USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 864 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 120 SER OG : rot 96:sc= 1.11 USER MOD Set 1.2: A 124 GLN : amide:sc= -0.148 K(o=0.96,f=-7.8!) USER MOD Set 2.1: A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 122 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 69 ASN : amide:sc= -3.03! C(o=-3.2!,f=-4!) USER MOD Set 3.2: A 77 GLN : amide:sc= -0.166 K(o=-3.2,f=-5.5) USER MOD Set 4.1: A 36 HIS : no HD1:sc= -4.63! C(o=-9.1!,f=-3.2!) USER MOD Set 4.2: A 55 GLN : amide:sc= -4.5 K(o=-9.1,f=-3.2) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 20 LYS NZ :NH3+ 174:sc= 1.11 (180deg=1.08) USER MOD Single : A 23 TYR OH : rot 180:sc= -0.805 USER MOD Single : A 24 THR OG1 : rot 104:sc= 1.3 USER MOD Single : A 28 ASN : amide:sc= -5.44! K(o=-5.4!,f=-2.3) USER MOD Single : A 29 HIS : no HD1:sc= -1.41 X(o=-1.4,f=-1.8!) USER MOD Single : A 30 TYR OH : rot 180:sc= -1.43 USER MOD Single : A 33 LYS NZ :NH3+ 146:sc= -1.47 (180deg=-3.45!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -159:sc= -0.107 (180deg=-0.523) USER MOD Single : A 44 GLN : amide:sc= -0.975! C(o=-0.98!,f=-2.1!) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.00141 USER MOD Single : A 58 GLN : amide:sc= -0.37 K(o=-0.37,f=-1.2) USER MOD Single : A 62 ASN : amide:sc= -1.23 K(o=-1.2,f=-6!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 CYS SG : rot 180:sc= -0.622 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.0069) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl -134:sc= -0.234 (180deg=-2.04!) USER MOD Single : A 81 ASN : amide:sc= -0.871 K(o=-0.87,f=-7.4!) USER MOD Single : A 85 CYS SG : rot 140:sc= -0.0601 USER MOD Single : A 87 ASN : amide:sc= 0.238 X(o=0.24,f=-0.16) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 108 ASN : amide:sc= -1.06 K(o=-1.1,f=-0.33) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 SER OG : rot -74:sc= 0.998 USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 201 N GLY A 15 2.222 16.714 -5.653 1.00 0.00 N ATOM 202 CA GLY A 15 1.817 16.946 -4.279 1.00 0.00 C ATOM 203 C GLY A 15 1.176 15.725 -3.649 1.00 0.00 C ATOM 204 O GLY A 15 0.837 14.765 -4.343 1.00 0.00 O ATOM 0 HA2 GLY A 15 2.687 17.239 -3.692 1.00 0.00 H new ATOM 0 HA3 GLY A 15 1.115 17.779 -4.246 1.00 0.00 H new ATOM 208 N LEU A 16 1.010 15.759 -2.332 1.00 0.00 N ATOM 209 CA LEU A 16 0.406 14.646 -1.608 1.00 0.00 C ATOM 210 C LEU A 16 -0.735 14.030 -2.410 1.00 0.00 C ATOM 211 O LEU A 16 -0.688 12.854 -2.770 1.00 0.00 O ATOM 212 CB LEU A 16 -0.108 15.117 -0.246 1.00 0.00 C ATOM 213 CG LEU A 16 0.917 15.803 0.658 1.00 0.00 C ATOM 214 CD1 LEU A 16 0.253 16.309 1.929 1.00 0.00 C ATOM 215 CD2 LEU A 16 2.056 14.852 0.991 1.00 0.00 C ATOM 0 H LEU A 16 1.285 16.545 -1.743 1.00 0.00 H new ATOM 0 HA LEU A 16 1.171 13.885 -1.457 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.936 15.806 -0.411 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.512 14.255 0.285 1.00 0.00 H new ATOM 0 HG LEU A 16 1.330 16.658 0.123 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.998 16.794 2.560 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.527 17.026 1.672 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.188 15.470 2.468 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.776 15.358 1.635 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.660 13.977 1.506 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.550 14.539 0.071 1.00 0.00 H new ATOM 227 N GLU A 17 -1.758 14.832 -2.688 1.00 0.00 N ATOM 228 CA GLU A 17 -2.910 14.365 -3.449 1.00 0.00 C ATOM 229 C GLU A 17 -2.470 13.695 -4.747 1.00 0.00 C ATOM 230 O GLU A 17 -3.059 12.704 -5.177 1.00 0.00 O ATOM 231 CB GLU A 17 -3.852 15.531 -3.758 1.00 0.00 C ATOM 232 CG GLU A 17 -3.144 16.752 -4.322 1.00 0.00 C ATOM 233 CD GLU A 17 -4.111 17.795 -4.849 1.00 0.00 C ATOM 234 OE1 GLU A 17 -4.913 18.318 -4.047 1.00 0.00 O ATOM 235 OE2 GLU A 17 -4.065 18.087 -6.062 1.00 0.00 O ATOM 0 H GLU A 17 -1.812 15.808 -2.397 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.439 13.630 -2.843 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.607 15.198 -4.470 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.377 15.815 -2.846 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.522 17.198 -3.546 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.477 16.441 -5.126 1.00 0.00 H new ATOM 242 N ASP A 18 -1.430 14.243 -5.365 1.00 0.00 N ATOM 243 CA ASP A 18 -0.908 13.699 -6.614 1.00 0.00 C ATOM 244 C ASP A 18 -0.210 12.364 -6.375 1.00 0.00 C ATOM 245 O ASP A 18 -0.264 11.466 -7.216 1.00 0.00 O ATOM 246 CB ASP A 18 0.062 14.688 -7.260 1.00 0.00 C ATOM 247 CG ASP A 18 -0.639 15.675 -8.173 1.00 0.00 C ATOM 248 OD1 ASP A 18 -0.889 15.324 -9.345 1.00 0.00 O ATOM 249 OD2 ASP A 18 -0.936 16.799 -7.716 1.00 0.00 O ATOM 0 H ASP A 18 -0.931 15.064 -5.022 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.748 13.534 -7.289 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.593 15.233 -6.480 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.810 14.138 -7.831 1.00 0.00 H new ATOM 254 N GLN A 19 0.445 12.242 -5.225 1.00 0.00 N ATOM 255 CA GLN A 19 1.155 11.017 -4.878 1.00 0.00 C ATOM 256 C GLN A 19 0.195 9.834 -4.798 1.00 0.00 C ATOM 257 O GLN A 19 0.494 8.744 -5.284 1.00 0.00 O ATOM 258 CB GLN A 19 1.886 11.186 -3.545 1.00 0.00 C ATOM 259 CG GLN A 19 2.813 12.391 -3.508 1.00 0.00 C ATOM 260 CD GLN A 19 3.932 12.235 -2.497 1.00 0.00 C ATOM 261 OE1 GLN A 19 3.786 11.535 -1.495 1.00 0.00 O ATOM 262 NE2 GLN A 19 5.059 12.889 -2.756 1.00 0.00 N ATOM 0 H GLN A 19 0.499 12.976 -4.519 1.00 0.00 H new ATOM 0 HA GLN A 19 1.885 10.816 -5.662 1.00 0.00 H new ATOM 0 HB2 GLN A 19 1.150 11.279 -2.746 1.00 0.00 H new ATOM 0 HB3 GLN A 19 2.466 10.286 -3.341 1.00 0.00 H new ATOM 0 HG2 GLN A 19 3.242 12.545 -4.498 1.00 0.00 H new ATOM 0 HG3 GLN A 19 2.234 13.283 -3.269 1.00 0.00 H new ATOM 0 HE21 GLN A 19 5.136 13.458 -3.599 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.847 12.822 -2.112 1.00 0.00 H new ATOM 271 N LYS A 20 -0.960 10.058 -4.180 1.00 0.00 N ATOM 272 CA LYS A 20 -1.966 9.012 -4.037 1.00 0.00 C ATOM 273 C LYS A 20 -2.149 8.250 -5.345 1.00 0.00 C ATOM 274 O LYS A 20 -2.601 7.105 -5.349 1.00 0.00 O ATOM 275 CB LYS A 20 -3.301 9.617 -3.596 1.00 0.00 C ATOM 276 CG LYS A 20 -4.489 8.696 -3.817 1.00 0.00 C ATOM 277 CD LYS A 20 -5.806 9.434 -3.644 1.00 0.00 C ATOM 278 CE LYS A 20 -6.936 8.480 -3.288 1.00 0.00 C ATOM 279 NZ LYS A 20 -8.261 9.006 -3.719 1.00 0.00 N ATOM 0 H LYS A 20 -1.223 10.954 -3.770 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.621 8.313 -3.275 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -3.242 9.873 -2.538 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.466 10.547 -4.140 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.439 8.270 -4.819 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.442 7.864 -3.114 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.703 10.186 -2.862 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.052 9.963 -4.565 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.758 7.514 -3.760 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.944 8.312 -2.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.992 8.285 -3.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.488 9.863 -3.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.230 9.238 -4.732 1.00 0.00 H new ATOM 293 N ARG A 21 -1.794 8.891 -6.453 1.00 0.00 N ATOM 294 CA ARG A 21 -1.919 8.273 -7.768 1.00 0.00 C ATOM 295 C ARG A 21 -0.680 7.446 -8.100 1.00 0.00 C ATOM 296 O ARG A 21 -0.786 6.314 -8.572 1.00 0.00 O ATOM 297 CB ARG A 21 -2.133 9.343 -8.840 1.00 0.00 C ATOM 298 CG ARG A 21 -2.664 8.792 -10.153 1.00 0.00 C ATOM 299 CD ARG A 21 -4.119 8.368 -10.031 1.00 0.00 C ATOM 300 NE ARG A 21 -4.832 8.487 -11.300 1.00 0.00 N ATOM 301 CZ ARG A 21 -5.241 9.644 -11.808 1.00 0.00 C ATOM 302 NH1 ARG A 21 -5.008 10.776 -11.158 1.00 0.00 N ATOM 303 NH2 ARG A 21 -5.884 9.671 -12.968 1.00 0.00 N ATOM 0 H ARG A 21 -1.417 9.839 -6.467 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.784 7.610 -7.749 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.830 10.091 -8.461 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.188 9.853 -9.026 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -2.568 9.549 -10.932 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -2.060 7.939 -10.462 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.168 7.336 -9.683 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.614 8.982 -9.278 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.027 7.635 -11.825 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -4.514 10.759 -10.266 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -5.323 11.663 -11.550 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -6.065 8.802 -13.471 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.197 10.560 -13.357 1.00 0.00 H new ATOM 317 N ILE A 22 0.492 8.019 -7.850 1.00 0.00 N ATOM 318 CA ILE A 22 1.750 7.335 -8.122 1.00 0.00 C ATOM 319 C ILE A 22 1.814 5.994 -7.398 1.00 0.00 C ATOM 320 O ILE A 22 2.179 4.976 -7.987 1.00 0.00 O ATOM 321 CB ILE A 22 2.959 8.191 -7.700 1.00 0.00 C ATOM 322 CG1 ILE A 22 2.945 9.531 -8.438 1.00 0.00 C ATOM 323 CG2 ILE A 22 4.257 7.444 -7.972 1.00 0.00 C ATOM 324 CD1 ILE A 22 3.788 10.596 -7.773 1.00 0.00 C ATOM 0 H ILE A 22 0.597 8.955 -7.459 1.00 0.00 H new ATOM 0 HA ILE A 22 1.792 7.167 -9.198 1.00 0.00 H new ATOM 0 HB ILE A 22 2.892 8.386 -6.630 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.303 9.379 -9.456 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.917 9.886 -8.511 1.00 0.00 H new ATOM 0 HG21 ILE A 22 5.103 8.061 -7.669 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.266 6.513 -7.406 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.333 7.222 -9.037 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.731 11.519 -8.351 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.417 10.776 -6.764 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.824 10.262 -7.724 1.00 0.00 H new ATOM 336 N TYR A 23 1.455 6.001 -6.119 1.00 0.00 N ATOM 337 CA TYR A 23 1.471 4.785 -5.315 1.00 0.00 C ATOM 338 C TYR A 23 0.441 3.781 -5.823 1.00 0.00 C ATOM 339 O TYR A 23 0.636 2.569 -5.725 1.00 0.00 O ATOM 340 CB TYR A 23 1.197 5.116 -3.847 1.00 0.00 C ATOM 341 CG TYR A 23 2.318 5.879 -3.178 1.00 0.00 C ATOM 342 CD1 TYR A 23 3.637 5.458 -3.294 1.00 0.00 C ATOM 343 CD2 TYR A 23 2.058 7.021 -2.431 1.00 0.00 C ATOM 344 CE1 TYR A 23 4.664 6.151 -2.684 1.00 0.00 C ATOM 345 CE2 TYR A 23 3.080 7.722 -1.819 1.00 0.00 C ATOM 346 CZ TYR A 23 4.381 7.283 -1.948 1.00 0.00 C ATOM 347 OH TYR A 23 5.401 7.978 -1.339 1.00 0.00 O ATOM 0 H TYR A 23 1.150 6.835 -5.617 1.00 0.00 H new ATOM 0 HA TYR A 23 2.461 4.336 -5.401 1.00 0.00 H new ATOM 0 HB2 TYR A 23 0.280 5.702 -3.781 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.023 4.189 -3.301 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.863 4.574 -3.871 1.00 0.00 H new ATOM 0 HD2 TYR A 23 1.040 7.367 -2.327 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.684 5.809 -2.783 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.861 8.609 -1.243 1.00 0.00 H new ATOM 0 HH TYR A 23 5.031 8.750 -0.861 1.00 0.00 H new ATOM 357 N THR A 24 -0.658 4.295 -6.366 1.00 0.00 N ATOM 358 CA THR A 24 -1.721 3.446 -6.890 1.00 0.00 C ATOM 359 C THR A 24 -1.221 2.592 -8.049 1.00 0.00 C ATOM 360 O THR A 24 -1.462 1.385 -8.093 1.00 0.00 O ATOM 361 CB THR A 24 -2.925 4.281 -7.364 1.00 0.00 C ATOM 362 OG1 THR A 24 -3.532 4.943 -6.248 