 CG2 VAL A 34 -17.580 16.770 -14.130 1.00 0.00 C ATOM 0 H VAL A 34 -18.101 16.571 -16.948 1.00 0.00 H new ATOM 0 HA VAL A 34 -16.009 18.008 -15.800 1.00 0.00 H new ATOM 0 HB VAL A 34 -17.039 15.187 -15.467 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -15.688 14.984 -13.424 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -14.679 15.102 -14.885 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -14.871 16.515 -13.820 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -17.849 16.103 -13.311 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -17.135 17.680 -13.726 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -18.474 17.025 -14.699 1.00 0.00 H new ATOM 559 N GLN A 35 -15.044 15.456 -17.670 1.00 0.00 N ATOM 560 CA GLN A 35 -13.899 14.890 -18.381 1.00 0.00 C ATOM 561 C GLN A 35 -13.363 15.882 -19.397 1.00 0.00 C ATOM 562 O GLN A 35 -12.154 15.986 -19.615 1.00 0.00 O ATOM 563 CB GLN A 35 -14.302 13.597 -19.078 1.00 0.00 C ATOM 564 CG GLN A 35 -15.054 12.664 -18.160 1.00 0.00 C ATOM 565 CD GLN A 35 -15.222 11.276 -18.730 1.00 0.00 C ATOM 566 OE1 GLN A 35 -15.270 11.092 -19.946 1.00 0.00 O ATOM 567 NE2 GLN A 35 -15.322 10.293 -17.854 1.00 0.00 N ATOM 0 H GLN A 35 -15.927 14.975 -17.841 1.00 0.00 H new ATOM 0 HA GLN A 35 -13.114 14.673 -17.657 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -14.923 13.831 -19.943 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.410 13.095 -19.452 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -14.526 12.598 -17.209 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -16.037 13.085 -17.951 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -15.277 10.494 -16.855 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -15.445 9.333 -18.176 1.00 0.00 H new ATOM 576 N ALA A 36 -14.279 16.612 -20.010 1.00 0.00 N ATOM 577 CA ALA A 36 -13.921 17.678 -20.935 1.00 0.00 C ATOM 578 C ALA A 36 -13.113 18.755 -20.216 1.00 0.00 C ATOM 579 O ALA A 36 -12.144 19.279 -20.759 1.00 0.00 O ATOM 580 CB ALA A 36 -15.167 18.277 -21.571 1.00 0.00 C ATOM 0 H ALA A 36 -15.283 16.486 -19.884 1.00 0.00 H new ATOM 0 HA ALA A 36 -13.304 17.255 -21.728 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -14.878 19.072 -22.259 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.705 17.502 -22.117 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -15.811 18.687 -20.793 1.00 0.00 H new ATOM 586 N PHE A 37 -13.511 19.062 -18.990 1.00 0.00 N ATOM 587 CA PHE A 37 -12.789 20.013 -18.155 1.00 0.00 C ATOM 588 C PHE A 37 -11.411 19.475 -17.790 1.00 0.00 C ATOM 589 O PHE A 37 -10.424 20.215 -17.783 1.00 0.00 O ATOM 590 CB PHE A 37 -13.592 20.302 -16.889 1.00 0.00 C ATOM 591 CG PHE A 37 -12.860 21.137 -15.879 1.00 0.00 C ATOM 592 CD1 PHE A 37 -12.542 22.455 -16.152 1.00 0.00 C ATOM 593 CD2 PHE A 37 -12.501 20.605 -14.655 1.00 0.00 C ATOM 594 CE1 PHE A 37 -11.879 23.229 -15.220 1.00 0.00 C ATOM 595 CE2 PHE A 37 -11.844 21.374 -13.716 1.00 0.00 C ATOM 596 CZ PHE A 37 -11.531 22.690 -14.000 1.00 0.00 C ATOM 0 H PHE A 37 -14.338 18.662 -18.547 1.00 0.00 H new ATOM 0 HA PHE A 37 -12.656 20.938 -18.716 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -14.516 20.811 -17.165 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -13.875 19.356 -16.427 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -12.815 22.884 -17.105 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -12.737 19.575 -14.431 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -11.633 24.256 -15.447 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -11.575 20.948 -12.761 1.00 0.00 H new ATOM 0 HZ PHE A 37 -11.015 23.294 -13.268 1.00 0.00 H new ATOM 606 N LEU A 38 -11.354 18.184 -17.487 1.00 0.00 N ATOM 607 CA LEU A 38 -10.102 17.539 -17.128 1.00 0.00 C ATOM 608 C LEU A 38 -9.082 17.646 -18.254 1.00 0.00 C ATOM 609 O LEU A 38 -7.909 17.907 -18.011 1.00 0.00 O ATOM 610 CB LEU A 38 -10.322 16.070 -16.768 1.00 0.00 C ATOM 611 CG LEU A 38 -10.371 15.769 -15.272 1.00 0.00 C ATOM 612 CD1 LEU A 38 -9.105 16.264 -14.593 1.00 0.00 C ATOM 613 CD2 LEU A 38 -11.601 16.387 -14.628 1.00 0.00 C ATOM 0 H LEU A 38 -12.164 17.564 -17.483 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.711 18.060 -16.254 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -11.256 15.737 -17.220 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.523 15.479 -17.216 1.00 0.00 H new ATOM 0 HG LEU A 38 -10.436 14.688 -15.145 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.154 16.043 -13.527 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.240 15.764 -15.028 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.012 17.341 -14.736 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -11.609 16.156 -13.563 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -11.579 17.468 -14.765 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -12.499 15.981 -15.094 1.00 0.00 H new ATOM 625 N LYS A 39 -9.529 17.449 -19.485 1.00 0.00 N ATOM 626 CA LYS A 39 -8.631 17.545 -20.633 1.00 0.00 C ATOM 627 C LYS A 39 -8.415 19.006 -21.028 1.00 0.00 C ATOM 628 O LYS A 39 -7.401 19.359 -21.630 1.00 0.00 O ATOM 629 CB LYS A 39 -9.163 16.735 -21.824 1.00 0.00 C ATOM 630 CG LYS A 39 -10.422 17.295 -22.469 1.00 0.00 C ATOM 631 CD LYS A 39 -10.883 16.421 -23.625 1.00 0.00 C ATOM 632 CE LYS A 39 -12.071 17.023 -24.360 1.00 0.00 C ATOM 633 NZ LYS A 39 -11.735 18.317 -25.011 1.00 0.00 N ATOM 0 H LYS A 39 -10.496 17.224 -19.717 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.670 17.120 -20.342 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -8.381 16.674 -22.581 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -9.365 15.717 -21.491 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -11.215 17.366 -21.724 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -10.231 18.306 -22.828 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -10.058 16.281 -24.324 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -11.153 15.435 -23.248 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -12.423 16.320 -25.115 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -12.891 17.174 -23.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.484 18.571 -25.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.655 19.059 -24.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.830 18.227 -25.516 1.00 0.00 H new ATOM 647 N GLU A 40 -9.373 19.849 -20.670 1.00 0.00 N ATOM 648 CA GLU A 40 -9.289 21.278 -20.946 1.00 0.00 C ATOM 649 C GLU A 40 -8.122 21.888 -20.191 1.00 0.00 C ATOM 650 O GLU A 40 -7.248 22.535 -20.769 1.00 0.00 O ATOM 651 CB GLU A 40 -10.588 21.970 -20.517 1.00 0.00 C ATOM 652 CG GLU A 40 -10.692 23.431 -20.934 1.00 0.00 C ATOM 653 CD GLU A 40 -11.912 24.125 -20.346 1.00 0.00 C ATOM 654 OE1 GLU A 40 -13.043 23.838 -20.791 1.00 0.00 O ATOM 655 OE2 GLU A 40 -11.747 24.960 -19.428 1.00 0.00 O ATOM 0 H GLU A 40 -10.224 19.566 -20.184 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.138 21.419 -22.016 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.432 21.424 -20.938 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.677 21.907 -19.432 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.792 23.959 -20.619 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.734 23.492 -22.022 1.00 0.00 H new ATOM 662 N ASN A 41 -8.106 21.652 -18.898 1.00 0.00 N ATOM 663 CA ASN A 41 -7.129 22.277 -18.027 1.00 0.00 C ATOM 664 C ASN A 41 -6.180 21.255 -17.435 1.00 0.00 C ATOM 665 O ASN A 41 -5.672 21.439 -16.331 1.00 0.00 O ATOM 666 CB ASN A 41 -7.846 23.033 -16.916 1.00 0.00 C ATOM 667 CG ASN A 41 -8.689 24.167 -17.462 1.00 0.00 C ATOM 668 OD1 ASN A 41 -8.206 25.280 -17.662 1.00 0.00 O ATOM 669 ND2 ASN A 41 -9.961 23.891 -17.697 1.00 0.00 N ATOM 0 H ASN A 41 -8.760 21.030 -18.423 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.537 22.973 -18.621 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.480 22.344 -16.358 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.113 23.430 -16.214 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.582 24.615 -18.058 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.321 22.954 -17.517 1.00 0.00 H new ATOM 676 N GLU A 42 -5.907 20.201 -18.191 1.00 0.00 N ATOM 677 CA GLU A 42 -5.020 19.132 -17.720 1.00 0.00 C ATOM 678 C GLU A 42 -3.605 19.646 -17.471 1.00 0.00 C ATOM 679 O GLU A 42 -2.818 19.016 -16.767 1.00 0.00 O ATOM 680 CB GLU A 42 -4.980 17.970 -18.715 1.00 0.00 C ATOM 681 CG GLU A 42 -4.603 18.374 -20.129 1.00 0.00 C ATOM 682 CD GLU A 42 -4.483 17.180 -21.049 1.00 0.00 C ATOM 683 OE1 GLU A 42 -5.524 16.637 -21.472 1.00 0.00 O ATOM 684 OE2 GLU A 42 -3.344 16.762 -21.337 1.00 0.00 O ATOM 0 H GLU A 42 -6.282 20.058 -19.129 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.428 18.774 -16.775 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.267 17.226 -18.359 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -5.958 17.490 -18.735 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.354 19.060 -20.522 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.656 