1.00 0.00 O ATOM 363 CG2 THR A 24 -3.954 3.402 -8.058 1.00 0.00 C ATOM 0 H THR A 24 -0.835 5.296 -6.454 1.00 0.00 H new ATOM 0 HA THR A 24 -2.038 2.797 -6.074 1.00 0.00 H new ATOM 0 HB THR A 24 -2.565 5.024 -8.076 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.283 5.891 -6.255 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.795 4.014 -8.384 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.498 2.922 -8.924 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.308 2.639 -7.365 1.00 0.00 H new ATOM 371 N ASP A 25 -0.524 3.225 -8.986 1.00 0.00 N ATOM 372 CA ASP A 25 0.011 2.522 -10.146 1.00 0.00 C ATOM 373 C ASP A 25 1.069 1.506 -9.726 1.00 0.00 C ATOM 374 O ASP A 25 1.168 0.424 -10.304 1.00 0.00 O ATOM 375 CB ASP A 25 0.610 3.517 -11.141 1.00 0.00 C ATOM 376 CG ASP A 25 1.004 2.862 -12.450 1.00 0.00 C ATOM 377 OD1 ASP A 25 0.432 1.802 -12.778 1.00 0.00 O ATOM 378 OD2 ASP A 25 1.886 3.409 -13.146 1.00 0.00 O ATOM 0 H ASP A 25 -0.316 4.223 -8.965 1.00 0.00 H new ATOM 0 HA ASP A 25 -0.809 1.989 -10.626 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.113 4.309 -11.338 1.00 0.00 H new ATOM 0 HB3 ASP A 25 1.486 3.988 -10.696 1.00 0.00 H new ATOM 383 N TRP A 26 1.855 1.862 -8.717 1.00 0.00 N ATOM 384 CA TRP A 26 2.906 0.981 -8.220 1.00 0.00 C ATOM 385 C TRP A 26 2.333 -0.368 -7.802 1.00 0.00 C ATOM 386 O TRP A 26 2.726 -1.410 -8.326 1.00 0.00 O ATOM 387 CB TRP A 26 3.628 1.631 -7.038 1.00 0.00 C ATOM 388 CG TRP A 26 4.722 0.779 -6.469 1.00 0.00 C ATOM 389 CD1 TRP A 26 5.946 0.537 -7.026 1.00 0.00 C ATOM 390 CD2 TRP A 26 4.691 0.055 -5.234 1.00 0.00 C ATOM 391 NE1 TRP A 26 6.677 -0.293 -6.211 1.00 0.00 N ATOM 392 CE2 TRP A 26 5.930 -0.602 -5.105 1.00 0.00 C ATOM 393 CE3 TRP A 26 3.738 -0.100 -4.224 1.00 0.00 C ATOM 394 CZ2 TRP A 26 6.237 -1.402 -4.008 1.00 0.00 C ATOM 395 CZ3 TRP A 26 4.044 -0.894 -3.136 1.00 0.00 C ATOM 396 CH2 TRP A 26 5.285 -1.536 -3.034 1.00 0.00 C ATOM 0 H TRP A 26 1.785 2.754 -8.227 1.00 0.00 H new ATOM 0 HA TRP A 26 3.620 0.817 -9.027 1.00 0.00 H new ATOM 0 HB2 TRP A 26 4.049 2.584 -7.358 1.00 0.00 H new ATOM 0 HB3 TRP A 26 2.903 1.850 -6.254 1.00 0.00 H new ATOM 0 HD1 TRP A 26 6.288 0.939 -7.968 1.00 0.00 H new ATOM 0 HE1 TRP A 26 7.623 -0.625 -6.399 1.00 0.00 H new ATOM 0 HE3 TRP A 26 2.779 0.392 -4.293 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 7.192 -1.899 -3.928 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 3.314 -1.022 -2.350 1.00 0.00 H new ATOM 0 HH2 TRP A 26 5.495 -2.149 -2.170 1.00 0.00 H new ATOM 407 N ALA A 27 1.401 -0.343 -6.854 1.00 0.00 N ATOM 408 CA ALA A 27 0.773 -1.564 -6.368 1.00 0.00 C ATOM 409 C ALA A 27 0.032 -2.285 -7.489 1.00 0.00 C ATOM 410 O ALA A 27 0.180 -3.493 -7.667 1.00 0.00 O ATOM 411 CB ALA A 27 -0.178 -1.249 -5.223 1.00 0.00 C ATOM 0 H ALA A 27 1.065 0.510 -6.408 1.00 0.00 H new ATOM 0 HA ALA A 27 1.558 -2.226 -6.003 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.640 -2.171 -4.870 1.00 0.00 H new ATOM 0 HB2 ALA A 27 0.376 -0.785 -4.407 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.952 -0.565 -5.571 1.00 0.00 H new ATOM 417 N ASN A 28 -0.765 -1.535 -8.243 1.00 0.00 N ATOM 418 CA ASN A 28 -1.530 -2.104 -9.347 1.00 0.00 C ATOM 419 C ASN A 28 -0.718 -3.167 -10.081 1.00 0.00 C ATOM 420 O ASN A 28 -1.262 -4.170 -10.543 1.00 0.00 O ATOM 421 CB ASN A 28 -1.951 -1.003 -10.323 1.00 0.00 C ATOM 422 CG ASN A 28 -3.123 -0.191 -9.808 1.00 0.00 C ATOM 423 OD1 ASN A 28 -3.850 0.430 -10.584 1.00 0.00 O ATOM 424 ND2 ASN A 28 -3.312 -0.193 -8.494 1.00 0.00 N ATOM 0 H ASN A 28 -0.898 -0.532 -8.110 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.422 -2.575 -8.934 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.105 -0.340 -10.505 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -2.216 -1.452 -11.280 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -4.085 0.335 -8.089 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.684 -0.722 -7.889 1.00 0.00 H new ATOM 431 N HIS A 29 0.588 -2.940 -10.183 1.00 0.00 N ATOM 432 CA HIS A 29 1.476 -3.879 -10.860 1.00 0.00 C ATOM 433 C HIS A 29 1.483 -5.228 -10.149 1.00 0.00 C ATOM 434 O HIS A 29 1.179 -6.259 -10.750 1.00 0.00 O ATOM 435 CB HIS A 29 2.896 -3.315 -10.922 1.00 0.00 C ATOM 436 CG HIS A 29 3.950 -4.365 -11.096 1.00 0.00 C ATOM 437 ND1 HIS A 29 3.776 -5.484 -11.882 1.00 0.00 N ATOM 438 CD2 HIS A 29 5.198 -4.460 -10.580 1.00 0.00 C ATOM 439 CE1 HIS A 29 4.870 -6.223 -11.841 1.00 0.00 C ATOM 440 NE2 HIS A 29 5.749 -5.624 -11.059 1.00 0.00 N ATOM 0 H HIS A 29 1.054 -2.115 -9.806 1.00 0.00 H new ATOM 0 HA HIS A 29 1.106 -4.025 -11.875 1.00 0.00 H new ATOM 0 HB2 HIS A 29 2.961 -2.606 -11.748 1.00 0.00 H new ATOM 0 HB3 HIS A 29 3.097 -2.758 -10.007 1.00 0.00 H new ATOM 0 HD2 HIS A 29 5.672 -3.753 -9.916 1.00 0.00 H new ATOM 0 HE1 HIS A 29 5.020 -7.159 -12.359 1.00 0.00 H new ATOM 0 HE2 HIS A 29 6.685 -5.969 -10.845 1.00 0.00 H new ATOM 449 N TYR A 30 1.833 -5.215 -8.867 1.00 0.00 N ATOM 450 CA TYR A 30 1.883 -6.438 -8.076 1.00 0.00 C ATOM 451 C TYR A 30 0.555 -7.187 -8.145 1.00 0.00 C ATOM 452 O TYR A 30 0.519 -8.417 -8.104 1.00 0.00 O ATOM 453 CB TYR A 30 2.223 -6.115 -6.620 1.00 0.00 C ATOM 454 CG TYR A 30 3.639 -5.625 -6.423 1.00 0.00 C ATOM 455 CD1 TYR A 30 4.702 -6.518 -6.359 1.00 0.00 C ATOM 456 CD2 TYR A 30 3.916 -4.269 -6.301 1.00 0.00 C ATOM 457 CE1 TYR A 30 5.998 -6.075 -6.179 1.00 0.00 C ATOM 458 CE2 TYR A 30 5.209 -3.816 -6.123 1.00 0.00 C ATOM 459 CZ TYR A 30 6.246 -4.723 -6.062 1.00 0.00 C ATOM 460 OH TYR A 30 7.535 -4.277 -5.882 1.00 0.00 O ATOM 0 H TYR A 30 2.086 -4.370 -8.354 1.00 0.00 H new ATOM 0 HA TYR A 30 2.662 -7.077 -8.492 1.00 0.00 H new ATOM 0 HB2 TYR A 30 1.531 -5.357 -6.254 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.069 -7.007 -6.013 1.00 0.00 H new ATOM 0 HD1 TYR A 30 4.511 -7.577 -6.452 1.00 0.00 H new ATOM 0 HD2 TYR A 30 3.106 -3.556 -6.346 1.00 0.00 H new ATOM 0 HE1 TYR A 30 6.812 -6.783 -6.130 1.00 0.00 H new ATOM 0 HE2 TYR A 30 5.406 -2.758 -6.032 1.00 0.00 H new ATOM 0 HH TYR A 30 7.537 -3.299 -5.819 1.00 0.00 H new ATOM 470 N LEU A 31 -0.535 -6.435 -8.252 1.00 0.00 N ATOM 471 CA LEU A 31 -1.867 -7.025 -8.329 1.00 0.00 C ATOM 472 C LEU A 31 -2.086 -7.703 -9.678 1.00 0.00 C ATOM 473 O LEU A 31 -2.442 -8.879 -9.742 1.00 0.00 O ATOM 474 CB LEU A 31 -2.935 -5.954 -8.104 1.00 0.00 C ATOM 475 CG LEU A 31 -3.328 -5.692 -6.650 1.00 0.00 C ATOM 476 CD1 LEU A 31 -4.427 -4.644 -6.574 1.00 0.00 C ATOM 477 CD2 LEU A 31 -3.771 -6.982 -5.976 1.00 0.00 C ATOM 0 H LEU A 31 -0.523 -5.416 -8.287 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.948 -7.780 -7.547 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.580 -5.019 -8.537 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.830 -6.241 -8.655 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.454 -5.311 -6.121 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.693 -4.471 -5.531 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.073 -3.713 -7.017 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.303 -4.996 -7.119 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.047 -6.776 -4.942 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.630 -7.393 -6.506 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.954 -7.703 -5.997 1.00 0.00 H new ATOM 489 N ALA A 32 -1.868 -6.952 -10.753 1.00 0.00 N ATOM 490 CA ALA A 32 -2.037 -7.481 -12.100 1.00 0.00 C ATOM 491 C ALA A 32 -1.158 -8.707 -12.323 1.00 0.00 C ATOM 492 O ALA A 32 -1.644 -9.771 -12.709 1.00 0.00 O ATOM 493 CB ALA A 32 -1.721 -6.408 -13.132 1.00 0.00 C ATOM 0 H ALA A 32 -1.574 -5.976 -10.717 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.077 -7.786 -12.216 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.851 -6.817 -14.134 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.394 -5.562 -12.995 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -0.691 -6.075 -13.007 1.00 0.00 H new ATOM 499 N LYS A 33 0.139 -8.552 -12.079 1.00 0.00 N ATOM 500 CA LYS A 33 1.087 -9.646 -12.252 1.00 0.00 C ATOM 501 C LYS A 33 0.615 -10.897 -11.517 1.00 0.00 C ATOM 502 O LYS A 33 0.828 -12.017 -11.979 1.00 0.00 O ATOM 503 CB LYS A 33 2.471 -9.235 -11.744 1.00 0.00 C ATOM 504 CG LYS A 33 2.673 -9.484 -10.260 1.00 0.00 C ATOM 505 CD LYS A 33 4.103 -9.196 -9.835 1.00 0.00 C ATOM 506 CE LYS A 33 5.018 -10.376 -10.123 1.00 0.00 C ATOM 507 NZ LYS A 33 5.312 -10.508 -11.577 1.00 0.00 N ATOM 0 H LYS A 33 0.558 -7.678 -11.760 1.00 0.00 H new ATOM 0 HA LYS A 33 1.150 -9.873 -13.316 1.00 0.00 H new ATOM 0 HB2 LYS A 33 3.231 -9.782 -12.302 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.625 -8.176 -11.950 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.989 -8.856 -9.689 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.425 -10.519 -10.027 1.00 0.00 H new ATOM 0 HD2 LYS A 33 4.469 -8.314 -10.360 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.128 -8.966 -8.770 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.951 -10.254 -9.573 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.553 -11.293 -9.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.281 -10.864 -11.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.639 -11.173 -12.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.222 -9.579 -12.035 1.00 0.00 H new ATOM 521 N SER A 34 -0.028 -10.696 -10.371 1.00 0.00 N ATOM 522 CA SER A 34 -0.528 -11.808 -9.571 1.00 0.00 C ATOM 523 C SER A 34 -1.784 -12.406 -10.197 1.00 0.00 C ATOM 524 O SER A 34 -2.135 -13.556 -9.934 1.00 0.00 O ATOM 525 CB SER A 34 -0.827 -11.343 -8.144 1.00 0.00 C ATOM 526 OG SER A 34 -0.765 -12.426 -7.231 1.00 0.00 O ATOM 0 H SER A 34 -0.215 -9.774 -9.976 1.00 0.00 H new ATOM 0 HA SER A 34 0.243 -12.578 -9.541 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.111 -10.575 -7.851 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.817 -10.888 -8.106 1.00 0.00 H new ATOM 0 HG SER A 34 -0.958 -12.103 -6.326 1.00 0.00 H new ATOM 532 N GLY A 35 -2.457 -11.616 -11.027 1.00 0.00 N ATOM 533 CA GLY A 35 -3.667 -12.084 -11.679 1.00 0.00 C ATOM 534 C GLY A 35 -4.882 -11.256 -11.308 1.00 0.00 C ATOM 535 O GLY A 35 -5.813 -11.116 -12.102 1.00 0.00 O ATOM 0 H GLY A 35 -2.187 -10.660 -11.260 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.528 -12.056 -12.760 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.843 -13.125 -11.407 1.00 0.00 H new ATOM 539 N HIS A 36 -4.875 -10.705 -10.098 1.00 0.00 N ATOM 540 CA HIS A 36 -5.985 -9.888 -9.624 1.00 0.00 C ATOM 541 C HIS A 36 -6.590 -9.077 -10.766 1.00 0.00 C ATOM 542 O HIS A 36 -5.877 -8.390 -11.499 1.00 0.00 O ATOM 543 CB HIS A 36 -5.517 -8.951 -8.510 1.00 0.00 C ATOM 544 CG HIS A 36 -5.643 -9.540 -7.139 1.00 0.00 C ATOM 545 ND1 HIS A 36 -6.656 -9.204 -6.265 1.00 0.00 N ATOM 546 CD2 HIS A 36 -4.878 -10.451 -6.493 1.00 0.00 C ATOM 547 CE1 HIS A 36 -6.507 -9.880 -5.141 1.00 0.00 C ATOM 548 NE2 HIS A 36 -5.435 -10.645 -5.253 1.00 0.00 N ATOM 0 H HIS A 36 -4.113 -10.810 -9.429 1.00 0.00 H new ATOM 0 HA HIS A 36 -6.752 -10.555 -9.230 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -4.476 -8.682 -8.686 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -6.096 -8.029 -8.555 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -3.994 -10.935 -6.881 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -7.152 -9.818 -4.277 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -5.079 -11.277 -4.535 1.00 0.00 H new ATOM 557 N LYS A 37 -7.908 -9.161 -10.912 1.00 0.00 N ATOM 558 CA LYS A 37 -8.609 -8.435 -11.965 1.00 0.00 C ATOM 559 C LYS A 37 -8.968 -7.025 -11.507 1.00 0.00 C ATOM 560 O LYS A 37 -9.063 -6.104 -12.319 1.00 0.00 O ATOM 561 CB LYS A 37 -9.877 -9.188 -12.374 1.00 0.00 C ATOM 562 CG LYS A 37 -9.639 -10.245 -13.439 1.00 0.00 C ATOM 563 CD LYS A 37 -9.384 -9.618 -14.799 1.00 0.00 C ATOM 564 CE LYS A 37 -10.673 -9.115 -15.432 1.00 0.00 C ATOM 565 NZ LYS A 37 -11.638 -10.221 -15.680 1.00 0.00 N ATOM 0 H LYS A 37 -8.513 -9.725 -10.314 1.00 0.00 H new ATOM 0 HA LYS A 37 -7.944 -8.360 -12.826 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.308 -9.663 -11.493 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.612 -8.472 -12.742 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.786 -10.862 -13.156 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.505 -10.905 -13.498 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.682 -8.791 -14.693 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.916 -10.351 -15.457 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.132 -8.372 -14.780 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.444 -8.615 -16.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -12.322 -9.928 -16.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.124 -11.063 -16.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.143 -10.445 -14.799 1.00 0.00 H new ATOM 579 N ARG A 38 -9.164 -6.863 -10.202 1.00 0.00 N ATOM 580 CA ARG A 38 -9.512 -5.565 -9.637 1.00 0.00 C ATOM 581 C ARG A 38 -8.259 -4.741 -9.356 1.00 0.00 C ATOM 582 O ARG A 38 -7.172 -5.289 -9.170 1.00 0.00 O ATOM 583 CB ARG A 38 -10.317 -5.745 -8.349 1.00 0.00 C ATOM 584 CG ARG A 38 -10.450 -4.471 -7.531 1.00 0.00 C ATOM 585 CD ARG A 38 -11.068 -4.746 -6.169 1.00 0.00 C ATOM 586 NE ARG A 38 -12.492 -5.055 -6.266 1.00 0.00 N ATOM 587 CZ ARG A 38 -13.304 -5.119 -5.216 1.00 0.00 C ATOM 588 NH1 ARG A 38 -12.834 -4.896 -3.997 1.00 0.00 N ATOM 589 NH2 ARG A 38 -14.588 -5.405 -5.386 1.00 0.00 N ATOM 0 H ARG A 38 -9.088 -7.615 -9.517 1.00 0.00 H new ATOM 0 HA ARG A 38 -10.121 -5.031 -10.366 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -11.312 -6.111 -8.601 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.841 -6.512 -7.737 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.468 -4.016 -7.401 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.065 -3.752 -8.072 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.548 -5.579 -5.697 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.929 -3.877 -5.526 1.00 0.00 H new ATOM 0 HE ARG A 38 -12.885 -5.231 -7.191 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.847 -4.675 -3.863 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -13.459 -4.946 -3.192 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -14.953 -5.576 -6.323 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -15.211 -5.454 -4.580 1.00 0.00 H new ATOM 603 N LEU A 39 -8.419 -3.423 -9.327 1.00 0.00 N ATOM 604 CA LEU A 39 -7.301 -2.522 -9.069 1.00 0.00 C ATOM 605 C LEU A 39 -7.612 -1.587 -7.905 1.00 0.00 C ATOM 606 O LEU A 39 -8.657 -1.705 -7.263 1.00 0.00 O ATOM 607 CB LEU A 39 -6.977 -1.706 -10.321 1.00 0.00 C ATOM 608 CG LEU A 39 -6.336 -2.476 -11.476 1.00 0.00 C ATOM 609 CD1 LEU A 39 -5.937 -1.526 -12.595 1.00 0.00 C ATOM 610 CD2 LEU A 39 -5.128 -3.263 -10.987 1.00 0.00 C ATOM 0 H LEU A 39 -9.312 -2.954 -9.479 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.434 -3.127 -8.803 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.899 -1.250 -10.682 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.309 -0.893 -10.038 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.069 -3.180 -11.869 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.483 -2.092 -13.408 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.821 -1.007 -12.964 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.221 -0.797 -12.216 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.684 -3.805 -11.822 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.392 -2.577 -10.568 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.441 -3.972 -10.220 1.00 0.00 H new ATOM 622 N ILE A 40 -6.701 -0.656 -7.640 1.00 0.00 N ATOM 623 CA ILE A 40 -6.881 0.301 -6.556 1.00 0.00 C ATOM 624 C ILE A 40 -7.440 1.622 -7.076 1.00 0.00 C ATOM 625 O ILE A 40 -6.770 2.343 -7.815 1.00 0.00 O ATOM 626 CB ILE A 40 -5.557 0.573 -5.819 1.00 0.00 C ATOM 627 CG1 ILE A 40 -4.998 -0.726 -5.234 1.00 0.00 C ATOM 628 CG2 ILE A 40 -5.762 1.608 -4.724 1.00 0.00 C ATOM 629 CD1 ILE A 40 -3.654 -0.557 -4.562 1.00 0.00 C ATOM 0 H ILE A 40 -5.831 -0.545 -8.161 1.00 0.00 H new ATOM 0 HA ILE A 40 -7.591 -0.143 -5.859 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.835 0.968 -6.534 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.709 -1.125 -4.511 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.906 -1.464 -6.031 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.817 1.789 -4.213 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.120 2.538 -5.165 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -6.497 1.240 -4.008 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.319 -1.518 -4.171 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.929 -0.188 -5.287 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.744 0.157 -3.743 1.00 0.00 H new ATOM 641 N ARG A 41 -8.671 1.932 -6.684 1.00 0.00 N ATOM 642 CA ARG A 41 -9.320 3.166 -7.109 1.00 0.00 C ATOM 643 C ARG A 41 -9.000 4.308 -6.149 1.00 0.00 C ATOM 644 O ARG A 41 -8.409 5.315 -6.541 1.00 0.00 O ATOM 645 CB ARG A 41 -10.835 2.968 -7.196 1.00 0.00 C ATOM 646 CG ARG A 41 -11.307 2.462 -8.549 1.00 0.00 C ATOM 647 CD ARG A 41 -11.461 3.601 -9.546 1.00 0.00 C ATOM 648 NE ARG A 41 -12.776 4.231 -9.458 1.00 0.00 N ATOM 649 CZ ARG A 41 -13.890 3.672 -9.917 1.00 0.00 C ATOM 650 NH1 ARG A 41 -13.849 2.479 -10.492 1.00 0.00 N ATOM 651 NH2 ARG A 41 -15.049 4.308 -9.800 1.00 0.00 N ATOM 0 H ARG A 41 -9.239 1.346 -6.073 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.937 3.426 -8.096 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.145 2.262 -6.425 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.330 3.915 -6.979 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.595 1.733 -8.935 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -12.260 1.946 -8.434 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -10.688 4.348 -9.365 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -11.308 3.222 -10.556 1.00 0.00 H new ATOM 0 HE ARG A 41 -12.842 5.150 -9.020 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -12.960 1.987 -10.583 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -14.706 2.052 -10.843 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -15.084 5.226 -9.358 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -15.904 3.878 -10.153 1.00 0.00 H new ATOM 665 N ASP A 42 -9.395 4.145 -4.892 1.00 0.00 N ATOM 666 CA ASP A 42 -9.150 5.162 -3.875 1.00 0.00 C ATOM 667 C ASP A 42 -8.177 4.650 -2.818 1.00 0.00 C ATOM 668 O ASP A 42 -8.560 3.909 -1.912 1.00 0.00 O ATOM 669 CB ASP A 42 -10.465 5.581 -3.215 1.00 0.00 C ATOM 670 CG ASP A 42 -11.147 6.716 -3.953 1.00 0.00 C ATOM 671 OD1 ASP A 42 -10.750 7.881 -3.746 1.00 0.00 O ATOM 672 OD2 ASP A 42 -12.080 6.439 -4.737 1.00 0.00 O ATOM 0 H ASP A 42 -9.886 3.318 -4.552 1.00 0.00 H new ATOM 0 HA ASP A 42 -8.705 6.029 -4.363 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -11.136 4.723 -3.173 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -10.271 5.885 -2.186 1.00 0.00 H new ATOM 677 N LEU A 43 -6.915 5.048 -2.941 1.00 0.00 N ATOM 678 CA LEU A 43 -5.885 4.629 -1.997 1.00 0.00 C ATOM 679 C LEU A 43 -6.339 4.858 -0.559 1.00 0.00 C ATOM 680 O LEU A 43 -6.064 4.047 0.325 1.00 0.00 O ATOM 681 CB LEU A 43 -4.584 5.389 -2.260 1.00 0.00 C ATOM 682 CG LEU A 43 -3.299 4.701 -1.799 1.00 0.00 C ATOM 683 CD1 LEU A 43 -3.043 3.445 -2.617 1.00 0.00 C ATOM 684 CD2 LEU A 43 -2.118 5.655 -1.898 1.00 0.00 C ATOM 0 H LEU A 43 -6.581 5.660 -3.685 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.710 3.562 -2.138 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.507 5.578 -3.331 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.649 6.360 -1.769 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.419 4.411 -0.755 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.124 2.969 -2.275 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.877 2.754 -2.494 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.944 3.710 -3.670 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.212 5.148 -1.566 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.996 5.976 -2.932 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.299 6.525 -1.267 1.00 0.00 H new ATOM 696 N GLN A 44 -7.037 5.966 -0.333 1.00 0.00 N ATOM 697 CA GLN A 44 -7.530 6.300 0.997 1.00 0.00 C ATOM 698 C GLN A 44 -8.696 5.398 1.388 1.00 0.00 C ATOM 699 O GLN A 44 -8.988 5.223 2.571 1.00 0.00 O ATOM 700 CB GLN A 44 -7.964 7.766 1.050 1.00 0.00 C ATOM 701 CG GLN A 44 -6.801 8.744 1.090 1.00 0.00 C ATOM 702 CD GLN A 44 -7.234 10.176 0.841 1.00 0.00 C ATOM 703 OE1 GLN A 44 -7.464 10.577 -0.300 1.00 0.00 O ATOM 704 NE2 GLN A 44 -7.347 10.955 1.911 1.00 0.00 N ATOM 0 H GLN A 44 -7.274 6.647 -1.054 1.00 0.00 H new ATOM 0 HA GLN A 44 -6.719 6.143 1.708 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -8.582 7.985 0.179 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -8.588 7.920 1.931 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.311 8.680 2.062 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.063 8.456 0.341 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.146 10.580 2.838 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.635 11.928 1.805 1.00 0.00 H new ATOM 713 N GLN A 45 -9.359 4.829 0.387 1.00 0.00 N ATOM 714 CA GLN A 45 -10.494 3.945 0.627 1.00 0.00 C ATOM 715 C GLN A 45 -10.170 2.516 0.204 1.00 0.00 C ATOM 716 O GLN A 45 -11.050 1.656 0.163 1.00 0.00 O ATOM 717 CB GLN A 45 -11.726 4.447 -0.128 1.00 0.00 C ATOM 718 CG GLN A 45 -12.247 5.782 0.377 1.00 0.00 C ATOM 719 CD GLN A 45 -13.599 6.140 -0.207 1.00 0.00 C ATOM 720 OE1 GLN A 45 -14.070 5.501 -1.148 1.00 0.00 O ATOM 721 NE2 GLN A 45 -14.233 7.166 0.350 1.00 0.00 N ATOM 0 H GLN A 45 -9.130 4.964 -0.598 1.00 0.00 H new ATOM 0 HA GLN A 45 -10.706 3.948 1.696 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -11.481 4.539 -1.186 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -12.519 3.703 -0.048 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -12.322 5.751 1.464 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -11.530 6.565 0.129 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -13.806 7.668 1.128 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -15.147 7.452 -0.001 1.00 0.00 H new ATOM 730 N ASP A 46 -8.903 2.270 -0.110 1.00 0.00 N ATOM 731 CA ASP A 46 -8.463 0.944 -0.530 1.00 0.00 C ATOM 732 C ASP A 46 -7.747 0.224 0.608 1.00 0.00 C ATOM 733 O ASP A 46 -7.835 -0.997 0.737 1.00 0.00 O ATOM 734 CB ASP A 46 -7.539 1.051 -1.744 1.00 0.00 C ATOM 735 CG ASP A 46 -8.302 1.039 -3.054 1.00 0.00 C ATOM 736 OD1 ASP A 46 -8.580 -0.065 -3.568 1.00 0.00 O ATOM 737 OD2 ASP A 46 -8.619 2.133 -3.567 1.00 0.00 O ATOM 0 H ASP A 46 -8.162 2.971 -0.082 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.345 0.365 -0.804 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -6.957 1.970 -1.674 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.830 0.223 -1.732 1.00 0.00 H new ATOM 742 N VAL A 47 -7.037 0.989 1.432 1.00 0.00 N ATOM 743 CA VAL A 47 -6.305 0.424 2.559 1.00 0.00 C ATOM 744 C VAL A 47 -7.064 0.629 3.865 1.00 0.00 C ATOM 745 O VAL A 47 -6.465 0.730 4.936 1.00 0.00 O ATOM 746 CB VAL A 47 -4.904 1.050 2.689 1.00 0.00 C ATOM 747 CG1 VAL A 47 -4.060 0.729 1.465 1.00 0.00 C ATOM 748 CG2 VAL A 47 -5.009 2.553 2.895 1.00 0.00 C ATOM 0 H VAL A 47 -6.954 2.001 1.340 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.201 -0.644 2.366 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.413 0.620 3.562 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.074 1.180 1.575 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.956 -0.352 1.368 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.544 1.129 0.574 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.010 2.979 2.985 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.519 3.002 2.043 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -5.573 2.757 3.805 1.00 0.00 H new ATOM 758 N THR A 48 -8.389 0.689 3.770 1.00 0.00 N ATOM 759 CA THR A 48 -9.231 0.882 4.944 1.00 0.00 C ATOM 760 C THR A 48 -9.572 -0.450 5.602 1.00 0.00 C ATOM 761 O THR A 48 -9.668 -0.542 6.826 1.00 0.00 O ATOM 762 CB THR A 48 -10.538 1.613 4.583 1.00 0.00 C ATOM 763 OG1 THR A 48 -11.186 0.948 3.492 1.00 0.00 O ATOM 764 CG2 THR A 48 -10.263 3.062 4.209 1.00 0.00 C ATOM 0 H THR A 48 -8.902 0.607 2.892 1.00 0.00 H new ATOM 0 HA THR A 48 -8.662 1.494 5.644 1.00 0.00 H new ATOM 0 HB THR A 48 -11.190 1.598 5.456 1.00 0.00 H new ATOM 0 HG1 THR A 48 -12.017 1.418 3.270 1.00 0.00 H new ATOM 0 HG21 THR A 48 -11.201 3.557 3.958 1.00 0.00 H new ATOM 0 HG22 THR A 48 -9.797 3.573 5.051 1.00 0.00 H new ATOM 0 HG23 THR A 48 -9.594 3.095 3.349 1.00 0.00 H new ATOM 772 N ASP A 49 -9.753 -1.480 4.782 1.00 0.00 N ATOM 773 CA ASP A 49 -10.082 -2.808 5.285 1.00 0.00 C ATOM 774 C ASP A 49 -8.816 -3.616 5.554 1.00 0.00 C ATOM 775 O ASP A 49 -8.844 -4.611 6.277 1.00 0.00 O ATOM 776 CB ASP A 49 -10.972 -3.549 4.286 1.00 0.00 C ATOM 777 CG ASP A 49 -10.481 -3.410 2.859 1.00 0.00 C ATOM 778 OD1 ASP A 49 -9.264 -3.570 2.632 1.00 0.00 O ATOM 779 OD2 ASP A 49 -11.314 -3.140 1.968 1.00 0.00 O ATOM 0 H ASP A 49 -9.677 -1.420 3.767 1.00 0.00 H new ATOM 0 HA ASP A 49 -10.623 -2.690 6.224 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -11.011 -4.605 4.552 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.990 -3.165 4.356 1.00 0.00 H new ATOM 784 N GLY A 50 -7.706 -3.181 4.964 1.00 0.00 N ATOM 785 CA GLY A 50 -6.446 -3.876 5.151 1.00 0.00 C ATOM 786 C GLY A 50 -6.333 -5.115 4.285 1.00 0.00 C ATOM 787 O GLY A 50 -5.246 -5.670 4.121 1.00 0.00 O ATOM 0 H GLY A 50 -7.657 -2.360 4.360 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.623 -3.199 4.920 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.342 -4.158 6.199 1.00 0.00 H new ATOM 791 N VAL A 51 -7.459 -5.552 3.730 1.00 0.00 N ATOM 792 CA VAL A 51 -7.482 -6.733 2.876 1.00 0.00 C ATOM 793 C VAL A 51 -6.743 -6.480 1.567 1.00 0.00 C ATOM 794 O VAL A 51 -5.664 -7.028 1.335 1.00 0.00 O ATOM 795 CB VAL A 51 -8.925 -7.171 2.562 1.00 0.00 C ATOM 796 CG1 VAL A 51 -8.933 -8.264 1.505 1.00 0.00 C ATOM 797 CG2 VAL A 51 -9.628 -7.636 3.828 1.00 0.00 C ATOM 0 H VAL A 51 -8.367 -5.106 3.857 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.980 -7.530 3.425 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.469 -6.313 2.167 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.961 -8.561 1.296 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.471 -7.890 0.592 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.373 -9.126 1.869 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -10.646 -7.942 3.587 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.087 -8.480 4.255 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -9.655 -6.820 4.550 1.00 0.00 H new ATOM 807 N LEU A 52 -7.329 -5.647 0.715 1.00 0.00 N ATOM 808 CA LEU A 52 -6.725 -5.320 -0.572 1.00 0.00 C ATOM 809 C LEU A 52 -5.274 -4.882 -0.398 1.00 0.00 C ATOM 810 O LEU A 52 -4.440 -5.096 -1.279 1.00 0.00 O ATOM 811 CB LEU A 52 -7.524 -4.214 -1.266 1.00 0.00 C ATOM 812 CG LEU A 52 -7.513 -4.237 -2.795 1.00 0.00 C ATOM 813 CD1 LEU A 52 -8.350 -3.096 -3.351 1.00 0.00 C ATOM 814 CD2 LEU A 52 -6.086 -4.159 -3.319 1.00 0.00 C ATOM 0 H LEU A 52 -8.221 -5.186 0.892 1.00 0.00 H new ATOM 0 HA LEU A 52 -6.742 -6.217 -1.192 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.559 -4.275 -0.929 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -7.137 -3.251 -0.934 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.950 -5.178 -3.129 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.331 -3.128 -4.440 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.378 -3.196 -3.003 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.942 -2.145 -3.009 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.097 -4.177 -4.409 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.622 -3.234 -2.976 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.515 -5.010 -2.948 1.00 0.00 H new ATOM 826 N LEU A 53 -4.980 -4.270 0.743 1.00 0.00 N ATOM 827 CA LEU A 53 -3.629 -3.803 1.035 1.00 0.00 C ATOM 828 C LEU A 53 -2.644 -4.968 1.059 1.00 0.00 C ATOM 829 O LEU A 53 -1.598 -4.924 0.411 1.00 0.00 O ATOM 830 CB LEU A 53 -3.600 -3.069 2.376 1.00 0.00 C ATOM 831 CG LEU A 53 -2.256 -3.057 3.106 1.00 0.00 C ATOM 832 CD1 LEU A 53 -1.157 -2.535 2.193 1.00 0.00 C ATOM 833 CD2 LEU A 53 -2.344 -2.216 4.372 1.00 0.00 C ATOM 0 H LEU A 53 -5.659 -4.085 1.482 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.331 -3.114 0.245 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.909 -2.037 2.209 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.343 -3.523 3.032 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.009 -4.080 3.389 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.208 -2.534 2.730 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.077 -3.177 1.316 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.397 -1.519 1.878 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.379 -2.219 4.878 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.614 -1.193 4.111 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.102 -2.634 5.034 1.00 0.00 H new ATOM 845 N ALA A 54 -2.987 -6.011 1.808 1.00 0.00 N ATOM 846 CA ALA A 54 -2.135 -7.189 1.913 1.00 0.00 C ATOM 847 C ALA A 54 -1.956 -7.859 0.555 1.00 0.00 C ATOM 848 O ALA A 54 -0.841 -8.208 0.169 1.00 0.00 O ATOM 849 CB ALA A 54 -2.718 -8.174 2.917 1.00 0.00 C ATOM 0 H ALA A 54 -3.849 -6.064 2.351 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.154 -6.868 2.263 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.072 -9.049 2.986 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.789 -7.698 3.895 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.711 -8.481 2.590 1.00 0.00 H new ATOM 855 N GLN A 55 -3.060 -8.036 -0.163 1.00 0.00 N ATOM 856 CA GLN A 55 -3.023 -8.666 -1.477 1.00 0.00 C ATOM 857 C GLN A 55 -1.781 -8.238 -2.252 1.00 0.00 C ATOM 858 O GLN A 55 -1.249 -8.999 -3.060 1.00 0.00 O ATOM 859 CB GLN A 55 -4.281 -8.312 -2.271 1.00 0.00 C ATOM 860 CG GLN A 55 -5.572 -8.551 -1.505 1.00 0.00 C ATOM 861 CD GLN A 55 -6.802 -8.450 -2.386 1.00 0.00 C ATOM 862 OE1 GLN A 55 -7.810 -9.113 -2.143 1.00 0.00 O ATOM 863 NE2 GLN A 55 -6.724 -7.618 -3.418 1.00 0.00 N ATOM 0 H GLN A 55 -3.991 -7.752 0.143 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.984 -9.746 -1.333 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.232 -7.264 -2.565 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -4.299 -8.900 -3.189 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.539 -9.539 -1.045 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.649 -7.825 -0.696 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -5.868 -7.088 -3.582 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.520 -7.509 -4.047 1.00 0.00 H new ATOM 872 N ILE A 56 -1.325 -7.015 -1.999 1.00 0.00 N ATOM 873 CA ILE A 56 -0.146 -6.486 -2.672 1.00 0.00 C ATOM 874 C ILE A 56 1.126 -6.830 -1.904 1.00 0.00 C ATOM 875 O ILE A 56 2.048 -7.437 -2.450 1.00 0.00 O ATOM 876 CB ILE A 56 -0.232 -4.958 -2.842 1.00 0.00 C ATOM 877 CG1 ILE A 56 -1.534 -4.575 -3.550 1.00 0.00 C ATOM 878 CG2 ILE A 56 0.970 -4.442 -3.619 1.00 0.00 C ATOM 879 CD1 ILE A 56 -2.061 -3.215 -3.149 1.00 0.00 C ATOM 0 H ILE A 56 -1.755 -6.373 -1.333 1.00 0.00 H new ATOM 0 HA ILE A 56 -0.110 -6.951 -3.657 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.227 -4.497 -1.854 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -1.370 -4.589 -4.628 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.292 -5.328 -3.333 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.894 -3.360 -3.731 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.885 -4.688 -3.080 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.994 -4.908 -4.604 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.985 -3.009 -3.689 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.257 -3.202 -2.077 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.321 -2.452 -3.392 1.00 0.00 H new ATOM 891 N ILE A 57 1.168 -6.439 -0.635 1.00 0.00 N ATOM 892 CA ILE A 57 2.325 -6.708 0.209 1.00 0.00 C ATOM 893 C ILE A 57 2.828 -8.134 0.014 1.00 0.00 C ATOM 894 O ILE A 57 3.950 -8.350 -0.443 1.00 0.00 O ATOM 895 CB ILE A 57 1.999 -6.490 1.698 1.00 0.00 C ATOM 896 CG1 ILE A 57 1.488 -5.066 1.928 1.00 0.00 C ATOM 897 CG2 ILE A 57 3.226 -6.764 2.555 1.00 0.00 C ATOM 898 CD1 ILE A 57 1.116 -4.783 3.366 1.00 0.00 C ATOM 0 H ILE A 57 0.414 -5.935 -0.169 1.00 0.00 H new ATOM 0 HA ILE A 57 3.104 -6.006 -0.090 1.00 0.00 H new ATOM 0 HB ILE A 57 1.214 -7.188 1.989 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.255 -4.358 1.613 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.617 -4.894 1.295 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.979 -6.606 3.605 1.00 0.00 H new ATOM 0 HG22 ILE A 57 3.548 -7.795 2.410 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.030 -6.088 2.265 1.00 0.00 H new ATOM 0 HD11 ILE A 57 0.762 -3.756 3.455 1.00 0.00 H new ATOM 0 HD12 ILE A 57 0.327 -5.467 3.679 1.00 0.00 H new ATOM 0 HD13 ILE A 57 1.990 -4.922 4.002 1.00 0.00 H new ATOM 910 N GLN A 58 1.989 -9.105 0.361 1.00 0.00 N ATOM 911 CA GLN A 58 2.348 -10.511 0.223 1.00 0.00 C ATOM 912 C GLN A 58 3.124 -10.750 -1.069 1.00 0.00 C ATOM 913 O GLN A 58 4.104 -11.494 -1.088 1.00 0.00 O ATOM 914 CB GLN A 58 1.093 -11.385 0.248 1.00 0.00 C ATOM 915 CG GLN A 58 0.360 -11.359 1.579 1.00 0.00 C ATOM 916 CD GLN A 58 -0.948 -12.123 1.540 1.00 0.00 C ATOM 917 OE1 GLN A 58 -1.964 -11.665 2.063 1.00 0.00 O ATOM 918 NE2 GLN A 58 -0.931 -13.296 0.917 1.00 0.00 N ATOM 0 H GLN A 58 1.056 -8.943 0.740 1.00 0.00 H new ATOM 0 HA GLN A 58 2.986 -10.781 1.064 1.00 0.00 H new ATOM 0 HB2 GLN A 58 0.414 -11.054 -0.538 1.00 0.00 H new ATOM 0 HB3 GLN A 58 1.372 -12.413 0.016 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.002 -11.784 2.351 1.00 0.00 H new ATOM 0 HG3 GLN A 58 0.164 -10.325 1.861 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.067 -13.638 0.497 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.782 -13.855 0.858 1.00 0.00 H new ATOM 927 N VAL A 59 2.677 -10.115 -2.148 1.00 0.00 N ATOM 928 CA VAL A 59 3.328 -10.258 -3.444 1.00 0.00 C ATOM 929 C VAL A 59 4.695 -9.582 -3.449 1.00 0.00 C ATOM 930 O VAL A 59 5.728 -10.246 -3.540 1.00 0.00 O ATOM 931 CB VAL A 59 2.468 -9.661 -4.574 1.00 0.00 C ATOM 932 CG1 VAL A 59 3.154 -9.841 -5.919 1.00 0.00 C ATOM 933 CG2 VAL A 59 1.086 -10.295 -4.582 1.00 0.00 C ATOM 0 H VAL A 59 1.866 -9.496 -2.150 1.00 0.00 H new ATOM 0 HA VAL A 59 3.453 -11.327 -3.619 1.00 0.00 H new ATOM 0 HB VAL A 59 2.352 -8.592 -4.393 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.532 -9.413 -6.705 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.120 -9.336 -5.905 