18.914 -20.111 1.00 0.00 H new ATOM 691 N GLU A 43 -3.290 20.791 -18.055 1.00 0.00 N ATOM 692 CA GLU A 43 -1.988 21.411 -17.872 1.00 0.00 C ATOM 693 C GLU A 43 -1.914 22.109 -16.515 1.00 0.00 C ATOM 694 O GLU A 43 -0.843 22.234 -15.925 1.00 0.00 O ATOM 695 CB GLU A 43 -1.738 22.423 -18.993 1.00 0.00 C ATOM 696 CG GLU A 43 -0.316 22.957 -19.045 1.00 0.00 C ATOM 697 CD GLU A 43 0.696 21.884 -19.388 1.00 0.00 C ATOM 698 OE1 GLU A 43 0.673 21.387 -20.532 1.00 0.00 O ATOM 699 OE2 GLU A 43 1.519 21.533 -18.514 1.00 0.00 O ATOM 0 H GLU A 43 -3.922 21.312 -18.663 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.222 20.636 -17.906 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.973 21.955 -19.949 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.424 23.261 -18.871 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.258 23.756 -19.785 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.061 23.397 -18.081 1.00 0.00 H new ATOM 706 N VAL A 44 -3.063 22.547 -16.018 1.00 0.00 N ATOM 707 CA VAL A 44 -3.113 23.355 -14.801 1.00 0.00 C ATOM 708 C VAL A 44 -3.579 22.532 -13.599 1.00 0.00 C ATOM 709 O VAL A 44 -3.089 22.711 -12.483 1.00 0.00 O ATOM 710 CB VAL A 44 -4.062 24.563 -14.979 1.00 0.00 C ATOM 711 CG1 VAL A 44 -4.015 25.483 -13.765 1.00 0.00 C ATOM 712 CG2 VAL A 44 -3.723 25.334 -16.247 1.00 0.00 C ATOM 0 H VAL A 44 -3.974 22.358 -16.436 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.099 23.710 -14.615 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.077 24.178 -15.071 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -4.692 26.323 -13.919 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.320 24.929 -12.877 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.000 25.855 -13.630 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.403 26.179 -16.352 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.698 25.699 -16.188 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.825 24.677 -17.111 1.00 0.00 H new ATOM 722 N ILE A 45 -4.515 21.631 -13.836 1.00 0.00 N ATOM 723 CA ILE A 45 -5.132 20.857 -12.769 1.00 0.00 C ATOM 724 C ILE A 45 -4.246 19.687 -12.334 1.00 0.00 C ATOM 725 O ILE A 45 -3.506 19.123 -13.143 1.00 0.00 O ATOM 726 CB ILE A 45 -6.497 20.310 -13.227 1.00 0.00 C ATOM 727 CG1 ILE A 45 -7.407 21.447 -13.667 1.00 0.00 C ATOM 728 CG2 ILE A 45 -7.162 19.512 -12.117 1.00 0.00 C ATOM 729 CD1 ILE A 45 -8.676 20.956 -14.318 1.00 0.00 C ATOM 0 H ILE A 45 -4.869 21.414 -14.768 1.00 0.00 H new ATOM 0 HA ILE A 45 -5.265 21.526 -11.919 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.326 19.647 -14.075 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -7.660 22.060 -12.802 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.869 22.088 -14.365 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.124 19.136 -12.465 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.524 18.673 -11.840 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -7.315 20.154 -11.249 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -9.288 21.809 -14.612 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.428 20.366 -15.200 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -9.231 20.338 -13.613 1.00 0.00 H new ATOM 741 N ASP A 46 -4.327 19.330 -11.056 1.00 0.00 N ATOM 742 CA ASP A 46 -3.627 18.162 -10.538 1.00 0.00 C ATOM 743 C ASP A 46 -4.606 17.301 -9.746 1.00 0.00 C ATOM 744 O ASP A 46 -5.758 17.695 -9.546 1.00 0.00 O ATOM 745 CB ASP A 46 -2.436 18.565 -9.657 1.00 0.00 C ATOM 746 CG ASP A 46 -2.846 19.021 -8.273 1.00 0.00 C ATOM 747 OD1 ASP A 46 -3.343 20.155 -8.134 1.00 0.00 O ATOM 748 OD2 ASP A 46 -2.663 18.244 -7.311 1.00 0.00 O ATOM 0 H ASP A 46 -4.873 19.836 -10.359 1.00 0.00 H new ATOM 0 HA ASP A 46 -3.232 17.592 -11.379 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -1.756 17.718 -9.567 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.884 19.366 -10.148 1.00 0.00 H new ATOM 753 N GLN A 47 -4.152 16.136 -9.299 1.00 0.00 N ATOM 754 CA GLN A 47 -5.024 15.182 -8.611 1.00 0.00 C ATOM 755 C GLN A 47 -5.646 15.781 -7.353 1.00 0.00 C ATOM 756 O GLN A 47 -6.843 15.631 -7.111 1.00 0.00 O ATOM 757 CB GLN A 47 -4.250 13.924 -8.235 1.00 0.00 C ATOM 758 CG GLN A 47 -3.646 13.195 -9.420 1.00 0.00 C ATOM 759 CD GLN A 47 -2.935 11.914 -9.017 1.00 0.00 C ATOM 760 OE1 GLN A 47 -2.855 10.963 -9.797 1.00 0.00 O ATOM 761 NE2 GLN A 47 -2.425 11.869 -7.793 1.00 0.00 N ATOM 0 H GLN A 47 -3.185 15.826 -9.399 1.00 0.00 H new ATOM 0 HA GLN A 47 -5.826 14.930 -9.304 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -3.453 14.194 -7.542 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -4.917 13.244 -7.705 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -4.433 12.959 -10.137 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -2.941 13.854 -9.926 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -2.510 12.676 -7.175 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -1.947 11.028 -7.470 1.00 0.00 H new ATOM 770 N LYS A 48 -4.834 16.470 -6.569 1.00 0.00 N ATOM 771 CA LYS A 48 -5.279 17.014 -5.296 1.00 0.00 C ATOM 772 C LYS A 48 -6.306 18.112 -5.499 1.00 0.00 C ATOM 773 O LYS A 48 -7.252 18.247 -4.721 1.00 0.00 O ATOM 774 CB LYS A 48 -4.084 17.532 -4.511 1.00 0.00 C ATOM 775 CG LYS A 48 -3.165 16.417 -4.056 1.00 0.00 C ATOM 776 CD LYS A 48 -1.900 16.944 -3.412 1.00 0.00 C ATOM 777 CE LYS A 48 -0.978 15.802 -3.016 1.00 0.00 C ATOM 778 NZ LYS A 48 0.336 16.292 -2.533 1.00 0.00 N ATOM 0 H LYS A 48 -3.859 16.667 -6.793 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.758 16.217 -4.727 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.523 18.232 -5.129 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.437 18.086 -3.641 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -3.693 15.780 -3.347 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.903 15.793 -4.911 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.385 17.610 -4.104 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.154 17.534 -2.531 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.452 15.207 -2.236 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.827 15.144 -3.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 0.934 15.482 -2.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.801 16.839 -3.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.195 16.899 -1.701 1.00 0.00 H new ATOM 792 N MET A 49 -6.115 18.896 -6.548 1.00 0.00 N ATOM 793 CA MET A 49 -7.085 19.907 -6.931 1.00 0.00 C ATOM 794 C MET A 49 -8.439 19.252 -7.197 1.00 0.00 C ATOM 795 O MET A 49 -9.482 19.800 -6.843 1.00 0.00 O ATOM 796 CB MET A 49 -6.607 20.659 -8.174 1.00 0.00 C ATOM 797 CG MET A 49 -7.385 21.931 -8.450 1.00 0.00 C ATOM 798 SD MET A 49 -6.891 22.744 -9.983 1.00 0.00 S ATOM 799 CE MET A 49 -5.192 23.174 -9.620 1.00 0.00 C ATOM 0 H MET A 49 -5.293 18.850 -7.151 1.00 0.00 H new ATOM 0 HA MET A 49 -7.191 20.622 -6.115 1.00 0.00 H new ATOM 0 HB2 MET A 49 -5.552 20.907 -8.055 1.00 0.00 H new ATOM 0 HB3 MET A 49 -6.685 20.001 -9.039 1.00 0.00 H new ATOM 0 HG2 MET A 49 -8.448 21.697 -8.496 1.00 0.00 H new ATOM 0 HG3 MET A 49 -7.247 22.622 -7.618 1.00 0.00 H new ATOM 0 HE1 MET A 49 -4.872 23.980 -10.280 1.00 0.00 H new ATOM 0 HE2 MET A 49 -5.113 23.501 -8.583 1.00 0.00 H new ATOM 0 HE3 MET A 49 -4.555 22.303 -9.775 1.00 0.00 H new ATOM 809 N ILE A 50 -8.407 18.066 -7.801 1.00 0.00 N ATOM 810 CA ILE A 50 -9.618 17.286 -8.049 1.00 0.00 C ATOM 811 C ILE A 50 -10.213 16.784 -6.735 1.00 0.00 C ATOM 812 O ILE A 50 -11.409 16.931 -6.492 1.00 0.00 O ATOM 813 CB ILE A 50 -9.324 16.077 -8.966 1.00 0.00 C ATOM 814 CG1 ILE A 50 -8.823 16.548 -10.334 1.00 0.00 C ATOM 815 CG2 ILE A 50 -10.554 15.195 -9.130 1.00 0.00 C ATOM 816 CD1 ILE A 50 -9.850 17.335 -11.125 1.00 0.00 C ATOM 0 H ILE A 50 -7.550 17.622 -8.130 1.00 0.00 H new ATOM 0 HA ILE A 50 -10.333 17.942 -8.545 1.00 0.00 H new ATOM 0 HB ILE A 50 -8.543 15.483 -8.491 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -7.936 17.166 -10.193 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.517 15.679 -10.917 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -10.314 14.354 -9.780 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -10.867 14.822 -8.155 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -11.363 15.777 -9.572 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.421 17.634 -12.082 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -10.729 16.714 -11.299 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -10.139 18.223 -10.564 1.00 0.00 H new ATOM 828 N GLU A 51 -9.361 16.201 -5.895 1.00 0.00 N ATOM 829 CA GLU A 51 -9.777 15.673 -4.596 1.00 0.00 C ATOM 830 C GLU A 51 -10.511 16.733 -3.780 1.00 0.00 C ATOM 831 O GLU A 51 -11.593 16.484 -3.247 1.00 0.00 O ATOM 832 CB GLU A 51 -8.560 15.184 -3.811 1.00 0.00 C ATOM 833 CG GLU A 51 -7.815 14.030 -4.461 1.00 0.00 C ATOM 834 CD GLU A 51 -6.537 13.693 -3.721 1.00 0.00 C ATOM 835 OE1 GLU A 51 -6.602 13.445 -2.496 1.00 0.00 O ATOM 836 OE2 GLU A 51 -5.459 13.702 -4.345 1.00 0.00 O ATOM 0 H GLU A 51 -8.368 16.081 -6.093 1.00 0.00 H new ATOM 0 HA GLU A 51 -10.456 14.840 -4.777 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.870 16.017 -3.678 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.884 14.877 -2.817 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.460 13.152 -4.490 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.579 14.286 -5.494 1.00 0.00 H new ATOM 843 N LYS A 52 -9.921 17.918 -3.696 1.00 0.00 N ATOM 844 CA LYS A 52 -10.501 19.003 -2.918 1.00 0.00 C ATOM 845 C LYS A 52 -11.818 19.465 -3.522 1.00 0.00 C ATOM 846 O LYS A 52 -12.804 19.667 -2.812 1.00 0.00 O ATOM 847 CB LYS A 52 -9.535 20.189 -2.832 1.00 0.00 C ATOM 848 CG LYS A 52 -8.647 20.194 -1.592 1.00 0.00 C ATOM 849 CD LYS A 52 -7.402 19.323 -1.742 1.00 0.00 C ATOM 850 CE LYS A 52 -7.692 17.842 -1.543 1.00 0.00 C ATOM 851 NZ LYS A 52 -8.223 17.550 -0.187 1.00 0.00 N ATOM 0 H LYS A 52 -9.042 18.152 -4.157 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.688 18.622 -1.914 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -8.900 20.189 -3.718 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -10.112 21.113 -2.854 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -8.343 21.218 -1.375 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -9.226 19.845 -0.737 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -6.975 19.475 -2.733 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.651 19.642 -1.019 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.412 17.511 -2.292 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.778 17.270 -1.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.059 16.549 0.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.739 18.149 0.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -9.244 17.748 -0.164 1.00 0.00 H new ATOM 865 N SER A 53 -11.833 19.591 -4.837 1.00 0.00 N ATOM 866 CA SER A 53 -12.976 20.153 -5.542 1.00 0.00 C ATOM 867 C SER A 53 -13.996 19.080 -5.939 1.00 0.00 C ATOM 868 O SER A 53 -14.900 19.352 -6.726 1.00 0.00 O ATOM 869 CB SER A 53 -12.489 20.896 -6.786 1.00 0.00 C ATOM 870 OG SER A 53 -11.404 21.758 -6.472 1.00 0.00 O ATOM 0 H SER A 53 -11.062 19.310 -5.443 1.00 0.00 H new ATOM 0 HA SER A 53 -13.480 20.843 -4.865 1.00 0.00 H new ATOM 0 HB2 SER A 53 -12.179 20.178 -7.545 1.00 0.00 H new ATOM 0 HB3 SER A 53 -13.308 21.476 -7.211 1.00 0.00 H new ATOM 0 HG SER A 53 -10.562 21.261 -6.537 1.00 0.00 H new ATOM 876 N LEU A 54 -13.871 17.874 -5.388 1.00 0.00 N ATOM 877 CA LEU A 54 -14.803 16.789 -5.701 1.00 0.00 C ATOM 878 C LEU A 54 -16.235 17.196 -5.367 1.00 0.00 C ATOM 879 O LEU A 54 -17.181 16.815 -6.058 1.00 0.00 O ATOM 880 CB LEU A 54 -14.431 15.513 -4.935 1.00 0.00 C ATOM 881 CG LEU A 54 -15.290 14.281 -5.260 1.00 0.00 C ATOM 882 CD1 LEU A 54 -15.166 13.911 -6.730 1.00 0.00 C ATOM 883 CD2 LEU A 54 -14.899 13.104 -4.377 1.00 0.00 C ATOM 0 H LEU A 54 -13.137 17.623 -4.725 1.00 0.00 H new ATOM 0 HA LEU A 54 -14.735 16.587 -6.770 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -13.388 15.274 -5.144 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -14.504 15.715 -3.866 1.00 0.00 H new ATOM 0 HG LEU A 54 -16.332 14.530 -5.057 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -15.782 13.036 -6.938 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -15.502 14.746 -7.345 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -14.125 13.685 -6.962 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -15.519 12.242 -4.624 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.851 12.856 -4.544 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -15.047 13.370 -3.330 1.00 0.00 H new ATOM 895 N ASN A 55 -16.376 17.992 -4.317 1.00 0.00 N ATOM 896 CA ASN A 55 -17.679 18.494 -3.901 1.00 0.00 C ATOM 897 C ASN A 55 -18.207 19.518 -4.907 1.00 0.00 C ATOM 898 O ASN A 55 -19.402 19.548 -5.200 1.00 0.00 O ATOM 899 CB ASN A 55 -17.606 19.102 -2.491 1.00 0.00 C ATOM 900 CG ASN A 55 -16.644 20.277 -2.377 1.00 0.00 C ATOM 901 OD1 ASN A 55 -15.667 20.378 -3.118 1.00 0.00 O ATOM 902 ND2 ASN A 55 -16.910 21.164 -1.434 1.00 0.00 N ATOM 0 H ASN A 55 -15.600 18.306 -3.734 1.00 0.00 H new ATOM 0 HA ASN A 55 -18.374 17.655 -3.871 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -18.602 19.430 -2.195 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -17.303 18.327 -1.787 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -16.295 21.967 -1.301 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -17.730 21.046 -0.839 1.00 0.00 H new ATOM 909 N LYS A 56 -17.310 20.340 -5.452 1.00 0.00 N ATOM 910 CA LYS A 56 -17.683 21.313 -6.476 1.00 0.00 C ATOM 911 C LYS A 56 -18.049 20.605 -7.772 1.00 0.00 C ATOM 912 O LYS A 56 -19.028 20.952 -8.425 1.00 0.00 O ATOM 913 CB LYS A 56 -16.543 22.312 -6.736 1.00 0.00 C ATOM 914 CG LYS A 56 -16.288 23.272 -5.586 1.00 0.00 C ATOM 915 CD LYS A 56 -17.488 24.175 -5.333 1.00 0.00 C ATOM 916 CE LYS A 56 -17.754 25.122 -6.493 1.00 0.00 C ATOM 917 NZ LYS A 56 -18.995 25.913 -6.276 1.00 0.00 N ATOM 0 H LYS A 56 -16.321 20.351 -5.201 1.00 0.00 H new ATOM 0 HA LYS A 56 -18.549 21.865 -6.110 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -15.628 21.757 -6.942 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -16.776 22.888 -7.632 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -16.061 22.706 -4.682 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -15.413 23.883 -5.808 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -18.371 23.561 -5.159 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -17.319 24.755 -4.426 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -16.907 25.797 -6.614 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -17.842 24.551 -7.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -19.250 26.407 -7.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -19.769 25.276 -6.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -18.835 26.610 -5.521 1.00 0.00 H new ATOM 931 N LEU A 57 -17.261 19.602 -8.131 1.00 0.00 N ATOM 932 CA LEU A 57 -17.508 18.820 -9.337 1.00 0.00 C ATOM 933 C LEU A 57 -18.855 18.107 -9.260 1.00 0.00 C ATOM 934 O LEU A 57 -19.596 18.061 -10.241 1.00 0.00 O ATOM 935 CB LEU A 57 -16.378 17.807 -9.560 1.00 0.00 C ATOM 936 CG LEU A 57 -15.178 18.316 -10.376 1.00 0.00 C ATOM 937 CD1 LEU A 57 -14.582 19.579 -9.773 1.00 0.00 C ATOM 938 CD2 LEU A 57 -14.112 17.236 -10.481 1.00 0.00 C ATOM 0 H LEU A 57 -16.440 19.308 -7.602 1.00 0.00 H new ATOM 0 HA LEU A 57 -17.535 19.505 -10.185 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -16.017 17.473 -8.587 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -16.792 16.933 -10.063 1.00 0.00 H new ATOM 0 HG LEU A 57 -15.541 18.561 -11.374 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -13.737 19.907 -10.378 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -15.338 20.363 -9.750 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -14.243 19.373 -8.758 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -13.269 17.612 -11.061 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -13.772 16.962 -9.482 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -14.530 16.359 -10.975 1.00 0.00 H new ATOM 950 N TYR A 58 -19.177 17.573 -8.089 1.00 0.00 N ATOM 951 CA TYR A 58 -20.447 16.885 -7.888 1.00 0.00 C ATOM 952 C TYR A 58 -21.601 17.884 -7.928 1.00 0.00 C ATOM 953 O TYR A 58 -22.634 17.641 -8.561 1.00 0.00 O ATOM 954 CB TYR A 58 -20.438 16.138 -6.555 1.00 0.00 C ATOM 955 CG TYR A 58 -21.535 15.109 -6.439 1.00 0.00 C ATOM 956 CD1 TYR A 58 -21.485 13.945 -7.191 1.00 0.00 C ATOM 957 CD2 TYR A 58 -22.617 15.295 -5.588 1.00 0.00 C ATOM 958 CE1 TYR A 58 -22.477 12.994 -7.100 1.00 0.00 C ATOM 959 CE2 TYR A 58 -23.617 14.344 -5.490 1.00 0.00 C ATOM 960 CZ TYR A 58 -23.541 13.196 -6.249 1.00 0.00 C ATOM 961 OH TYR A 58 -24.530 12.243 -6.155 1.00 0.00 O ATOM 0 H TYR A 58 -18.577 17.603 -7.264 1.00 0.00 H new ATOM 0 HA TYR A 58 -20.584 16.162 -8.692 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -19.473 15.646 -6.429 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -20.537 16.858 -5.743 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -20.653 13.781 -7.860 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -22.679 16.195 -4.994 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -22.421 12.093 -7.694 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -24.452 14.500 -4.823 1.00 0.00 H new ATOM 0 HH TYR A 58 -25.207 12.537 -5.511 1.00 0.00 H new ATOM 971 N GLU A 59 -21.408 19.009 -7.250 1.00 0.00 N ATOM 972 CA GLU A 59 -22.366 20.109 -7.281 1.00 0.00 C ATOM 973 C GLU A 59 -22.641 20.513 -8.725 1.00 0.00 C ATOM 974 O GLU A 59 -23.787 20.677 -9.135 1.00 0.00 O ATOM 975 CB GLU A 59 -21.795 21.297 -6.496 1.00 0.00 C ATOM 976 CG GLU A 59 -22.650 22.555 -6.522 1.00 0.00 C ATOM 977 CD GLU A 59 -21.983 23.711 -5.798 1.00 0.00 C ATOM 978 OE1 GLU A 59 -22.163 23.833 -4.569 1.00 0.00 O ATOM 979 OE2 GLU A 59 -21.269 24.502 -6.453 1.00 0.00 O ATOM 0 H