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.303 -10.903 -6.112 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.492 -9.862 -5.386 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.180 -11.370 -4.738 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.595 -10.109 -3.627 1.00 0.00 H new ATOM 943 N VAL A 60 4.694 -8.256 -3.352 1.00 0.00 N ATOM 944 CA VAL A 60 5.934 -7.489 -3.343 1.00 0.00 C ATOM 945 C VAL A 60 6.925 -8.058 -2.335 1.00 0.00 C ATOM 946 O VAL A 60 8.132 -7.846 -2.448 1.00 0.00 O ATOM 947 CB VAL A 60 5.675 -6.007 -3.013 1.00 0.00 C ATOM 948 CG1 VAL A 60 4.859 -5.880 -1.736 1.00 0.00 C ATOM 949 CG2 VAL A 60 6.989 -5.251 -2.894 1.00 0.00 C ATOM 0 H VAL A 60 3.848 -7.691 -3.279 1.00 0.00 H new ATOM 0 HA VAL A 60 6.358 -7.561 -4.345 1.00 0.00 H new ATOM 0 HB VAL A 60 5.101 -5.565 -3.828 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.686 -4.826 -1.518 1.00 0.00 H new ATOM 0 HG12 VAL A 60 3.902 -6.386 -1.864 1.00 0.00 H new ATOM 0 HG13 VAL A 60 5.403 -6.336 -0.909 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.787 -4.206 -2.661 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.591 -5.691 -2.099 1.00 0.00 H new ATOM 0 HG23 VAL A 60 7.532 -5.314 -3.837 1.00 0.00 H new ATOM 959 N ALA A 61 6.407 -8.782 -1.348 1.00 0.00 N ATOM 960 CA ALA A 61 7.247 -9.384 -0.319 1.00 0.00 C ATOM 961 C ALA A 61 7.453 -10.872 -0.581 1.00 0.00 C ATOM 962 O ALA A 61 8.420 -11.466 -0.106 1.00 0.00 O ATOM 963 CB ALA A 61 6.634 -9.167 1.056 1.00 0.00 C ATOM 0 H ALA A 61 5.410 -8.966 -1.239 1.00 0.00 H new ATOM 0 HA ALA A 61 8.222 -8.898 -0.350 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.271 -9.622 1.814 1.00 0.00 H new ATOM 0 HB2 ALA A 61 6.545 -8.098 1.250 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.646 -9.626 1.090 1.00 0.00 H new ATOM 969 N ASN A 62 6.538 -11.467 -1.339 1.00 0.00 N ATOM 970 CA ASN A 62 6.620 -12.887 -1.662 1.00 0.00 C ATOM 971 C ASN A 62 6.368 -13.742 -0.424 1.00 0.00 C ATOM 972 O ASN A 62 7.025 -14.762 -0.219 1.00 0.00 O ATOM 973 CB ASN A 62 7.991 -13.218 -2.254 1.00 0.00 C ATOM 974 CG ASN A 62 8.403 -12.243 -3.340 1.00 0.00 C ATOM 975 OD1 ASN A 62 8.666 -11.071 -3.069 1.00 0.00 O ATOM 976 ND2 ASN A 62 8.461 -12.724 -4.576 1.00 0.00 N ATOM 0 H ASN A 62 5.732 -10.989 -1.741 1.00 0.00 H new ATOM 0 HA ASN A 62 5.849 -13.112 -2.400 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.738 -13.210 -1.460 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.972 -14.228 -2.664 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.732 -12.115 -5.348 1.00 0.00 H new ATOM 0 HD22 ASN A 62 8.234 -13.702 -4.754 1.00 0.00 H new ATOM 983 N GLU A 63 5.412 -13.318 0.397 1.00 0.00 N ATOM 984 CA GLU A 63 5.073 -14.046 1.614 1.00 0.00 C ATOM 985 C GLU A 63 3.599 -13.866 1.963 1.00 0.00 C ATOM 986 O GLU A 63 2.949 -12.928 1.501 1.00 0.00 O ATOM 987 CB GLU A 63 5.946 -13.570 2.778 1.00 0.00 C ATOM 988 CG GLU A 63 6.217 -14.647 3.815 1.00 0.00 C ATOM 989 CD GLU A 63 7.219 -15.679 3.337 1.00 0.00 C ATOM 990 OE1 GLU A 63 8.054 -15.337 2.473 1.00 0.00 O ATOM 991 OE2 GLU A 63 7.170 -16.826 3.826 1.00 0.00 O ATOM 0 H GLU A 63 4.859 -12.475 0.241 1.00 0.00 H new ATOM 0 HA GLU A 63 5.260 -15.105 1.438 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.896 -13.209 2.385 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.460 -12.724 3.264 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.588 -14.182 4.728 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.281 -15.145 4.069 1.00 0.00 H new ATOM 998 N LYS A 64 3.076 -14.773 2.782 1.00 0.00 N ATOM 999 CA LYS A 64 1.679 -14.717 3.195 1.00 0.00 C ATOM 1000 C LYS A 64 1.561 -14.323 4.664 1.00 0.00 C ATOM 1001 O LYS A 64 2.323 -14.798 5.507 1.00 0.00 O ATOM 1002 CB LYS A 64 1.002 -16.070 2.963 1.00 0.00 C ATOM 1003 CG LYS A 64 -0.425 -16.132 3.479 1.00 0.00 C ATOM 1004 CD LYS A 64 -0.798 -17.538 3.920 1.00 0.00 C ATOM 1005 CE LYS A 64 -1.793 -17.516 5.069 1.00 0.00 C ATOM 1006 NZ LYS A 64 -2.474 -18.830 5.238 1.00 0.00 N ATOM 0 H LYS A 64 3.600 -15.556 3.173 1.00 0.00 H new ATOM 0 HA LYS A 64 1.178 -13.959 2.592 1.00 0.00 H new ATOM 0 HB2 LYS A 64 1.003 -16.289 1.895 1.00 0.00 H new ATOM 0 HB3 LYS A 64 1.589 -16.849 3.449 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.540 -15.444 4.317 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.110 -15.801 2.698 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.225 -18.083 3.078 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.100 -18.075 4.225 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.276 -17.253 5.992 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -2.538 -16.741 4.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -3.144 -18.774 6.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -2.988 -19.069 4.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.765 -19.565 5.435 1.00 0.00 H new ATOM 1020 N ILE A 65 0.602 -13.454 4.964 1.00 0.00 N ATOM 1021 CA ILE A 65 0.384 -12.999 6.331 1.00 0.00 C ATOM 1022 C ILE A 65 -0.678 -13.843 7.029 1.00 0.00 C ATOM 1023 O ILE A 65 -1.845 -13.836 6.638 1.00 0.00 O ATOM 1024 CB ILE A 65 -0.044 -11.520 6.371 1.00 0.00 C ATOM 1025 CG1 ILE A 65 0.836 -10.686 5.438 1.00 0.00 C ATOM 1026 CG2 ILE A 65 0.028 -10.986 7.794 1.00 0.00 C ATOM 1027 CD1 ILE A 65 0.265 -9.320 5.129 1.00 0.00 C ATOM 0 H ILE A 65 -0.037 -13.051 4.278 1.00 0.00 H new ATOM 0 HA ILE A 65 1.334 -13.108 6.855 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.076 -11.446 6.028 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.820 -10.565 5.891 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.980 -11.230 4.505 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.277 -9.940 7.806 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -0.637 -11.565 8.434 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.050 -11.070 8.163 1.00 0.00 H new ATOM 0 HD11 ILE A 65 0.942 -8.785 4.463 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.706 -9.432 4.647 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.147 -8.757 6.055 1.00 0.00 H new ATOM 1039 N GLU A 66 -0.264 -14.568 8.063 1.00 0.00 N ATOM 1040 CA GLU A 66 -1.181 -15.416 8.816 1.00 0.00 C ATOM 1041 C GLU A 66 -1.910 -14.612 9.889 1.00 0.00 C ATOM 1042 O GLU A 66 -2.724 -15.152 10.638 1.00 0.00 O ATOM 1043 CB GLU A 66 -0.423 -16.578 9.461 1.00 0.00 C ATOM 1044 CG GLU A 66 0.215 -17.522 8.455 1.00 0.00 C ATOM 1045 CD GLU A 66 0.813 -18.753 9.107 1.00 0.00 C ATOM 1046 OE1 GLU A 66 0.048 -19.686 9.427 1.00 0.00 O ATOM 1047 OE2 GLU A 66 2.047 -18.782 9.298 1.00 0.00 O ATOM 0 H GLU A 66 0.699 -14.585 8.398 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.920 -15.815 8.121 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.353 -16.177 10.113 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.109 -17.143 10.092 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.534 -17.830 7.726 1.00 0.00 H new ATOM 0 HG3 GLU A 66 0.994 -16.991 7.908 1.00 0.00 H new ATOM 1054 N ASP A 67 -1.611 -13.320 9.956 1.00 0.00 N ATOM 1055 CA ASP A 67 -2.238 -12.440 10.936 1.00 0.00 C ATOM 1056 C ASP A 67 -3.233 -11.499 10.265 1.00 0.00 C ATOM 1057 O ASP A 67 -3.348 -10.332 10.639 1.00 0.00 O ATOM 1058 CB ASP A 67 -1.174 -11.631 11.680 1.00 0.00 C ATOM 1059 CG ASP A 67 0.003 -11.271 10.796 1.00 0.00 C ATOM 1060 OD1 ASP A 67 0.686 -12.197 10.310 1.00 0.00 O ATOM 1061 OD2 ASP A 67 0.242 -10.063 10.588 1.00 0.00 O ATOM 0 H ASP A 67 -0.939 -12.858 9.344 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.779 -13.060 11.651 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -1.623 -10.718 12.071 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.819 -12.204 12.537 1.00 0.00 H new ATOM 1066 N ILE A 68 -3.949 -12.015 9.271 1.00 0.00 N ATOM 1067 CA ILE A 68 -4.935 -11.221 8.548 1.00 0.00 C ATOM 1068 C ILE A 68 -6.347 -11.744 8.789 1.00 0.00 C ATOM 1069 O ILE A 68 -6.640 -12.910 8.529 1.00 0.00 O ATOM 1070 CB ILE A 68 -4.652 -11.217 7.034 1.00 0.00 C ATOM 1071 CG1 ILE A 68 -3.288 -10.586 6.749 1.00 0.00 C ATOM 1072 CG2 ILE A 68 -5.752 -10.471 6.292 1.00 0.00 C ATOM 1073 CD1 ILE A 68 -3.222 -9.112 7.084 1.00 0.00 C ATOM 0 H ILE A 68 -3.865 -12.979 8.948 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.859 -10.202 8.927 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.635 -12.248 6.680 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -2.526 -11.115 7.321 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.047 -10.722 5.695 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -5.538 -10.477 5.223 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.709 -10.960 6.473 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -5.797 -9.442 6.648 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.226 -8.731 6.857 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.961 -8.571 6.493 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.431 -8.970 8.144 1.00 0.00 H new ATOM 1085 N ASN A 69 -7.218 -10.872 9.287 1.00 0.00 N ATOM 1086 CA ASN A 69 -8.600 -11.246 9.562 1.00 0.00 C ATOM 1087 C ASN A 69 -9.259 -11.844 8.323 1.00 0.00 C ATOM 1088 O ASN A 69 -9.715 -12.987 8.340 1.00 0.00 O ATOM 1089 CB ASN A 69 -9.395 -10.027 10.037 1.00 0.00 C ATOM 1090 CG ASN A 69 -10.883 -10.304 10.121 1.00 0.00 C ATOM 1091 OD1 ASN A 69 -11.329 -11.431 9.906 1.00 0.00 O ATOM 1092 ND2 ASN A 69 -11.660 -9.274 10.435 1.00 0.00 N ATOM 0 H ASN A 69 -6.991 -9.902 9.508 1.00 0.00 H new ATOM 0 HA ASN A 69 -8.596 -12.000 10.350 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -9.030 -9.718 11.016 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -9.221 -9.195 9.355 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -12.670 -9.400 10.506 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -11.247 -8.357 10.605 1.00 0.00 H new ATOM 1099 N GLY A 70 -9.305 -11.064 7.247 1.00 0.00 N ATOM 1100 CA GLY A 70 -9.909 -11.534 6.014 1.00 0.00 C ATOM 1101 C GLY A 70 -11.281 -10.935 5.776 1.00 0.00 C ATOM 1102 O GLY A 70 -11.534 -10.346 4.724 1.00 0.00 O ATOM 0 H GLY A 70 -8.934 -10.115 7.207 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -9.257 -11.286 5.176 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -9.990 -12.621 6.044 1.00 0.00 H new ATOM 1106 N CYS A 71 -12.168 -11.088 6.752 1.00 0.00 N ATOM 1107 CA CYS A 71 -13.524 -10.560 6.643 1.00 0.00 C ATOM 1108 C CYS A 71 -13.843 -9.634 7.812 1.00 0.00 C ATOM 1109 O CYS A 71 -14.542 -10.003 8.755 1.00 0.00 O ATOM 1110 CB CYS A 71 -14.537 -11.704 6.592 1.00 0.00 C ATOM 1111 SG CYS A 71 -16.253 -11.164 6.411 1.00 0.00 S ATOM 0 H CYS A 71 -11.973 -11.573 7.628 1.00 0.00 H new ATOM 0 HA CYS A 71 -13.590 -9.985 5.719 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -14.285 -12.361 5.760 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -14.448 -12.295 7.504 1.00 0.00 H new ATOM 0 HG CYS A 71 -17.033 -12.203 6.376 1.00 0.00 H new ATOM 1117 N PRO A 72 -13.317 -8.401 7.751 1.00 0.00 N ATOM 1118 CA PRO A 72 -13.532 -7.397 8.797 1.00 0.00 C ATOM 1119 C PRO A 72 -14.969 -6.889 8.828 1.00 0.00 C ATOM 1120 O PRO A 72 -15.347 -6.017 8.045 1.00 0.00 O ATOM 1121 CB PRO A 72 -12.574 -6.268 8.407 1.00 0.00 C ATOM 1122 CG PRO A 72 -12.392 -6.417 6.936 1.00 0.00 C ATOM 1123 CD PRO A 72 -12.474 -7.892 6.656 1.00 0.00 C ATOM 0 HA PRO A 72 -13.353 -7.802 9.793 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -12.989 -5.292 8.658 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.624 -6.355 8.934 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -13.163 -5.873 6.390 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -11.431 -6.012 6.619 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -12.918 -8.092 5.681 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -11.488 -8.357 6.659 1.00 0.00 H new ATOM 1131 N LYS A 73 -15.767 -7.439 9.737 1.00 0.00 N ATOM 1132 CA LYS A 73 -17.163 -7.041 9.871 1.00 0.00 C ATOM 1133 C LYS A 73 -17.312 -5.912 10.887 1.00 0.00 C ATOM 1134 O LYS A 73 -17.911 -4.878 10.596 1.00 0.00 O ATOM 1135 CB LYS A 73 -18.018 -8.238 10.294 1.00 0.00 C ATOM 1136 CG LYS A 73 -18.305 -9.210 9.163 1.00 0.00 C ATOM 1137 CD LYS A 73 -19.288 -8.627 8.163 1.00 0.00 C ATOM 1138 CE LYS A 73 -19.284 -9.408 6.857 1.00 0.00 C ATOM 1139 NZ LYS A 73 -20.292 -8.884 5.894 1.00 0.00 N ATOM 0 H LYS A 73 -15.470 -8.162 10.392 1.00 0.00 H new ATOM 0 HA LYS A 73 -17.507 -6.681 8.901 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -17.511 -8.770 11.099 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -18.963 -7.874 10.698 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -17.375 -9.463 8.655 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -18.707 -10.137 9.572 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -20.291 -8.635 8.590 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -19.034 -7.585 7.966 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -18.292 -9.359 6.407 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -19.489 -10.459 7.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -20.258 -9.443 5.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -21.241 -8.954 6.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -20.082 -7.889 5.679 1.00 0.00 H new ATOM 1153 N ASN A 74 -16.760 -6.118 12.078 1.00 0.00 N ATOM 1154 CA ASN A 74 -16.831 -5.117 13.136 1.00 0.00 C ATOM 1155 C ASN A 74 -16.091 -3.845 12.733 1.00 0.00 C ATOM 1156 O ASN A 74 -15.355 -3.830 11.746 1.00 0.00 O ATOM 1157 CB ASN A 74 -16.241 -5.674 14.434 1.00 0.00 C ATOM 1158 CG ASN A 74 -17.283 -6.364 15.293 1.00 0.00 C ATOM 1159 OD1 ASN A 74 -18.019 -7.230 14.821 1.00 0.00 O ATOM 1160 ND2 ASN A 74 -17.351 -5.980 16.563 1.00 0.00 N ATOM 0 H ASN A 74 -16.259 -6.969 12.335 1.00 0.00 H new ATOM 0 HA ASN A 74 -17.880 -4.870 13.298 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.446 -6.380 14.195 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -15.786 -4.862 15.001 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -18.033 -6.407 17.189 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -16.721 -5.258 16.912 1.00 0.00 H new ATOM 1167 N ARG A 75 -16.291 -2.781 13.503 1.00 0.00 N ATOM 1168 CA ARG A 75 -15.643 -1.505 13.226 1.00 0.00 C ATOM 1169 C ARG A 75 -14.169 -1.546 13.618 1.00 0.00 C ATOM 1170 O ARG A 75 -13.322 -0.951 12.952 1.00 0.00 O ATOM 1171 CB ARG A 75 -16.350 -0.376 13.978 1.00 0.00 C ATOM 1172 CG ARG A 75 -15.888 1.013 13.567 1.00 0.00 C ATOM 1173 CD ARG A 75 -14.704 1.476 14.401 1.00 0.00 C ATOM 1174 NE ARG A 75 -15.086 1.764 15.781 1.00 0.00 N ATOM 1175 CZ ARG A 75 -14.211 1.923 16.767 1.00 0.00 C ATOM 1176 NH1 ARG A 75 -12.911 1.823 16.528 1.00 0.00 N ATOM 1177 NH2 ARG A 75 -14.636 2.183 17.997 1.00 0.00 N ATOM 0 H ARG A 75 -16.897 -2.777 14.324 1.00 0.00 H new ATOM 0 HA ARG A 75 -15.711 -1.318 12.154 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -17.424 -0.457 13.811 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -16.183 -0.503 15.048 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -15.612 1.009 12.513 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -16.711 1.719 13.678 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -13.931 0.707 14.392 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -14.271 2.369 13.951 1.00 0.00 H new ATOM 0 HE ARG A 75 -16.079 1.848 15.999 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -12.580 1.623 15.584 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -12.242 1.946 17.288 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -15.635 2.261 18.185 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -13.963 2.305 18.754 1.00 0.00 H new ATOM 1191 N SER A 76 -13.871 -2.253 14.704 1.00 0.00 N ATOM 1192 CA SER A 76 -12.500 -2.369 15.187 1.00 0.00 C ATOM 1193 C SER A 76 -11.762 -3.491 14.464 1.00 0.00 C ATOM 1194 O SER A 76 -10.550 -3.420 14.261 1.00 0.00 O ATOM 1195 CB SER A 76 -12.489 -2.625 16.695 1.00 0.00 C ATOM 1196 OG SER A 76 -12.907 -3.946 16.991 1.00 0.00 O ATOM 0 H SER A 76 -14.560 -2.754 15.265 1.00 0.00 H new ATOM 0 HA SER A 76 -11.987 -1.429 14.981 1.00 0.00 H new ATOM 0 HB2 SER A 76 -11.485 -2.461 17.088 1.00 0.00 H new ATOM 0 HB3 SER A 76 -13.146 -1.912 17.193 1.00 0.00 H new ATOM 0 HG SER A 76 -12.890 -4.085 17.961 1.00 0.00 H new ATOM 1202 N GLN A 77 -12.502 -4.525 14.077 1.00 0.00 N ATOM 1203 CA GLN A 77 -11.918 -5.662 13.377 1.00 0.00 C ATOM 1204 C GLN A 77 -11.023 -5.197 12.233 1.00 0.00 C ATOM 1205 O GLN A 77 -9.953 -5.759 12.001 1.00 0.00 O ATOM 1206 CB GLN A 77 -13.019 -6.577 12.838 1.00 0.00 C ATOM 1207 CG GLN A 77 -13.439 -7.664 13.814 1.00 0.00 C ATOM 1208 CD GLN A 77 -12.444 -8.806 13.879 1.00 0.00 C ATOM 1209 OE1 GLN A 77 -11.411 -8.783 13.210 1.00 0.00 O ATOM 1210 NE2 GLN A 77 -12.751 -9.814 14.687 1.00 0.00 N ATOM 0 H GLN A 77 -13.507 -4.598 14.237 1.00 0.00 H new ATOM 0 HA GLN A 77 -11.308 -6.219 14.088 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -13.890 -5.973 12.583 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -12.673 -7.043 11.915 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -13.554 -7.230 14.807 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -14.414 -8.053 13.521 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -13.618 -9.792 15.223 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -12.120 -10.611 14.771 1.00 0.00 H new ATOM 1219 N MET A 78 -11.467 -4.166 11.522 1.00 0.00 N ATOM 1220 CA MET A 78 -10.705 -3.624 10.403 1.00 0.00 C ATOM 1221 C MET A 78 -9.329 -3.152 10.860 1.00 0.00 C ATOM 1222 O MET A 78 -8.325 -3.399 10.191 1.00 0.00 O ATOM 1223 CB MET A 78 -11.465 -2.465 9.755 1.00 0.00 C ATOM 1224 CG MET A 78 -12.758 -2.889 9.078 1.00 0.00 C ATOM 1225 SD MET A 78 -13.844 -1.495 8.719 1.00 0.00 S ATOM 1226 CE MET A 78 -15.446 -2.213 9.074 1.00 0.00 C ATOM 0 H MET A 78 -12.351 -3.689 11.701 1.00 0.00 H new ATOM 0 HA MET A 78 -10.572 -4.418 9.668 1.00 0.00 H new ATOM 0 HB2 MET A 78 -11.691 -1.719 10.517 1.00 0.00 H new ATOM 0 HB3 MET A 78 -10.820 -1.985 9.019 1.00 0.00 H new ATOM 0 HG2 MET A 78 -12.524 -3.410 8.150 1.00 0.00 H new ATOM 0 HG3 MET A 78 -13.283 -3.598 9.718 1.00 0.00 H new ATOM 0 HE1 MET A 78 -16.141 -1.966 8.272 1.00 0.00 H new ATOM 0 HE2 MET A 78 -15.350 -3.296 9.150 1.00 0.00 H new ATOM 0 HE3 MET A 78 -15.823 -1.815 10.016 1.00 0.00 H new ATOM 1236 N ILE A 79 -9.290 -2.474 12.002 1.00 0.00 N ATOM 1237 CA ILE A 79 -8.036 -1.970 12.548 1.00 0.00 C ATOM 1238 C ILE A 79 -6.960 -3.050 12.543 1.00 0.00 C ATOM 1239 O ILE A 79 -5.864 -2.846 12.021 1.00 0.00 O ATOM 1240 CB ILE A 79 -8.217 -1.448 13.986 1.00 0.00 C ATOM 1241 CG1 ILE A 79 -9.276 -0.344 14.021 1.00 0.00 C ATOM 1242 CG2 ILE A 79 -6.893 -0.937 14.534 1.00 0.00 C ATOM 1243 CD1 ILE A 79 -8.853 0.922 13.310 1.00 0.00 C ATOM 0 H ILE A 79 -10.112 -2.261 12.567 1.00 0.00 H new ATOM 0 HA ILE A 79 -7.722 -1.146 11.908 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.556 -2.271 14.616 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.193 -0.717 13.566 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -9.508 -0.108 15.059 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -7.037 -0.571 15.551 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -6.164 -1.748 14.540 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -6.528 -0.125 13.905 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -9.652 1.660 13.375 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.953 1.319 13.779 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.649 0.700 12.263 1.00 0.00 H new ATOM 1255 N GLU A 80 -7.281 -4.201 13.127 1.00 0.00 N ATOM 1256 CA GLU A 80 -6.342 -5.314 13.188 1.00 0.00 C ATOM 1257 C GLU A 80 -5.708 -5.567 11.823 1.00 0.00 C ATOM 1258 O GLU A 80 -4.486 -5.635 11.698 1.00 0.00 O ATOM 1259 CB GLU A 80 -7.048 -6.580 13.678 1.00 0.00 C ATOM 1260 CG GLU A 80 -7.371 -6.562 15.162 1.00 0.00 C ATOM 1261 CD GLU A 80 -7.983 -7.863 15.642 1.00 0.00 C ATOM 1262 OE1 GLU A 80 -8.874 -8.391 14.945 1.00 0.00 O ATOM 1263 OE2 GLU A 80 -7.573 -8.353 16.715 1.00 0.00 O ATOM 0 H GLU A 80 -8.184 -4.386 13.564 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.553 -5.052 13.892 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.972 -6.711 13.115 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.418 -7.443 13.462 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.459 -6.364 15.726 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.059 -5.743 15.370 1.00 0.00 H new ATOM 1270 N ASN A 81 -6.549 -5.707 10.804 1.00 0.00 N ATOM 1271 CA ASN A 81 -6.072 -5.955 9.448 1.00 0.00 C ATOM 1272 C ASN A 81 -4.855 -5.091 9.134 1.00 0.00 C ATOM 1273 O ASN A 81 -3.730 -5.588 9.061 1.00 0.00 O ATOM 1274 CB ASN A 81 -7.185 -5.675 8.435 1.00 0.00 C ATOM 1275 CG ASN A 81 -8.465 -6.420 8.762 1.00 0.00 C ATOM 1276 OD1 ASN A 81 -8.925 -6.415 9.904 1.00 0.00 O ATOM 1277 ND2 ASN A 81 -9.046 -7.067 7.758 1.00 0.00 N ATOM 0 H ASN A 81 -7.564 -5.653 10.891 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.780 -7.003 9.377 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -7.388 -4.604 8.409 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -6.846 -5.960 7.439 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -9.909 -7.587 7.918 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -8.629 -7.044 6.827 1.00 0.00 H new ATOM 1284 N ILE A 82 -5.087 -3.796 8.949 1.00 0.00 N ATOM 1285 CA ILE A 82 -4.009 -2.863 8.644 1.00 0.00 C ATOM 1286 C ILE A 82 -2.848 -3.027 9.620 1.00 0.00 C ATOM 1287 O ILE A 82 -1.682 -2.977 9.227 1.00 0.00 O ATOM 1288 CB ILE A 82 -4.498 -1.403 8.687 1.00 0.00 C ATOM 1289 CG1 ILE A 82 -5.585 -1.176 7.635 1.00 0.00 C ATOM 1290 CG2 ILE A 82 -3.335 -0.448 8.470 1.00 0.00 C ATOM 1291 CD1 ILE A 82 -6.584 -0.107 8.019 1.00 0.00 C ATOM 0 H ILE A 82 -6.012 -3.369 9.005 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.668 -3.094 7.635 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.924 -1.207 9.671 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -5.114 -0.900 6.692 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -6.115 -2.113 7.464 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.697 0.580 8.503 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.591 -0.596 9.253 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.882 -0.642 7.498 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -7.325 -0.000 7.227 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -7.082 -0.391 8.946 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -6.066 0.841 8.161 1.00 0.00 H new ATOM 1303 N ASP A 83 -3.175 -3.224 10.892 1.00 0.00 N ATOM 1304 CA ASP A 83 -2.160 -3.399 11.924 1.00 0.00 C ATOM 1305 C ASP A 83 -1.234 -4.563 11.584 1.00 0.00 C ATOM 1306 O ASP A 83 -0.014 -4.454 11.704 1.00 0.00 O ATOM 1307 CB ASP A 83 -2.819 -3.636 13.284 1.00 0.00 C ATOM 1308 CG ASP A 83 -1.978 -3.117 14.433 1.00 0.00 C ATOM 1309 OD1 ASP A 83 -1.154 -2.208 14.202 1.00 0.00 O ATOM 1310 OD2 ASP A 83 -2.144 -3.621 15.564 1.00 0.00 O ATOM 0 H ASP A 83 -4.135 -3.267 11.233 1.00 0.00 H new ATOM 0 HA ASP A 83 -1.565 -2.487 11.972 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -3.794 -3.149 13.302 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -2.994 -4.703 13.419 1.00 0.00 H new ATOM 1315 N ALA A 84 -1.823 -5.677 11.161 1.00 0.00 N ATOM 1316 CA ALA A 