GLU A 59 -20.590 19.185 -6.667 1.00 0.00 H new ATOM 0 HA GLU A 59 -23.304 19.794 -6.823 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -21.653 20.993 -5.459 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -20.810 21.537 -6.895 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -22.845 22.839 -7.556 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -23.615 22.347 -6.061 1.00 0.00 H new ATOM 986 N TYR A 60 -21.563 20.636 -9.483 1.00 0.00 N ATOM 987 CA TYR A 60 -21.612 21.044 -10.880 1.00 0.00 C ATOM 988 C TYR A 60 -22.431 20.091 -11.745 1.00 0.00 C ATOM 989 O TYR A 60 -23.308 20.525 -12.486 1.00 0.00 O ATOM 990 CB TYR A 60 -20.179 21.144 -11.409 1.00 0.00 C ATOM 991 CG TYR A 60 -20.053 21.164 -12.914 1.00 0.00 C ATOM 992 CD1 TYR A 60 -20.393 22.289 -13.647 1.00 0.00 C ATOM 993 CD2 TYR A 60 -19.574 20.055 -13.598 1.00 0.00 C ATOM 994 CE1 TYR A 60 -20.261 22.309 -15.017 1.00 0.00 C ATOM 995 CE2 TYR A 60 -19.435 20.070 -14.971 1.00 0.00 C ATOM 996 CZ TYR A 60 -19.782 21.200 -15.676 1.00 0.00 C ATOM 997 OH TYR A 60 -19.636 21.227 -17.043 1.00 0.00 O ATOM 0 H TYR A 60 -20.619 20.454 -9.143 1.00 0.00 H new ATOM 0 HA TYR A 60 -22.111 22.012 -10.934 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -19.723 22.050 -11.009 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -19.606 20.301 -11.023 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -20.767 23.164 -13.136 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -19.306 19.166 -13.047 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -20.533 23.194 -15.574 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -19.057 19.201 -15.489 1.00 0.00 H new ATOM 0 HH TYR A 60 -18.683 21.233 -17.270 1.00 0.00 H new ATOM 1007 N ILE A 61 -22.141 18.802 -11.656 1.00 0.00 N ATOM 1008 CA ILE A 61 -22.756 17.824 -12.546 1.00 0.00 C ATOM 1009 C ILE A 61 -24.262 17.718 -12.336 1.00 0.00 C ATOM 1010 O ILE A 61 -24.998 17.408 -13.272 1.00 0.00 O ATOM 1011 CB ILE A 61 -22.115 16.426 -12.422 1.00 0.00 C ATOM 1012 CG1 ILE A 61 -22.224 15.878 -10.998 1.00 0.00 C ATOM 1013 CG2 ILE A 61 -20.666 16.487 -12.856 1.00 0.00 C ATOM 1014 CD1 ILE A 61 -21.619 14.502 -10.841 1.00 0.00 C ATOM 0 H ILE A 61 -21.487 18.408 -10.980 1.00 0.00 H new ATOM 0 HA ILE A 61 -22.572 18.195 -13.554 1.00 0.00 H new ATOM 0 HB ILE A 61 -22.660 15.745 -13.075 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -21.729 16.566 -10.312 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -23.274 15.841 -10.709 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -20.217 15.498 -12.767 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -20.610 16.818 -13.893 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -20.125 17.189 -12.221 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -21.730 14.172 -9.808 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -22.130 13.802 -11.502 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -20.561 14.538 -11.099 1.00 0.00 H new ATOM 1026 N GLU A 62 -24.721 17.961 -11.113 1.00 0.00 N ATOM 1027 CA GLU A 62 -26.143 17.848 -10.805 1.00 0.00 C ATOM 1028 C GLU A 62 -26.886 19.166 -11.022 1.00 0.00 C ATOM 1029 O GLU A 62 -28.072 19.169 -11.356 1.00 0.00 O ATOM 1030 CB GLU A 62 -26.327 17.371 -9.368 1.00 0.00 C ATOM 1031 CG GLU A 62 -25.701 16.015 -9.119 1.00 0.00 C ATOM 1032 CD GLU A 62 -26.403 14.898 -9.871 1.00 0.00 C ATOM 1033 OE1 GLU A 62 -26.238 14.796 -11.107 1.00 0.00 O ATOM 1034 OE2 GLU A 62 -27.112 14.100 -9.230 1.00 0.00 O ATOM 0 H GLU A 62 -24.135 18.235 -10.324 1.00 0.00 H new ATOM 0 HA GLU A 62 -26.571 17.118 -11.491 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.887 18.100 -8.688 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -27.392 17.323 -9.139 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -24.652 16.044 -9.415 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -25.725 15.799 -8.051 1.00 0.00 H new ATOM 1041 N GLN A 63 -26.194 20.278 -10.846 1.00 0.00 N ATOM 1042 CA GLN A 63 -26.837 21.587 -10.948 1.00 0.00 C ATOM 1043 C GLN A 63 -26.881 22.084 -12.394 1.00 0.00 C ATOM 1044 O GLN A 63 -25.886 21.999 -13.116 1.00 0.00 O ATOM 1045 CB GLN A 63 -26.114 22.621 -10.067 1.00 0.00 C ATOM 1046 CG GLN A 63 -24.833 23.169 -10.679 1.00 0.00 C ATOM 1047 CD GLN A 63 -24.168 24.221 -9.818 1.00 0.00 C ATOM 1048 OE1 GLN A 63 -24.821 24.959 -9.078 1.00 0.00 O ATOM 1049 NE2 GLN A 63 -22.854 24.304 -9.919 1.00 0.00 N ATOM 0 H GLN A 63 -25.197 20.307 -10.634 1.00 0.00 H new ATOM 0 HA GLN A 63 -27.862 21.469 -10.596 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -26.793 23.450 -9.867 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -25.878 22.163 -9.106 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -24.135 22.348 -10.843 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -25.058 23.596 -11.656 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -22.350 23.674 -10.543 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -22.343 24.998 -9.373 1.00 0.00 H new ATOM 1058 N SER A 64 -28.053 22.569 -12.812 1.00 0.00 N ATOM 1059 CA SER A 64 -28.208 23.301 -14.073 1.00 0.00 C ATOM 1060 C SER A 64 -27.573 22.559 -15.258 1.00 0.00 C ATOM 1061 O SER A 64 -26.986 23.168 -16.154 1.00 0.00 O ATOM 1062 CB SER A 64 -27.598 24.699 -13.909 1.00 0.00 C ATOM 1063 OG SER A 64 -27.902 25.556 -15.001 1.00 0.00 O ATOM 0 H SER A 64 -28.921 22.466 -12.287 1.00 0.00 H new ATOM 0 HA SER A 64 -29.271 23.383 -14.299 1.00 0.00 H new ATOM 0 HB2 SER A 64 -27.967 25.147 -12.986 1.00 0.00 H new ATOM 0 HB3 SER A 64 -26.516 24.611 -13.811 1.00 0.00 H new ATOM 0 HG SER A 64 -27.713 25.092 -15.843 1.00 0.00 H new ATOM 1069 N LYS A 65 -27.733 21.242 -15.286 1.00 0.00 N ATOM 1070 CA LYS A 65 -27.174 20.439 -16.364 1.00 0.00 C ATOM 1071 C LYS A 65 -27.824 20.817 -17.696 1.00 0.00 C ATOM 1072 O LYS A 65 -27.244 20.632 -18.766 1.00 0.00 O ATOM 1073 CB LYS A 65 -27.293 18.939 -16.061 1.00 0.00 C ATOM 1074 CG LYS A 65 -28.686 18.465 -15.678 1.00 0.00 C ATOM 1075 CD LYS A 65 -28.644 17.049 -15.116 1.00 0.00 C ATOM 1076 CE LYS A 65 -27.919 17.006 -13.776 1.00 0.00 C ATOM 1077 NZ LYS A 65 -27.566 15.618 -13.362 1.00 0.00 N ATOM 0 H LYS A 65 -28.242 20.711 -14.579 1.00 0.00 H new ATOM 0 HA LYS A 65 -26.108 20.654 -16.445 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -26.965 18.380 -16.937 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -26.607 18.693 -15.251 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -29.114 19.141 -14.938 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -29.337 18.495 -16.551 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -29.660 16.674 -14.994 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -28.143 16.389 -15.824 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -27.011 17.605 -13.839 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -28.549 17.461 -13.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -27.328 15.608 -12.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -28.375 14.988 -13.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -26.748 15.289 -13.913 1.00 0.00 H new ATOM 1091 N ASN A 66 -29.030 21.357 -17.617 1.00 0.00 N ATOM 1092 CA ASN A 66 -29.685 21.929 -18.782 1.00 0.00 C ATOM 1093 C ASN A 66 -30.215 23.315 -18.453 1.00 0.00 C ATOM 1094 O ASN A 66 -29.915 23.876 -17.406 1.00 0.00 O ATOM 1095 CB ASN A 66 -30.824 21.036 -19.302 1.00 0.00 C ATOM 1096 CG ASN A 66 -31.934 20.792 -18.287 1.00 0.00 C ATOM 1097 OD1 ASN A 66 -32.222 21.630 -17.432 1.00 0.00 O ATOM 1098 ND2 ASN A 66 -32.585 19.646 -18.392 1.00 0.00 N ATOM 0 H ASN A 66 -29.576 21.411 -16.757 1.00 0.00 H new ATOM 0 HA ASN A 66 -28.940 22.002 -19.575 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -31.254 21.495 -20.192 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -30.408 20.076 -19.608 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -33.351 19.434 -17.753 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -32.321 18.973 -19.112 1.00 0.00 H new ATOM 1105 N CYS A 67 -31.000 23.867 -19.354 1.00 0.00 N ATOM 1106 CA CYS A 67 -31.632 25.147 -19.115 1.00 0.00 C ATOM 1107 C CYS A 67 -32.912 25.193 -19.922 1.00 0.00 C ATOM 1108 O CYS A 67 -33.068 24.410 -20.859 1.00 0.00 O ATOM 1109 CB CYS A 67 -30.712 26.312 -19.487 1.00 0.00 C ATOM 1110 SG CYS A 67 -30.699 26.718 -21.259 1.00 0.00 S ATOM 0 H CYS A 67 -31.216 23.449 -20.259 1.00 0.00 H new ATOM 0 HA CYS A 67 -31.849 25.252 -18.052 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -31.018 27.195 -18.926 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -29.696 26.072 -19.174 1.00 0.00 H new ATOM 0 HG CYS A 67 -30.751 25.622 -21.956 1.00 0.00 H new ATOM 1115 N SER A 68 -33.789 26.123 -19.603 1.00 0.00 N ATOM 1116 CA SER A 68 -35.139 26.127 -20.166 1.00 0.00 C ATOM 1117 C SER A 68 -35.099 26.321 -21.685 1.00 0.00 C ATOM 1118 O SER A 68 -35.869 25.705 -22.419 1.00 0.00 O ATOM 1119 CB SER A 68 -35.990 27.213 -19.497 1.00 0.00 C ATOM 1120 OG SER A 68 -37.334 27.170 -19.946 1.00 0.00 O ATOM 0 H SER A 68 -33.598 26.889 -18.957 1.00 0.00 H new ATOM 0 HA SER A 68 -35.598 25.158 -19.968 1.00 0.00 H new ATOM 0 HB2 SER A 68 -35.962 27.083 -18.415 1.00 0.00 H new ATOM 0 HB3 SER A 68 -35.565 28.193 -19.711 1.00 0.00 H new ATOM 0 HG SER A 68 -37.851 27.873 -19.500 1.00 0.00 H new ATOM 1126 N TYR A 69 -34.165 27.152 -22.139 1.00 0.00 N ATOM 1127 CA TYR A 69 -33.962 27.432 -23.564 1.00 0.00 C ATOM 1128 C TYR A 69 -33.725 26.151 -24.371 1.00 0.00 C ATOM 1129 O TYR A 69 -33.919 26.124 -25.583 1.00 0.00 O ATOM 1130 CB TYR A 69 -32.756 28.362 -23.721 1.00 0.00 C ATOM 1131 CG TYR A 69 -32.837 29.298 -24.903 1.00 0.00 C ATOM 1132 CD1 TYR A 69 -32.570 28.856 -26.190 1.00 0.00 C ATOM 1133 CD2 TYR A 69 -33.172 30.633 -24.723 1.00 0.00 C ATOM 1134 CE1 TYR A 69 -32.639 29.718 -27.266 1.00 0.00 C ATOM 1135 CE2 TYR A 69 -33.241 31.501 -25.792 1.00 0.00 C ATOM 1136 CZ TYR A 69 -32.972 31.040 -27.061 1.00 0.00 C ATOM 1137 OH TYR A 69 -33.029 31.905 -28.131 1.00 0.00 O ATOM 0 H TYR A 69 -33.522 27.655 -21.528 1.00 0.00 H new ATOM 0 HA TYR A 69 -34.866 27.904 -23.949 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -32.649 28.954 -22.812 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -31.855 27.755 -23.815 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -32.304 27.822 -26.353 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -33.382 30.998 -23.729 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -32.433 29.359 -28.263 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -33.505 32.536 -25.635 1.00 0.00 H new ATOM 0 HH TYR A 69 -33.689 32.606 -27.950 1.00 0.00 H new ATOM 1147 N CYS A 70 -33.292 25.095 -23.697 1.00 0.00 N ATOM 1148 CA CYS A 70 -33.015 23.831 -24.369 1.00 0.00 C ATOM 1149 C CYS A 70 -33.816 22.707 -23.726 1.00 0.00 C ATOM 1150 O CYS A 70 -33.584 21.529 -23.990 1.00 0.00 O ATOM 1151 CB CYS A 70 -31.520 23.509 -24.323 1.00 0.00 C ATOM 1152 SG CYS A 70 -30.864 23.258 -22.644 1.00 0.00 S ATOM 0 H CYS A 70 -33.125 25.087 -22.691 1.00 0.00 H new ATOM 0 HA CYS A 70 -33.314 23.924 -25.413 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -31.335 22.611 -24.912 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -30.970 24.321 -24.799 1.00 0.00 H new ATOM 0 HG CYS A 70 -31.619 23.878 -21.786 1.00 0.00 H new ATOM 1157 N SER A 71 -34.760 23.084 -22.881 1.00 0.00 N ATOM 1158 CA SER A 71 -35.600 22.122 -22.200 1.00 0.00 C ATOM 1159 C SER A 71 -36.983 22.107 -22.832 1.00 0.00 C ATOM 1160 O SER A 71 -37.666 23.131 -22.890 1.00 0.00 O ATOM 1161 CB SER A 71 -35.692 22.457 -20.706 1.00 0.00 C ATOM 1162 OG SER A 71 -36.423 21.472 -19.993 1.00 0.00 O ATOM 0 H SER A 71 -34.962 24.057 -22.651 1.00 0.00 H new ATOM 0 HA SER A 71 -35.158 21.131 -22.300 1.00 0.00 H new ATOM 0 HB2 SER A 71 -34.688 22.539 -20.289 1.00 0.00 H new ATOM 0 HB3 SER A 71 -36.170 23.428 -20.579 1.00 0.00 H new ATOM 0 HG SER A 71 -37.357 21.756 -19.907 1.00 0.00 H new ATOM 1168 N GLU A 72 -37.385 20.948 -23.318 1.00 0.00 N ATOM 1169 CA GLU A 72 -38.691 20.792 -23.927 1.00 0.00 C ATOM 1170 C GLU A 72 -39.735 20.539 -22.850 1.00 0.00 C ATOM 1171 O GLU A 72 -40.927 20.757 -23.056 1.00 0.00 O ATOM 1172 CB GLU A 72 -38.658 19.650 -24.951 1.00 0.00 C ATOM 1173 CG GLU A 72 -38.253 18.311 -24.358 1.00 0.00 C ATOM 1174 CD GLU A 72 -37.897 17.282 -25.412 1.00 0.00 C ATOM 1175 OE1 GLU A 72 -38.817 16.746 -26.070 1.00 0.00 O ATOM 1176 OE2 GLU A 72 -36.692 17.003 -25.585 1.00 0.00 O ATOM 0 H GLU A 72 -36.822 20.097 -23.302 1.00 0.00 H new ATOM 0 HA GLU A 72 -38.960 21.708 -24.453 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -39.644 19.553 -25.406 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -37.963 19.909 -25.749 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -37.399 18.456 -23.696 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -39.070 17.929 -23.746 1.00 0.00 H new ATOM 1183 N ASP A 73 -39.276 20.065 -21.700 1.00 0.00 N ATOM 1184 CA ASP A 73 -40.145 19.887 -20.552 1.00 0.00 C ATOM 1185 C ASP A 73 -40.243 21.184 -19.757 1.00 0.00 C ATOM 1186 O ASP A 73 -39.243 21.878 -19.547 1.00 0.00 O ATOM 1187 CB ASP A 73 -39.640 18.757 -19.658 1.00 0.00 C ATOM 1188 CG ASP A 73 -40.617 18.441 -18.545 1.00 0.00 C ATOM 1189 OD1 ASP A 73 -41.585 17.692 -18.796 1.00 0.00 O ATOM 1190 OD2 ASP A 73 -40.432 18.950 -17.426 1.00 0.00 O ATOM 0 H ASP A 73 -38.305 19.797 -21.540 1.00 0.00 H new ATOM 0 HA ASP A 73 -41.138 19.619 -20.914 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -39.474 17.864 -20.260 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -38.678 19.036 -19.229 1.00 0.00 H new ATOM 1195 N GLU A 74 -41.452 21.501 -19.325 1.00 0.00 N ATOM 1196 CA GLU A 74 -41.728 22.747 -18.615 1.00 0.00 C ATOM 1197 C GLU A 74 -41.418 22.640 -17.126 1.00 0.00 C ATOM 1198 O GLU A 74 -41.191 23.649 -16.461 1.00 0.00 O ATOM 1199 CB GLU A 74 -43.195 23.127 -18.804 1.00 0.00 C ATOM 1200 CG GLU A 74 -43.554 23.442 -20.242 1.00 0.00 C ATOM 1201 CD GLU A 74 -42.914 24.724 -20.721 1.00 0.00 C ATOM 1202 OE1 GLU A 74 -41.733 24.701 -21.117 1.00 0.00 O ATOM 1203 OE2 GLU A 74 -43.591 25.770 -20.685 1.00 0.00 O ATOM 0 H GLU A 74 -42.271 20.906 -19.454 1.00 0.00 H new ATOM 0 HA GLU A 74 -41.080 23.517 -19.033 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -43.823 22.309 -18.451 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -43.421 23.993 -18.183 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -43.238 22.619 -20.883 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -44.637 23.521 -20.336 1.00 0.00 H new ATOM 1210 N ASN A 75 -41.382 21.420 -16.612 1.00 0.00 N ATOM 1211 CA ASN A 75 -41.265 21.203 -15.174 1.00 0.00 C ATOM 1212 C ASN A 75 -39.832 20.864 -14.786 1.00 0.00 C ATOM 1213 O ASN A 75 -39.588 20.180 -13.791 1.00 0.00 O ATOM 1214 CB ASN A 75 -42.213 20.084 -14.722 1.00 0.00 C ATOM 1215 CG ASN A 75 -43.651 20.332 -15.143 1.00 0.00 C ATOM 1216 OD1 ASN A 75 -44.079 19.893 -16.212 1.00 0.00 O ATOM 1217 ND2 ASN A 75 -44.411 21.033 -14.314 1.00 0.00 N ATOM 0 H ASN A 75 -41.432 20.565 -17.166 1.00 0.00 H new ATOM 0 HA ASN A 75 -41.545 22.129 -14.671 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -41.875 19.135 -15.139 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -42.167 19.990 -13.637 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -45.384 21.225 -14.553 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -44.023 21.381 -13.437 1.00 0.00 H new ATOM 1224 N CYS A 76 -38.883 21.352 -15.569 1.00 0.00 N ATOM 1225 CA CYS A 76 -37.476 21.146 -15.270 1.00 0.00 C ATOM 1226 C CYS A 76 -37.023 22.150 -14.210 1.00 0.00 C ATOM 1227 O CYS A 76 -37.559 23.256 -14.127 1.00 0.00 O ATOM 1228 CB CYS A 76 -36.632 21.285 -16.539 1.00 0.00 C ATOM 1229 SG CYS A 76 -34.909 20.777 -16.335 1.00 0.00 S ATOM 0 H CYS A 76 -39.062 21.893 -16.415 1.00 0.00 H new ATOM 0 HA CYS A 76 -37.339 20.136 -14.882 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -37.085 20.689 -17.331 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -36.657 22.324 -16.868 1.00 0.00 H new ATOM 0 HG CYS A 76 -34.142 21.548 -17.048 1.00 0.00 H new ATOM 1235 N ASN A 77 -36.049 21.765 -13.399 1.00 0.00 N ATOM 1236 CA ASN A 77 -35.597 22.609 -12.300 1.00 0.00 C ATOM 1237 C ASN A 77 -34.293 23.320 -12.636 1.00 0.00 C ATOM 1238 O ASN A 77 -33.243 22.687 -12.767 1.00 0.00 O ATOM 1239 CB ASN A 77 -35.416 21.781 -11.023 1.00 0.00 C ATOM 1240 CG ASN A 77 -34.929 22.616 -9.851 1.00 0.00 C ATOM 1241 OD1 ASN A 77 -33.725 22.763 -9.628 1.00 0.00 O ATOM 1242 ND2 ASN A 77 -35.861 23.160 -9.084 1.00 0.00 N ATOM 0 H ASN A 77 -35.556 20.875 -13.480 1.00 0.00 H new ATOM 0 HA ASN A 77 -36.366 23.364 -12.136 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -36.364 21.312 -10.761 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -34.704 20.978 -11.213 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -35.593 23.723 -8.277 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -36.847 23.016 -9.300 1.00 0.00 H new ATOM 1249 N ASN A 78 -34.377 24.637 -12.778 1.00 0.00 N ATOM 1250 CA ASN A 78 -33.200 25.483 -12.961 1.00 0.00 C ATOM 1251 C ASN A 78 -33.623 26.946 -13.000 1.00 0.00 C ATOM 1252 O ASN A 78 -34.731 27.267 -13.429 1.00 0.00 O ATOM 1253 CB ASN A 78 -32.433 25.115 -14.239 1.00 0.00 C ATOM 1254 CG ASN A 78 -31.159 25.923 -14.406 1.00 0.00 C ATOM 1255 OD1 ASN A 78 -30.586 26.422 -13.434 1.00 0.00 O ATOM 1256 ND2 ASN A 78 -30.695 26.037 -15.635 1.00 0.00 N ATOM 0 H ASN A 78 -35.259 25.149 -12.770 1.00 0.00 H new ATOM 0 HA ASN A 78 -32.529 25.320 -12.118 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -32.186 24.054 -14.218 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -33.077 25.275 -15.104 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -29.832 26.553 -15.809 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -31.199 25.609 -16.412 1.00 0.00 H new ATOM 1263 N LEU A 79 -32.747 27.823 -12.538 1.00 0.00 N ATOM 1264 CA LEU A 79 -33.046 29.248 -12.471 1.00 0.00 C ATOM 1265 C LEU A 79 -32.412 29.979 -13.639 1.00 0.00 C ATOM 1266 O LEU A 79 -33.015 