84 -1.051 -6.861 10.804 1.00 0.00 C ATOM 1317 C ALA A 84 0.051 -6.517 9.808 1.00 0.00 C ATOM 1318 O ALA A 84 1.215 -6.865 10.011 1.00 0.00 O ATOM 1319 CB ALA A 84 -1.966 -7.934 10.232 1.00 0.00 C ATOM 0 H ALA A 84 -2.832 -5.784 11.057 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.580 -7.245 11.709 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -1.377 -8.813 9.970 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.715 -8.208 10.975 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.463 -7.551 9.341 1.00 0.00 H new ATOM 1325 N CYS A 85 -0.322 -5.833 8.732 1.00 0.00 N ATOM 1326 CA CYS A 85 0.636 -5.443 7.703 1.00 0.00 C ATOM 1327 C CYS A 85 1.769 -4.616 8.301 1.00 0.00 C ATOM 1328 O CYS A 85 2.939 -4.813 7.968 1.00 0.00 O ATOM 1329 CB CYS A 85 -0.064 -4.650 6.599 1.00 0.00 C ATOM 1330 SG CYS A 85 -1.516 -5.475 5.905 1.00 0.00 S ATOM 0 H CYS A 85 -1.281 -5.537 8.549 1.00 0.00 H new ATOM 0 HA CYS A 85 1.061 -6.350 7.274 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.366 -3.681 6.998 1.00 0.00 H new ATOM 0 HB3 CYS A 85 0.649 -4.457 5.797 1.00 0.00 H new ATOM 0 HG CYS A 85 -2.455 -4.600 5.699 1.00 0.00 H new ATOM 1336 N LEU A 86 1.415 -3.688 9.183 1.00 0.00 N ATOM 1337 CA LEU A 86 2.402 -2.827 9.826 1.00 0.00 C ATOM 1338 C LEU A 86 3.416 -3.654 10.610 1.00 0.00 C ATOM 1339 O LEU A 86 4.618 -3.399 10.550 1.00 0.00 O ATOM 1340 CB LEU A 86 1.709 -1.832 10.758 1.00 0.00 C ATOM 1341 CG LEU A 86 0.684 -0.903 10.106 1.00 0.00 C ATOM 1342 CD1 LEU A 86 -0.098 -0.143 11.166 1.00 0.00 C ATOM 1343 CD2 LEU A 86 1.370 0.063 9.151 1.00 0.00 C ATOM 0 H LEU A 86 0.452 -3.512 9.469 1.00 0.00 H new ATOM 0 HA LEU A 86 2.932 -2.278 9.048 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.210 -2.392 11.549 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.473 -1.219 11.235 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.016 -1.511 9.534 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.822 0.513 10.683 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -0.621 -0.850 11.809 1.00 0.00 H new ATOM 0 HD13 LEU A 86 0.588 0.454 11.766 1.00 0.00 H new ATOM 0 HD21 LEU A 86 0.625 0.716 8.697 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.094 0.665 9.700 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.883 -0.499 8.371 1.00 0.00 H new ATOM 1355 N ASN A 87 2.923 -4.647 11.343 1.00 0.00 N ATOM 1356 CA ASN A 87 3.786 -5.512 12.138 1.00 0.00 C ATOM 1357 C ASN A 87 4.610 -6.431 11.241 1.00 0.00 C ATOM 1358 O ASN A 87 5.788 -6.678 11.500 1.00 0.00 O ATOM 1359 CB ASN A 87 2.951 -6.347 13.111 1.00 0.00 C ATOM 1360 CG ASN A 87 2.320 -5.503 14.202 1.00 0.00 C ATOM 1361 OD1 ASN A 87 2.978 -5.130 15.173 1.00 0.00 O ATOM 1362 ND2 ASN A 87 1.037 -5.198 14.046 1.00 0.00 N ATOM 0 H ASN A 87 1.930 -4.872 11.403 1.00 0.00 H new ATOM 0 HA ASN A 87 4.468 -4.879 12.706 1.00 0.00 H new ATOM 0 HB2 ASN A 87 2.168 -6.868 12.560 1.00 0.00 H new ATOM 0 HB3 ASN A 87 3.583 -7.110 13.565 1.00 0.00 H new ATOM 0 HD21 ASN A 87 0.558 -4.633 14.747 1.00 0.00 H new ATOM 0 HD22 ASN A 87 0.530 -5.529 13.225 1.00 0.00 H new ATOM 1369 N PHE A 88 3.981 -6.935 10.183 1.00 0.00 N ATOM 1370 CA PHE A 88 4.655 -7.827 9.247 1.00 0.00 C ATOM 1371 C PHE A 88 5.762 -7.092 8.497 1.00 0.00 C ATOM 1372 O PHE A 88 6.859 -7.622 8.310 1.00 0.00 O ATOM 1373 CB PHE A 88 3.650 -8.410 8.252 1.00 0.00 C ATOM 1374 CG PHE A 88 4.290 -8.999 7.028 1.00 0.00 C ATOM 1375 CD1 PHE A 88 4.579 -8.203 5.930 1.00 0.00 C ATOM 1376 CD2 PHE A 88 4.604 -10.347 6.974 1.00 0.00 C ATOM 1377 CE1 PHE A 88 5.169 -8.742 4.802 1.00 0.00 C ATOM 1378 CE2 PHE A 88 5.194 -10.891 5.849 1.00 0.00 C ATOM 1379 CZ PHE A 88 5.476 -10.088 4.761 1.00 0.00 C ATOM 0 H PHE A 88 3.006 -6.741 9.953 1.00 0.00 H new ATOM 0 HA PHE A 88 5.104 -8.640 9.818 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.062 -9.180 8.751 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.956 -7.626 7.948 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.340 -7.150 5.956 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.385 -10.980 7.821 1.00 0.00 H new ATOM 0 HE1 PHE A 88 5.390 -8.111 3.954 1.00 0.00 H new ATOM 0 HE2 PHE A 88 5.435 -11.943 5.820 1.00 0.00 H new ATOM 0 HZ PHE A 88 5.936 -10.512 3.880 1.00 0.00 H new ATOM 1389 N LEU A 89 5.468 -5.870 8.068 1.00 0.00 N ATOM 1390 CA LEU A 89 6.437 -5.061 7.338 1.00 0.00 C ATOM 1391 C LEU A 89 7.592 -4.645 8.243 1.00 0.00 C ATOM 1392 O LEU A 89 8.751 -4.653 7.831 1.00 0.00 O ATOM 1393 CB LEU A 89 5.759 -3.820 6.754 1.00 0.00 C ATOM 1394 CG LEU A 89 4.906 -4.047 5.505 1.00 0.00 C ATOM 1395 CD1 LEU A 89 4.341 -2.729 4.998 1.00 0.00 C ATOM 1396 CD2 LEU A 89 5.721 -4.733 4.419 1.00 0.00 C ATOM 0 H LEU A 89 4.566 -5.417 8.213 1.00 0.00 H new ATOM 0 HA LEU A 89 6.837 -5.666 6.524 1.00 0.00 H new ATOM 0 HB2 LEU A 89 5.128 -3.378 7.525 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.530 -3.088 6.515 1.00 0.00 H new ATOM 0 HG LEU A 89 4.073 -4.698 5.771 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.737 -2.910 4.109 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.721 -2.277 5.772 1.00 0.00 H new ATOM 0 HD13 LEU A 89 5.160 -2.054 4.749 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.097 -4.886 3.538 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.574 -4.108 4.155 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.076 -5.697 4.784 1.00 0.00 H new ATOM 1408 N ALA A 90 7.266 -4.283 9.480 1.00 0.00 N ATOM 1409 CA ALA A 90 8.276 -3.867 10.445 1.00 0.00 C ATOM 1410 C ALA A 90 9.363 -4.927 10.593 1.00 0.00 C ATOM 1411 O ALA A 90 10.548 -4.607 10.673 1.00 0.00 O ATOM 1412 CB ALA A 90 7.631 -3.578 11.792 1.00 0.00 C ATOM 0 H ALA A 90 6.311 -4.270 9.837 1.00 0.00 H new ATOM 0 HA ALA A 90 8.743 -2.954 10.075 1.00 0.00 H new ATOM 0 HB1 ALA A 90 8.397 -3.268 12.503 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.896 -2.781 11.680 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.137 -4.478 12.159 1.00 0.00 H new ATOM 1418 N ALA A 91 8.950 -6.190 10.630 1.00 0.00 N ATOM 1419 CA ALA A 91 9.888 -7.297 10.767 1.00 0.00 C ATOM 1420 C ALA A 91 10.862 -7.340 9.594 1.00 0.00 C ATOM 1421 O ALA A 91 11.945 -7.916 9.693 1.00 0.00 O ATOM 1422 CB ALA A 91 9.137 -8.615 10.881 1.00 0.00 C ATOM 0 H ALA A 91 7.972 -6.472 10.567 1.00 0.00 H new ATOM 0 HA ALA A 91 10.465 -7.141 11.679 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.851 -9.433 10.983 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.488 -8.589 11.756 1.00 0.00 H new ATOM 0 HB3 ALA A 91 8.534 -8.769 9.986 1.00 0.00 H new ATOM 1428 N LYS A 92 10.469 -6.727 8.482 1.00 0.00 N ATOM 1429 CA LYS A 92 11.306 -6.695 7.289 1.00 0.00 C ATOM 1430 C LYS A 92 12.258 -5.503 7.325 1.00 0.00 C ATOM 1431 O LYS A 92 13.205 -5.430 6.544 1.00 0.00 O ATOM 1432 CB LYS A 92 10.436 -6.629 6.032 1.00 0.00 C ATOM 1433 CG LYS A 92 9.489 -7.807 5.885 1.00 0.00 C ATOM 1434 CD LYS A 92 10.181 -9.003 5.254 1.00 0.00 C ATOM 1435 CE LYS A 92 9.189 -10.103 4.909 1.00 0.00 C ATOM 1436 NZ LYS A 92 9.642 -10.913 3.744 1.00 0.00 N ATOM 0 H LYS A 92 9.575 -6.245 8.383 1.00 0.00 H new ATOM 0 HA LYS A 92 11.898 -7.610 7.266 1.00 0.00 H new ATOM 0 HB2 LYS A 92 9.855 -5.707 6.050 1.00 0.00 H new ATOM 0 HB3 LYS A 92 11.082 -6.581 5.155 1.00 0.00 H new ATOM 0 HG2 LYS A 92 9.099 -8.086 6.864 1.00 0.00 H new ATOM 0 HG3 LYS A 92 8.635 -7.515 5.273 1.00 0.00 H new ATOM 0 HD2 LYS A 92 10.704 -8.687 4.351 1.00 0.00 H new ATOM 0 HD3 LYS A 92 10.934 -9.392 5.939 1.00 0.00 H new ATOM 0 HE2 LYS A 92 9.053 -10.754 5.773 1.00 0.00 H new ATOM 0 HE3 LYS A 92 8.218 -9.660 4.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 8.939 -11.652 3.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 9.747 -10.297 2.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 10.557 -11.357 3.964 1.00 0.00 H new ATOM 1450 N GLY A 93 11.999 -4.572 8.238 1.00 0.00 N ATOM 1451 CA GLY A 93 12.843 -3.398 8.359 1.00 0.00 C ATOM 1452 C GLY A 93 12.157 -2.138 7.867 1.00 0.00 C ATOM 1453 O GLY A 93 12.814 -1.211 7.393 1.00 0.00 O ATOM 0 H GLY A 93 11.220 -4.610 8.896 1.00 0.00 H new ATOM 0 HA2 GLY A 93 13.131 -3.267 9.402 1.00 0.00 H new ATOM 0 HA3 GLY A 93 13.761 -3.554 7.792 1.00 0.00 H new ATOM 1457 N ILE A 94 10.834 -2.105 7.979 1.00 0.00 N ATOM 1458 CA ILE A 94 10.060 -0.950 7.541 1.00 0.00 C ATOM 1459 C ILE A 94 9.438 -0.223 8.729 1.00 0.00 C ATOM 1460 O ILE A 94 8.695 -0.814 9.511 1.00 0.00 O ATOM 1461 CB ILE A 94 8.943 -1.359 6.562 1.00 0.00 C ATOM 1462 CG1 ILE A 94 9.535 -2.092 5.356 1.00 0.00 C ATOM 1463 CG2 ILE A 94 8.158 -0.136 6.113 1.00 0.00 C ATOM 1464 CD1 ILE A 94 8.490 -2.646 4.414 1.00 0.00 C ATOM 0 H ILE A 94 10.276 -2.864 8.369 1.00 0.00 H new ATOM 0 HA ILE A 94 10.753 -0.281 7.030 1.00 0.00 H new ATOM 0 HB ILE A 94 8.260 -2.036 7.075 1.00 0.00 H new ATOM 0 HG12 ILE A 94 10.182 -1.408 4.807 1.00 0.00 H new ATOM 0 HG13 ILE A 94 10.163 -2.909 5.710 1.00 0.00 H new ATOM 0 HG21 ILE A 94 7.373 -0.441 5.422 1.00 0.00 H new ATOM 0 HG22 ILE A 94 7.710 0.347 6.981 1.00 0.00 H new ATOM 0 HG23 ILE A 94 8.828 0.564 5.614 1.00 0.00 H new ATOM 0 HD11 ILE A 94 8.981 -3.152 3.583 1.00 0.00 H new ATOM 0 HD12 ILE A 94 7.858 -3.355 4.948 1.00 0.00 H new ATOM 0 HD13 ILE A 94 7.877 -1.830 4.031 1.00 0.00 H new ATOM 1526 N GLY A 98 5.389 5.554 13.012 1.00 0.00 N ATOM 1527 CA GLY A 98 4.736 6.752 12.519 1.00 0.00 C ATOM 1528 C GLY A 98 3.335 6.480 12.006 1.00 0.00 C ATOM 1529 O GLY A 98 2.402 7.228 12.301 1.00 0.00 O ATOM 0 HA2 GLY A 98 4.690 7.492 13.318 1.00 0.00 H new ATOM 0 HA3 GLY A 98 5.335 7.185 11.718 1.00 0.00 H new ATOM 1533 N LEU A 99 3.187 5.409 11.235 1.00 0.00 N ATOM 1534 CA LEU A 99 1.890 5.040 10.679 1.00 0.00 C ATOM 1535 C LEU A 99 0.907 4.673 11.785 1.00 0.00 C ATOM 1536 O LEU A 99 1.294 4.122 12.816 1.00 0.00 O ATOM 1537 CB LEU A 99 2.044 3.868 9.708 1.00 0.00 C ATOM 1538 CG LEU A 99 3.062 4.058 8.582 1.00 0.00 C ATOM 1539 CD1 LEU A 99 3.240 2.766 7.800 1.00 0.00 C ATOM 1540 CD2 LEU A 99 2.630 5.187 7.658 1.00 0.00 C ATOM 0 H LEU A 99 3.949 4.781 10.980 1.00 0.00 H new ATOM 0 HA LEU A 99 1.496 5.901 10.140 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.325 2.983 10.279 1.00 0.00 H new ATOM 0 HB3 LEU A 99 1.071 3.663 9.261 1.00 0.00 H new ATOM 0 HG LEU A 99 4.021 4.325 9.026 1.00 0.00 H new ATOM 0 HD11 LEU A 99 3.968 2.920 7.003 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.595 1.982 8.469 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.285 2.468 7.367 1.00 0.00 H new ATOM 0 HD21 LEU A 99 3.366 5.308 6.863 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.660 4.949 7.222 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.554 6.114 8.227 1.00 0.00 H new ATOM 1552 N SER A 100 -0.367 4.980 11.564 1.00 0.00 N ATOM 1553 CA SER A 100 -1.406 4.684 12.543 1.00 0.00 C ATOM 1554 C SER A 100 -2.567 3.936 11.894 1.00 0.00 C ATOM 1555 O SER A 100 -3.310 4.499 11.091 1.00 0.00 O ATOM 1556 CB SER A 100 -1.913 5.976 13.187 1.00 0.00 C ATOM 1557 OG SER A 100 -1.059 6.390 14.240 1.00 0.00 O ATOM 0 H SER A 100 -0.705 5.434 10.715 1.00 0.00 H new ATOM 0 HA SER A 100 -0.973 4.048 13.315 1.00 0.00 H new ATOM 0 HB2 SER A 100 -1.974 6.762 12.434 1.00 0.00 H new ATOM 0 HB3 SER A 100 -2.922 5.823 13.571 1.00 0.00 H new ATOM 0 HG SER A 100 -1.404 7.218 14.634 1.00 0.00 H new ATOM 1563 N ALA A 101 -2.716 2.664 12.250 1.00 0.00 N ATOM 1564 CA ALA A 101 -3.786 1.839 11.704 1.00 0.00 C ATOM 1565 C ALA A 101 -5.109 2.598 11.685 1.00 0.00 C ATOM 1566 O ALA A 101 -5.788 2.653 10.660 1.00 0.00 O ATOM 1567 CB ALA A 101 -3.924 0.554 12.508 1.00 0.00 C ATOM 0 H ALA A 101 -2.109 2.183 12.914 1.00 0.00 H new ATOM 0 HA ALA