30.870 -14.236 1.00 0.00 O ATOM 1267 CB LEU A 79 -32.522 29.851 -11.165 1.00 0.00 C ATOM 1268 CG LEU A 79 -33.148 29.304 -9.885 1.00 0.00 C ATOM 1269 CD1 LEU A 79 -32.536 27.967 -9.493 1.00 0.00 C ATOM 1270 CD2 LEU A 79 -32.998 30.312 -8.760 1.00 0.00 C ATOM 0 H LEU A 79 -31.817 27.573 -12.201 1.00 0.00 H new ATOM 0 HA LEU A 79 -34.129 29.362 -12.513 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -31.445 29.690 -11.118 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -32.682 30.929 -11.194 1.00 0.00 H new ATOM 0 HG LEU A 79 -34.209 29.137 -10.071 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -33.005 27.607 -8.577 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -32.698 27.244 -10.293 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -31.466 28.091 -9.328 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -33.448 29.912 -7.851 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -31.940 30.508 -8.586 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -33.498 31.241 -9.034 1.00 0.00 H new ATOM 1282 N LEU A 80 -31.183 29.600 -13.945 1.00 0.00 N ATOM 1283 CA LEU A 80 -30.419 30.252 -15.002 1.00 0.00 C ATOM 1284 C LEU A 80 -30.952 29.884 -16.380 1.00 0.00 C ATOM 1285 O LEU A 80 -30.849 28.737 -16.820 1.00 0.00 O ATOM 1286 CB LEU A 80 -28.929 29.897 -14.913 1.00 0.00 C ATOM 1287 CG LEU A 80 -28.160 30.520 -13.740 1.00 0.00 C ATOM 1288 CD1 LEU A 80 -28.461 32.005 -13.624 1.00 0.00 C ATOM 1289 CD2 LEU A 80 -28.467 29.797 -12.439 1.00 0.00 C ATOM 0 H LEU A 80 -30.689 28.841 -13.476 1.00 0.00 H new ATOM 0 HA LEU A 80 -30.532 31.327 -14.859 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -28.837 28.813 -14.848 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -28.447 30.202 -15.842 1.00 0.00 H new ATOM 0 HG LEU A 80 -27.094 30.407 -13.939 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -27.905 32.425 -12.786 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -28.166 32.509 -14.544 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -29.529 32.148 -13.459 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -27.909 30.260 -11.625 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -29.535 29.862 -12.230 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -28.178 28.750 -12.528 1.00 0.00 H new ATOM 1301 N GLU A 81 -31.529 30.862 -17.057 1.00 0.00 N ATOM 1302 CA GLU A 81 -32.001 30.662 -18.412 1.00 0.00 C ATOM 1303 C GLU A 81 -30.945 31.117 -19.407 1.00 0.00 C ATOM 1304 O GLU A 81 -30.301 32.143 -19.217 1.00 0.00 O ATOM 1305 CB GLU A 81 -33.309 31.411 -18.656 1.00 0.00 C ATOM 1306 CG GLU A 81 -33.774 31.356 -20.104 1.00 0.00 C ATOM 1307 CD GLU A 81 -34.097 29.950 -20.576 1.00 0.00 C ATOM 1308 OE1 GLU A 81 -33.202 29.063 -20.535 1.00 0.00 O ATOM 1309 OE2 GLU A 81 -35.244 29.726 -21.012 1.00 0.00 O ATOM 0 H GLU A 81 -31.681 31.801 -16.689 1.00 0.00 H new ATOM 0 HA GLU A 81 -32.189 29.597 -18.551 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -34.085 30.990 -18.016 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -33.183 32.453 -18.362 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -34.658 31.983 -20.219 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -32.999 31.778 -20.744 1.00 0.00 H new ATOM 1316 N GLY A 82 -30.777 30.335 -20.461 1.00 0.00 N ATOM 1317 CA GLY A 82 -29.819 30.662 -21.495 1.00 0.00 C ATOM 1318 C GLY A 82 -28.388 30.341 -21.112 1.00 0.00 C ATOM 1319 O GLY A 82 -27.496 30.415 -21.948 1.00 0.00 O ATOM 0 H GLY A 82 -31.294 29.470 -20.620 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -30.075 30.117 -22.403 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -29.896 31.724 -21.728 1.00 0.00 H new ATOM 1323 N TYR A 83 -28.165 29.962 -19.861 1.00 0.00 N ATOM 1324 CA TYR A 83 -26.819 29.670 -19.387 1.00 0.00 C ATOM 1325 C TYR A 83 -26.742 28.282 -18.771 1.00 0.00 C ATOM 1326 O TYR A 83 -27.748 27.738 -18.317 1.00 0.00 O ATOM 1327 CB TYR A 83 -26.373 30.704 -18.348 1.00 0.00 C ATOM 1328 CG TYR A 83 -26.272 32.120 -18.873 1.00 0.00 C ATOM 1329 CD1 TYR A 83 -25.094 32.589 -19.438 1.00 0.00 C ATOM 1330 CD2 TYR A 83 -27.353 32.986 -18.793 1.00 0.00 C ATOM 1331 CE1 TYR A 83 -24.996 33.884 -19.911 1.00 0.00 C ATOM 1332 CE2 TYR A 83 -27.265 34.280 -19.263 1.00 0.00 C ATOM 1333 CZ TYR A 83 -26.087 34.724 -19.822 1.00 0.00 C ATOM 1334 OH TYR A 83 -25.999 36.017 -20.287 1.00 0.00 O ATOM 0 H TYR A 83 -28.896 29.850 -19.158 1.00 0.00 H new ATOM 0 HA TYR A 83 -26.155 29.713 -20.251 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -27.075 30.689 -17.514 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -25.402 30.407 -17.952 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -24.240 31.931 -19.509 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -28.278 32.641 -18.356 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -24.073 34.236 -20.347 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -28.116 34.942 -19.193 1.00 0.00 H new ATOM 0 HH TYR A 83 -26.856 36.473 -20.150 1.00 0.00 H new ATOM 1344 N HIS A 84 -25.548 27.703 -18.805 1.00 0.00 N ATOM 1345 CA HIS A 84 -25.241 26.488 -18.054 1.00 0.00 C ATOM 1346 C HIS A 84 -23.962 26.719 -17.271 1.00 0.00 C ATOM 1347 O HIS A 84 -23.161 27.582 -17.632 1.00 0.00 O ATOM 1348 CB HIS A 84 -25.022 25.266 -18.955 1.00 0.00 C ATOM 1349 CG HIS A 84 -26.221 24.770 -19.699 1.00 0.00 C ATOM 1350 ND1 HIS A 84 -26.417 23.440 -20.010 1.00 0.00 N ATOM 1351 CD2 HIS A 84 -27.187 25.451 -20.347 1.00 0.00 C ATOM 1352 CE1 HIS A 84 -27.457 23.368 -20.846 1.00 0.00 C ATOM 1353 NE2 HIS A 84 -27.949 24.568 -21.083 1.00 0.00 N ATOM 0 H HIS A 84 -24.765 28.060 -19.353 1.00 0.00 H new ATOM 0 HA HIS A 84 -26.095 26.282 -17.409 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -24.246 25.510 -19.680 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -24.639 24.451 -18.340 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -25.867 22.654 -19.664 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -27.340 26.519 -20.298 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -27.842 22.452 -21.270 1.00 0.00 H new ATOM 1361 N PRO A 85 -23.750 25.959 -16.205 1.00 0.00 N ATOM 1362 CA PRO A 85 -22.534 26.040 -15.419 1.00 0.00 C ATOM 1363 C PRO A 85 -21.399 25.269 -16.079 1.00 0.00 C ATOM 1364 O PRO A 85 -21.632 24.285 -16.780 1.00 0.00 O ATOM 1365 CB PRO A 85 -22.935 25.395 -14.095 1.00 0.00 C ATOM 1366 CG PRO A 85 -23.998 24.414 -14.454 1.00 0.00 C ATOM 1367 CD PRO A 85 -24.678 24.944 -15.693 1.00 0.00 C ATOM 0 HA PRO A 85 -22.166 27.060 -15.307 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -22.086 24.902 -13.622 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -23.305 26.139 -13.389 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -23.569 23.429 -14.639 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -24.712 24.302 -13.638 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -24.847 24.153 -16.424 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -25.651 25.375 -15.460 1.00 0.00 H new ATOM 1375 N LYS A 86 -20.182 25.737 -15.887 1.00 0.00 N ATOM 1376 CA LYS A 86 -19.019 25.034 -16.380 1.00 0.00 C ATOM 1377 C LYS A 86 -17.926 25.051 -15.334 1.00 0.00 C ATOM 1378 O LYS A 86 -17.775 26.020 -14.587 1.00 0.00 O ATOM 1379 CB LYS A 86 -18.505 25.660 -17.674 1.00 0.00 C ATOM 1380 CG LYS A 86 -17.497 24.790 -18.405 1.00 0.00 C ATOM 1381 CD LYS A 86 -16.954 25.479 -19.644 1.00 0.00 C ATOM 1382 CE LYS A 86 -15.723 26.318 -19.333 1.00 0.00 C ATOM 1383 NZ LYS A 86 -14.545 25.475 -18.976 1.00 0.00 N ATOM 0 H LYS A 86 -19.974 26.604 -15.391 1.00 0.00 H new ATOM 0 HA LYS A 86 -19.308 24.004 -16.590 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -19.350 25.858 -18.334 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -18.046 26.622 -17.446 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -16.673 24.545 -17.734 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -17.967 23.848 -18.689 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -16.703 24.730 -20.395 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -17.728 26.115 -20.074 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -15.478 26.935 -20.197 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -15.946 26.996 -18.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -13.676 26.042 -19.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -14.648 25.130 -18.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -14.488 24.665 -19.625 1.00 0.00 H new ATOM 1397 N LEU A 87 -17.197 23.963 -15.270 1.00 0.00 N ATOM 1398 CA LEU A 87 -16.064 23.854 -14.382 1.00 0.00 C ATOM 1399 C LEU A 87 -14.948 24.779 -14.855 1.00 0.00 C ATOM 1400 O LEU A 87 -14.582 24.770 -16.033 1.00 0.00 O ATOM 1401 CB LEU A 87 -15.594 22.404 -14.366 1.00 0.00 C ATOM 1402 CG LEU A 87 -15.559 21.721 -13.001 1.00 0.00 C ATOM 1403 CD1 LEU A 87 -16.781 22.088 -12.172 1.00 0.00 C ATOM 1404 CD2 LEU A 87 -15.494 20.220 -13.196 1.00 0.00 C ATOM 0 H LEU A 87 -17.372 23.129 -15.831 1.00 0.00 H new ATOM 0 HA LEU A 87 -16.346 24.151 -13.372 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -16.245 21.826 -15.022 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -14.593 22.364 -14.795 1.00 0.00 H new ATOM 0 HG LEU A 87 -14.675 22.062 -12.462 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -16.729 21.587 -11.205 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -16.807 23.167 -12.021 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -17.684 21.773 -12.695 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -15.469 19.728 -12.224 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -16.372 19.887 -13.749 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -14.594 19.964 -13.756 1.00 0.00 H new ATOM 1416 N VAL A 88 -14.438 25.597 -13.949 1.00 0.00 N ATOM 1417 CA VAL A 88 -13.355 26.512 -14.274 1.00 0.00 C ATOM 1418 C VAL A 88 -12.219 26.352 -13.275 1.00 0.00 C ATOM 1419 O VAL A 88 -12.453 26.063 -12.102 1.00 0.00 O ATOM 1420 CB VAL A 88 -13.818 27.991 -14.279 1.00 0.00 C ATOM 1421 CG1 VAL A 88 -15.011 28.188 -15.197 1.00 0.00 C ATOM 1422 CG2 VAL A 88 -14.154 28.475 -12.876 1.00 0.00 C ATOM 0 H VAL A 88 -14.757 25.646 -12.981 1.00 0.00 H new ATOM 0 HA VAL A 88 -13.015 26.260 -15.279 1.00 0.00 H new ATOM 0 HB VAL A 88 -12.986 28.586 -14.656 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -15.314 29.235 -15.180 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -14.738 27.905 -16.214 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -15.839 27.565 -14.857 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -14.475 29.516 -12.917 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -14.957 27.864 -12.463 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -13.272 28.392 -12.242 1.00 0.00 H new ATOM 1432 N VAL A 89 -10.995 26.512 -13.735 1.00 0.00 N ATOM 1433 CA VAL A 89 -9.862 26.488 -12.832 1.00 0.00 C ATOM 1434 C VAL A 89 -9.361 27.904 -12.593 1.00 0.00 C ATOM 1435 O VAL A 89 -8.931 28.604 -13.516 1.00 0.00 O ATOM 1436 CB VAL A 89 -8.716 25.576 -13.336 1.00 0.00 C ATOM 1437 CG1 VAL A 89 -8.168 26.053 -14.669 1.00 0.00 C ATOM 1438 CG2 VAL A 89 -7.604 25.489 -12.299 1.00 0.00 C ATOM 0 H VAL A 89 -10.760 26.658 -14.717 1.00 0.00 H new ATOM 0 HA VAL A 89 -10.204 26.061 -11.889 1.00 0.00 H new ATOM 0 HB VAL A 89 -9.130 24.579 -13.487 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -7.366 25.389 -14.991 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.965 26.047 -15.413 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.780 27.066 -14.561 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.808 24.844 -12.672 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -7.204 26.485 -12.109 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.002 25.075 -11.372 1.00 0.00 H new ATOM 1448 N ASN A 90 -9.468 28.340 -11.358 1.00 0.00 N ATOM 1449 CA ASN A 90 -9.012 29.661 -10.983 1.00 0.00 C ATOM 1450 C ASN A 90 -7.851 29.534 -10.017 1.00 0.00 C ATOM 1451 O ASN A 90 -8.046 29.357 -8.813 1.00 0.00 O ATOM 1452 CB ASN A 90 -10.153 30.473 -10.359 1.00 0.00 C ATOM 1453 CG ASN A 90 -11.224 30.845 -11.369 1.00 0.00 C ATOM 1454 OD1 ASN A 90 -10.940 31.044 -12.552 1.00 0.00 O ATOM 1455 ND2 ASN A 90 -12.464 30.939 -10.913 1.00 0.00 N ATOM 0 H ASN A 90 -9.868 27.797 -10.593 1.00 0.00 H new ATOM 0 HA ASN A 90 -8.679 30.192 -11.875 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -10.605 29.897 -9.551 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -9.747 31.381 -9.914 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -13.224 31.184 -11.548 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -12.659 30.767 -9.927 1.00 0.00 H new ATOM 1462 N GLY A 91 -6.645 29.597 -10.557 1.00 0.00 N ATOM 1463 CA GLY A 91 -5.462 29.416 -9.749 1.00 0.00 C ATOM 1464 C GLY A 91 -5.319 27.988 -9.271 1.00 0.00 C ATOM 1465 O GLY A 91 -5.149 27.068 -10.072 1.00 0.00 O ATOM 0 H GLY A 91 -6.465 29.771 -11.546 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -4.581 29.695 -10.327 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -5.504 30.084 -8.889 1.00 0.00 H new ATOM 1469 N ARG A 92 -5.405 27.800 -7.964 1.00 0.00 N ATOM 1470 CA ARG A 92 -5.284 26.478 -7.365 1.00 0.00 C ATOM 1471 C ARG A 92 -6.639 25.973 -6.874 1.00 0.00 C ATOM 1472 O ARG A 92 -6.717 25.055 -6.058 1.00 0.00 O ATOM 1473 CB ARG A 92 -4.286 26.525 -6.205 1.00 0.00 C ATOM 1474 CG ARG A 92 -2.838 26.694 -6.650 1.00 0.00 C ATOM 1475 CD ARG A 92 -2.294 25.421 -7.278 1.00 0.00 C ATOM 1476 NE ARG A 92 -2.294 24.311 -6.330 1.00 0.00 N ATOM 1477 CZ ARG A 92 -2.405 23.029 -6.672 1.00 0.00 C ATOM 1478 NH1 ARG A 92 -2.453 22.672 -7.950 1.00 0.00 N ATOM 1479 NH2 ARG A 92 -2.444 22.099 -5.731 1.00 0.00 N ATOM 0 H ARG A 92 -5.559 28.552 -7.292 1.00 0.00 H new ATOM 0 HA ARG A 92 -4.921 25.786 -8.125 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -4.552 27.348 -5.542 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -4.374 25.607 -5.624 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -2.770 27.512 -7.367 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -2.223 26.969 -5.793 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -2.896 25.158 -8.147 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -1.279 25.596 -7.635 1.00 0.00 H new ATOM 0 HE ARG A 92 -2.203 24.532 -5.339 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -2.405 23.383 -8.680 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -2.538 21.687 -8.202 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -2.389 22.366 -4.748 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -2.529 21.116 -5.989 1.00 0.00 H new ATOM 1493 N SER A 93 -7.707 26.571 -7.380 1.00 0.00 N ATOM 1494 CA SER A 93 -9.054 26.190 -6.985 1.00 0.00 C ATOM 1495 C SER A 93 -9.938 25.972 -8.211 1.00 0.00 C ATOM 1496 O SER A 93 -9.807 26.677 -9.212 1.00 0.00 O ATOM 1497 CB SER A 93 -9.660 27.274 -6.094 1.00 0.00 C ATOM 1498 OG SER A 93 -8.814 27.555 -4.990 1.00 0.00 O ATOM 0 H SER A 93 -7.666 27.324 -8.067 1.00 0.00 H new ATOM 0 HA SER A 93 -8.998 25.254 -6.430 1.00 0.00 H new ATOM 0 HB2 SER A 93 -9.818 28.182 -6.676 1.00 0.00 H new ATOM 0 HB3 SER A 93 -10.637 26.951 -5.735 1.00 0.00 H new ATOM 0 HG SER A 93 -9.221 28.253 -4.435 1.00 0.00 H new ATOM 1504 N ILE A 94 -10.823 24.988 -8.134 1.00 0.00 N ATOM 1505 CA ILE A 94 -11.773 24.737 -9.203 1.00 0.00 C ATOM 1506 C ILE A 94 -13.143 25.287 -8.818 1.00 0.00 C ATOM 1507 O ILE A 94 -13.693 24.937 -7.774 1.00 0.00 O ATOM 1508 CB ILE A 94 -11.883 23.232 -9.529 1.00 0.00 C ATOM 1509 CG1 ILE A 94 -10.513 22.687 -9.943 1.00 0.00 C ATOM 1510 CG2 ILE A 94 -12.909 22.999 -10.629 1.00 0.00 C ATOM 1511 CD1 ILE A 94 -10.485 21.189 -10.166 1.00 0.00 C ATOM 0 H ILE A 94 -10.901 24.351 -7.341 1.00 0.00 H new ATOM 0 HA ILE A 94 -11.411 25.245 -10.097 1.00 0.00 H new ATOM 0 HB ILE A 94 -12.216 22.701 -8.637 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -10.197 23.186 -10.859 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -9.785 22.943 -9.174 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -12.974 21.933 -10.846 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -13.883 23.362 -10.301 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -12.606 23.535 -11.529 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -9.480 20.883 -10.456 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -10.768 20.679 -9.245 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -11.187 20.926 -10.957 1.00 0.00 H new ATOM 1523 N ASP A 95 -13.681 26.151 -9.663 1.00 0.00 N ATOM 1524 CA ASP A 95 -14.939 26.819 -9.378 1.00 0.00 C ATOM 1525 C ASP A 95 -15.941 26.507 -10.478 1.00 0.00 C ATOM 1526 O ASP A 95 -15.620 25.800 -11.438 1.00 0.00 O ATOM 1527 CB ASP A 95 -14.739 28.336 -9.279 1.00 0.00 C ATOM 1528 CG ASP A 95 -15.704 28.991 -8.307 1.00 0.00 C ATOM 1529 OD1 ASP A 95 -16.902 29.121 -8.637 1.00 0.00 O ATOM 1530 OD2 ASP A 95 -15.271 29.375 -7.200 1.00 0.00 O ATOM 0 H ASP A 95 -13.263 26.407 -10.557 1.00 0.00 H new ATOM 0 HA ASP A 95 -15.316 26.456 -8.422 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -13.716 28.544 -8.965 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -14.866 28.780 -10.266 1.00 0.00 H new ATOM 1535 N ILE A 96 -17.146 27.022 -10.334 1.00 0.00 N ATOM 1536 CA ILE A 96 -18.193 26.809 -11.319 1.00 0.00 C ATOM 1537 C ILE A 96 -18.755 28.143 -11.807 1.00 0.00 C ATOM 1538 O ILE A 96 -19.388 28.874 -11.043 1.00 0.00 O ATOM 1539 CB ILE A 96 -19.324 25.956 -10.725 1.00 0.00 C ATOM 1540 CG1 ILE A 96 -18.743 24.660 -10.159 1.00 0.00 C ATOM 1541 CG2 ILE A 96 -20.373 25.653 -11.781 1.00 0.00 C ATOM 1542 CD1 ILE A 96 -19.700 23.901 -9.278 1.00 0.00 C ATOM 0 H ILE A 96 -17.428 27.595 -9.539 1.00 0.00 H new ATOM 0 HA ILE A 96 -17.757 26.281 -12.167 1.00 0.00 H new ATOM 0 HB ILE A 96 -19.805 26.512 -9.920 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -18.437 24.018 -10.985 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -17.845 24.894 -9.588 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -21.167 25.048 -11.342 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -20.793 26.587 -12.155 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -19.913 25.107 -12.604 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -19.218 22.994 -8.914 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -19.987 24.524 -8.431 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -20.589 23.635 -9.851 1.00 0.00 H new ATOM 1554 N GLU A 97 -18.508 28.455 -13.074 1.00 0.00 N ATOM 1555 CA GLU A 97 -18.992 29.694 -13.678 1.00 0.00 C ATOM 1556 C GLU A 97 -19.758 29.372 -14.958 1.00 0.00 C ATOM 1557 O GLU A 97 -19.561 28.314 -15.543 1.00 0.00 O ATOM 1558 CB GLU A 97 -17.823 30.646 -13.940 1.00 0.00 C ATOM 1559 CG GLU A 97 -17.108 31.071 -12.660 1.00 0.00 C ATOM 1560 CD GLU A 97 -15.993 32.069 -12.892 1.00 0.00 C ATOM 1561 OE1 GLU A 97 -16.278 33.173 -13.400 1.00 0.00 O ATOM 1562 OE2 GLU A 97 -14.832 31.773 -12.531 1.00 0.00 O ATOM 0 H GLU A 97 -17.971 27.863 -13.708 1.00 0.00 H new ATOM 0 HA GLU A 97 -19.674 30.196 -12.992 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -17.109 30.162 -14.606 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -18.191 31.532 -14.457 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -17.836 31.505 -11.974 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -16.697 30.187 -12.172 1.00 0.00 H new ATOM 1569 N TYR A 98 -20.622 30.279 -15.389 1.00 0.00 N ATOM 1570 CA TYR A 98 -21.610 29.966 -16.418 1.00 0.00 C ATOM 1571 C TYR A 98 -21.185 30.390 -17.820 1.00 0.00 C ATOM 1572 O TYR A 98 -20.326 31.258 -17.999 1.00 0.00 O ATOM 1573 CB TYR A 98 -22.947 30.613 -16.054 1.00 0.00 C ATOM 1574 CG TYR A 98 -23.768 29.786 -15.093 1.00 0.00 C ATOM 1575 CD1 TYR A 98 -23.332 29.559 -13.791 1.00 0.00 C ATOM 1576 CD2 TYR A 98 -24.978 29.221 -15.485 1.00 0.00 C ATOM 1577 CE1 TYR A 98 -24.071 28.793 -12.914 1.00 0.00 C ATOM 1578 CE2 TYR A 98 -25.722 28.455 -14.610 1.00 0.00 C ATOM 1579 CZ TYR A 98 -25.266 28.245 -13.329 1.00 0.00 C ATOM 1580 OH TYR A 98 -26.004 27.479 -12.460 1.00 0.00 O ATOM 0 H TYR A 98 -20.661 31.238 -15.044 1.00 0.00 H new ATOM 0 HA TYR A 98 -21.706 28.881 -16.446 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -22.761 31.592 -15.613 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -23.523 30.778 -16.965 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -22.398 29.990 -13.462 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -25.341 29.384 -16.489 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -23.716 28.623 -11.908 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -26.658 28.022 -14.930 1.00 0.00 H new ATOM 0 HH TYR A 98 -25.849 27.785 -11.542 1.00 0.00 H new ATOM 1590 N TYR A 99 -21.805 29.745 -18.805 1.00 0.00 N ATOM 1591 CA TYR A 99 -21.617 30.069 -20.216 1.00 0.00 C ATOM 1592 C TYR A 99 -22.964 29.995 -20.937 1.00 0.00 C ATOM 1593 O TYR A 99 -23.903 29.364 -20.438 1.00 0.00 O ATOM 1594 CB TYR A 99 -20.619 29.105 -20.876 1.00 0.00 C ATOM 1595 CG TYR A 99 -21.073 27.659 -20.893 1.00 0.00 C ATOM 1596 CD1 TYR A 99 -20.775 26.814 -19.838 1.00 0.00 C ATOM 1597 CD2 TYR A 99 -21.796 27.141 -21.963 1.00 0.00 C ATOM 1598 CE1 TYR A 99 -21.184 25.496 -19.839 1.00 0.00 C ATOM 1599 CE2 TYR A 99 -22.212 25.823 -21.972 1.00 0.00 C ATOM 1600 CZ TYR A 99 -21.904 25.004 -20.907 1.00 0.00 C ATOM 1601 OH TYR A 99 -22.313 23.689 -20.912 1.00 0.00 O ATOM 0 H TYR A 99 -22.457 28.977 -18.645 1.00 0.00 H new ATOM 0 HA TYR A 99 -21.212 31.078 -20.290 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -20.440 29.430 -21.901 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -19.666 29.169 -20.350 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -20.212 27.193 -18.998 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -22.036 27.779 -22.800 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -20.941 24.852 -19.006 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -22.775 25.437 -22.809 1.00 0.00 H new ATOM 0 HH TYR A 99 -22.810 23.504 -21.736 1.00 0.00 H new ATOM 1611 N GLU A 100 -23.056 30.622 -22.103 1.00 0.00 N ATOM 1612 CA GLU A 100 -24.301 30.632 -22.865 1.00 0.00 C ATOM 1613 C GLU A 100 -24.588 29.270 -23.489 1.00 0.00 C ATOM 1614 O GLU A 100 -23.724 28.670 -24.134 1.00 0.00 O ATOM 1615 CB GLU A 100 -24.267 31.697 -23.966 1.00 0.00 C ATOM 1616 CG GLU A 100 -24.015 33.110 -23.463 1.00 0.00 C ATOM 1617 CD GLU A 100 -22.552 33.491 -23.502 1.00 0.00 C ATOM 1618 OE1 GLU A 100 -21.791 33.063 -22.612 1.00 0.00 O ATOM 1619 OE2 GLU A 100 -22.154 34.228 -24.430 1.00 0.00 O ATOM 0 H GLU A 100 -22.287 31.129 -22.542 1.00 0.00 H new ATOM 0 HA GLU A 100 -25.099 30.870 -22.162 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -23.490 31.436 -24.684 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -25.216 31.679 -24.502 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -24.586 33.814 -24.068 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -24.382 33.198 -22.440 1.00 0.00 H new ATOM 1626 N CYS A 101 -25.806 28.789 -23.264 1.00 0.00 N ATOM 1627 CA CYS A 101 -26.320 27.578 -23.908 1.00 0.00 C ATOM 1628 C CYS A 101 -26.035 27.605 -25.411 1.00 0.00 C ATOM 1629 O CYS A 101 -26.489 28.506 -26.113 1.00 0.00 O ATOM 1630 CB CYS A 101 -27.837 27.499 -23.675 1.00 0.00 C ATOM 1631 SG CYS A 101 -28.645 25.957 -24.227 1.00 0.00 S ATOM 0 H CYS A 101 -26.471 29.228 -22.627 1.00 0.00 H new ATOM 0 HA CYS A 101 -25.826 26.707 -23.478 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -28.029 27.627 -22.610 1.00 0.00 H new ATOM 0 HB3 CYS A 101 -28.309 28.338 -24.187 1.00 0.00 H new ATOM 0 HG CYS A 101 -28.605 25.079 -23.269 1.00 0.00 H new ATOM 1636 N PRO A 102 -25.315 26.594 -25.930 1.00 0.00 N ATOM 1637 CA PRO A 102 -24.958 26.524 -27.355 1.00 0.00 C ATOM 1638 C PRO A 102 -26.177 26.319 -28.246 1.00 0.00 C ATOM 1639 O PRO A 102 -26.165 26.649 -29.433 1.00 0.00 O ATOM 1640 CB PRO A 102 -24.023 25.314 -27.434 1.00 0.00 C ATOM 1641 CG PRO A 102 -24.360 24.485 -26.241 1.00 0.00 C ATOM 1642 CD PRO A 102 -24.768 25.455 -25.169 1.00 0.00 C ATOM 0 HA PRO A 102 -24.502 27.450 -27.706 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -24.177 24.756 -28.358 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -22.977 25.622 -27.418 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -25.167 23.788 -26.465 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -23.504 23.890 -25.924 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -25.512 25.024 -24.499 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -23.920 25.753 -24.553 1.00 0.00 H new ATOM 1650 N VAL A 103 -27.237 25.789 -27.651 1.00 0.00 N ATOM 1651 CA VAL A 103 -28.480 25.527 -28.369 1.00 0.00 C ATOM 1652 C VAL A 103 -29.162 26.835 -28.778 1.00 0.00 C ATOM 1653 O VAL A 103 -30.037 26.850 -29.641 1.00 0.00 O ATOM 1654 CB VAL A 103 -29.447 24.685 -27.503 1.00 0.00 C ATOM 1655 CG1 VAL A 103 -30.676 24.261 -28.296 1.00 0.00 C ATOM 1656 CG2 VAL A 103 -28.732 23.473 -26.933 1.00 0.00 C ATOM 0 H VAL A 103 -27.262 25.530 -26.665 1.00 0.00 H new ATOM 0 HA VAL A 103 -28.229 24.965 -29.269 1.00 0.00 H new ATOM 0 HB VAL A 103 -29.786 25.309 -26.676 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -31.335 23.671 -27.659 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -31.207 25.147 -28.646 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -30.367 23.661 -29.152 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -29.427 22.892 -26.327 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -28.358 22.854 -27.749 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -27.897 23.801 -26.314 1.00 0.00 H new ATOM 1666 N LYS A 104 -28.742 27.942 -28.167 1.00 0.00 N ATOM 1667 CA LYS A 104 -29.322 29.241 -28.476 1.00 0.00 C ATOM 1668 C LYS A 104 -28.910 29.684 -29.877 1.00 0.00 C ATOM 1669 O LYS A 104 -29.576 30.505 -30.507 1.00 0.00 O ATOM 1670 CB LYS A 104 -28.883 30.294 -27.454 1.00 0.00 C ATOM 1671 CG LYS A 104 -29.727 31.549 -27.519 1.00 0.00 C ATOM 1672 CD LYS A 104 -29.141 32.693 -26.717 1.00 0.00 C ATOM 1673 CE LYS A 104 -30.124 33.851 -26.636 1.00 0.00 C ATOM 1674 NZ LYS A 104 -30.878 34.030 -27.909 1.00 0.00 N ATOM 0 H LYS A 104 -28.007 27.962 -27.460 1.00 0.00 H new ATOM 0 HA LYS A 104 -30.407 29.144 -28.432 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -28.943 29.871 -26.451 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -27.839 30.552 -27.629 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -29.832 31.857 -28.559 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -30.728 31.328 -27.149 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -28.892 32.350 -25.713 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -28.212 33.029 -27.178 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -30.825 33.675 -25.820 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -29.585 34.769 -26.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -31.327 34.968 -27.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -30.224 33.952 -28.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -31.610 33.295 -27.985 1.00 0.00 H new