A 101 -3.528 1.586 10.676 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.727 -0.053 12.089 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.988 -0.004 12.466 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.156 0.797 13.545 1.00 0.00 H new ATOM 1573 N GLU A 102 -5.469 3.180 12.825 1.00 0.00 N ATOM 1574 CA GLU A 102 -6.712 3.934 12.938 1.00 0.00 C ATOM 1575 C GLU A 102 -6.811 4.986 11.837 1.00 0.00 C ATOM 1576 O GLU A 102 -7.757 4.987 11.050 1.00 0.00 O ATOM 1577 CB GLU A 102 -6.804 4.605 14.310 1.00 0.00 C ATOM 1578 CG GLU A 102 -8.199 5.101 14.652 1.00 0.00 C ATOM 1579 CD GLU A 102 -8.276 5.718 16.035 1.00 0.00 C ATOM 1580 OE1 GLU A 102 -7.806 6.863 16.201 1.00 0.00 O ATOM 1581 OE2 GLU A 102 -8.805 5.055 16.952 1.00 0.00 O ATOM 0 H GLU A 102 -4.918 3.144 13.683 1.00 0.00 H new ATOM 0 HA GLU A 102 -7.542 3.237 12.826 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -6.482 3.897 15.074 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -6.111 5.445 14.341 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.510 5.838 13.912 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.902 4.270 14.589 1.00 0.00 H new ATOM 1588 N GLU A 103 -5.829 5.880 11.790 1.00 0.00 N ATOM 1589 CA GLU A 103 -5.807 6.938 10.788 1.00 0.00 C ATOM 1590 C GLU A 103 -5.953 6.360 9.383 1.00 0.00 C ATOM 1591 O GLU A 103 -6.743 6.852 8.577 1.00 0.00 O ATOM 1592 CB GLU A 103 -4.508 7.741 10.889 1.00 0.00 C ATOM 1593 CG GLU A 103 -4.342 8.465 12.214 1.00 0.00 C ATOM 1594 CD GLU A 103 -5.242 9.680 12.331 1.00 0.00 C ATOM 1595 OE1 GLU A 103 -6.214 9.775 11.553 1.00 0.00 O ATOM 1596 OE2 GLU A 103 -4.974 10.536 13.200 1.00 0.00 O ATOM 0 H GLU A 103 -5.038 5.893 12.434 1.00 0.00 H new ATOM 0 HA GLU A 103 -6.651 7.601 10.979 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -3.663 7.068 10.744 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -4.478 8.470 10.080 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.560 7.776 13.030 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -3.303 8.775 12.327 1.00 0.00 H new ATOM 1603 N ILE A 104 -5.185 5.313 9.098 1.00 0.00 N ATOM 1604 CA ILE A 104 -5.229 4.668 7.792 1.00 0.00 C ATOM 1605 C ILE A 104 -6.630 4.155 7.479 1.00 0.00 C ATOM 1606 O ILE A 104 -7.114 4.288 6.355 1.00 0.00 O ATOM 1607 CB ILE A 104 -4.235 3.494 7.711 1.00 0.00 C ATOM 1608 CG1 ILE A 104 -2.805 3.992 7.935 1.00 0.00 C ATOM 1609 CG2 ILE A 104 -4.353 2.792 6.366 1.00 0.00 C ATOM 1610 CD1 ILE A 104 -1.754 2.924 7.727 1.00 0.00 C ATOM 0 H ILE A 104 -4.526 4.894 9.754 1.00 0.00 H new ATOM 0 HA ILE A 104 -4.949 5.423 7.057 1.00 0.00 H new ATOM 0 HB ILE A 104 -4.477 2.777 8.495 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -2.607 4.822 7.257 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -2.719 4.382 8.949 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -3.644 1.965 6.324 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -5.366 2.409 6.243 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -4.133 3.499 5.566 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.765 3.348 7.902 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -1.926 2.104 8.424 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -1.812 2.550 6.705 1.00 0.00 H new ATOM 1622 N ARG A 105 -7.278 3.570 8.481 1.00 0.00 N ATOM 1623 CA ARG A 105 -8.625 3.038 8.313 1.00 0.00 C ATOM 1624 C ARG A 105 -9.627 4.162 8.067 1.00 0.00 C ATOM 1625 O ARG A 105 -10.681 3.947 7.471 1.00 0.00 O ATOM 1626 CB ARG A 105 -9.037 2.235 9.548 1.00 0.00 C ATOM 1627 CG ARG A 105 -10.326 1.451 9.364 1.00 0.00 C ATOM 1628 CD ARG A 105 -10.881 0.971 10.695 1.00 0.00 C ATOM 1629 NE ARG A 105 -12.332 0.808 10.656 1.00 0.00 N ATOM 1630 CZ ARG A 105 -13.184 1.825 10.589 1.00 0.00 C ATOM 1631 NH1 ARG A 105 -12.733 3.071 10.552 1.00 0.00 N ATOM 1632 NH2 ARG A 105 -14.491 1.596 10.557 1.00 0.00 N ATOM 0 H ARG A 105 -6.892 3.452 9.418 1.00 0.00 H new ATOM 0 HA ARG A 105 -8.623 2.380 7.444 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -8.235 1.543 9.805 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -9.153 2.916 10.391 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -11.066 2.077 8.865 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -10.143 0.595 8.715 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -10.417 0.021 10.960 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -10.617 1.684 11.476 1.00 0.00 H new ATOM 0 HE ARG A 105 -12.712 -0.138 10.682 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -11.729 3.251 10.575 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -13.390 3.850 10.501 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -14.842 0.639 10.584 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -15.145 2.377 10.506 1.00 0.00 H new ATOM 1646 N ASN A 106 -9.289 5.361 8.530 1.00 0.00 N ATOM 1647 CA ASN A 106 -10.160 6.518 8.361 1.00 0.00 C ATOM 1648 C ASN A 106 -9.960 7.153 6.988 1.00 0.00 C ATOM 1649 O ASN A 106 -10.833 7.860 6.487 1.00 0.00 O ATOM 1650 CB ASN A 106 -9.889 7.551 9.457 1.00 0.00 C ATOM 1651 CG ASN A 106 -10.648 7.249 10.735 1.00 0.00 C ATOM 1652 OD1 ASN A 106 -11.872 7.121 10.728 1.00 0.00 O ATOM 1653 ND2 ASN A 106 -9.921 7.134 11.841 1.00 0.00 N ATOM 0 H ASN A 106 -8.419 5.557 9.025 1.00 0.00 H new ATOM 0 HA ASN A 106 -11.193 6.178 8.438 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -8.820 7.579 9.670 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -10.168 8.541 9.097 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -10.376 6.932 12.731 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -8.908 7.248 11.800 1.00 0.00 H new ATOM 1660 N GLY A 107 -8.803 6.896 6.386 1.00 0.00 N ATOM 1661 CA GLY A 107 -8.509 7.449 5.077 1.00 0.00 C ATOM 1662 C GLY A 107 -7.525 8.600 5.142 1.00 0.00 C ATOM 1663 O GLY A 107 -7.287 9.278 4.143 1.00 0.00 O ATOM 0 H GLY A 107 -8.064 6.315 6.781 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -8.104 6.665 4.437 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -9.435 7.792 4.615 1.00 0.00 H new ATOM 1667 N ASN A 108 -6.955 8.823 6.321 1.00 0.00 N ATOM 1668 CA ASN A 108 -5.993 9.903 6.513 1.00 0.00 C ATOM 1669 C ASN A 108 -4.854 9.803 5.503 1.00 0.00 C ATOM 1670 O ASN A 108 -3.917 9.024 5.682 1.00 0.00 O ATOM 1671 CB ASN A 108 -5.432 9.867 7.936 1.00 0.00 C ATOM 1672 CG ASN A 108 -4.975 11.233 8.412 1.00 0.00 C ATOM 1673 OD1 ASN A 108 -5.788 12.134 8.620 1.00 0.00 O ATOM 1674 ND2 ASN A 108 -3.669 11.392 8.585 1.00 0.00 N ATOM 0 H ASN A 108 -7.142 8.271 7.158 1.00 0.00 H new ATOM 0 HA ASN A 108 -6.511 10.849 6.357 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -6.195 9.485 8.615 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -4.593 9.172 7.976 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -3.302 12.289 8.903 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -3.032 10.617 8.400 1.00 0.00 H new ATOM 1681 N LEU A 109 -4.941 10.596 4.441 1.00 0.00 N ATOM 1682 CA LEU A 109 -3.917 10.598 3.401 1.00 0.00 C ATOM 1683 C LEU A 109 -2.525 10.450 4.007 1.00 0.00 C ATOM 1684 O LEU A 109 -1.795 9.511 3.690 1.00 0.00 O ATOM 1685 CB LEU A 109 -3.995 11.888 2.584 1.00 0.00 C ATOM 1686 CG LEU A 109 -3.355 11.843 1.196 1.00 0.00 C ATOM 1687 CD1 LEU A 109 -3.867 10.646 0.410 1.00 0.00 C ATOM 1688 CD2 LEU A 109 -3.628 13.136 0.440 1.00 0.00 C ATOM 0 H LEU A 109 -5.710 11.246 4.277 1.00 0.00 H new ATOM 0 HA LEU A 109 -4.100 9.747 2.744 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -5.045 12.159 2.470 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -3.520 12.686 3.155 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.277 11.737 1.318 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.400 10.631 -0.575 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -3.620 9.728 0.943 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -4.949 10.720 0.298 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -3.165 13.086 -0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -4.704 13.272 0.329 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -3.211 13.977 0.994 1.00 0.00 H new ATOM 1700 N LYS A 110 -2.165 11.382 4.883 1.00 0.00 N ATOM 1701 CA LYS A 110 -0.862 11.355 5.538 1.00 0.00 C ATOM 1702 C LYS A 110 -0.468 9.928 5.904 1.00 0.00 C ATOM 1703 O LYS A 110 0.673 9.516 5.695 1.00 0.00 O ATOM 1704 CB LYS A 110 -0.881 12.229 6.794 1.00 0.00 C ATOM 1705 CG LYS A 110 -0.525 13.681 6.530 1.00 0.00 C ATOM 1706 CD LYS A 110 -1.139 14.178 5.231 1.00 0.00 C ATOM 1707 CE LYS A 110 -1.020 15.689 5.101 1.00 0.00 C ATOM 1708 NZ LYS A 110 -2.133 16.266 4.298 1.00 0.00 N ATOM 0 H LYS A 110 -2.758 12.166 5.156 1.00 0.00 H new ATOM 0 HA LYS A 110 -0.124 11.750 4.840 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -1.873 12.183 7.244 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -0.182 11.819 7.522 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -0.873 14.298 7.358 1.00 0.00 H new ATOM 0 HG3 LYS A 110 0.559 13.789 6.486 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -0.644 13.699 4.386 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -2.189 13.890 5.190 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -1.017 16.140 6.093 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -0.067 15.939 4.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -2.016 17.297 4.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -2.121 15.855 3.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -3.041 16.049 4.757 1.00 0.00 H new ATOM 1722 N ALA A 111 -1.418 9.177 6.451 1.00 0.00 N ATOM 1723 CA ALA A 111 -1.170 7.795 6.843 1.00 0.00 C ATOM 1724 C ALA A 111 -0.914 6.916 5.623 1.00 0.00 C ATOM 1725 O ALA A 111 0.140 6.290 5.509 1.00 0.00 O ATOM 1726 CB ALA A 111 -2.344 7.256 7.648 1.00 0.00 C ATOM 0 H ALA A 111 -2.367 9.503 6.633 1.00 0.00 H new ATOM 0 HA ALA A 111 -0.276 7.775 7.467 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -2.145 6.223 7.934 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -2.479 7.861 8.544 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -3.250 7.297 7.043 1.00 0.00 H new ATOM 1732 N ILE A 112 -1.884 6.874 4.716 1.00 0.00 N ATOM 1733 CA ILE A 112 -1.762 6.072 3.505 1.00 0.00 C ATOM 1734 C ILE A 112 -0.467 6.387 2.765 1.00 0.00 C ATOM 1735 O ILE A 112 0.402 5.526 2.617 1.00 0.00 O ATOM 1736 CB ILE A 112 -2.952 6.303 2.555 1.00 0.00 C ATOM 1737 CG1 ILE A 112 -4.265 5.929 3.247 1.00 0.00 C ATOM 1738 CG2 ILE A 112 -2.773 5.497 1.277 1.00 0.00 C ATOM 1739 CD1 ILE A 112 -4.893 7.074 4.010 1.00 0.00 C ATOM 0 H ILE A 112 -2.763 7.386 4.797 1.00 0.00 H new ATOM 0 HA ILE A 112 -1.754 5.028 3.818 1.00 0.00 H new ATOM 0 HB ILE A 112 -2.989 7.360 2.293 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -4.972 5.571 2.498 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -4.082 5.102 3.934 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -3.622 5.670 0.616 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -1.855 5.806 0.778 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -2.714 4.436 1.521 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -5.820 6.737 4.474 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -4.204 7.418 4.782 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -5.108 7.894 3.324 1.00 0.00 H new ATOM 1751 N LEU A 113 -0.342 7.626 2.303 1.00 0.00 N ATOM 1752 CA LEU A 113 0.849 8.057 1.579 1.00 0.00 C ATOM 1753 C LEU A 113 2.116 7.622 2.308 1.00 0.00 C ATOM 1754 O LEU A 113 3.032 7.066 1.704 1.00 0.00 O ATOM 1755 CB LEU A 113 0.843 9.576 1.405 1.00 0.00 C ATOM 1756 CG LEU A 113 -0.149 10.131 0.381 1.00 0.00 C ATOM 1757 CD1 LEU A 113 0.118 11.606 0.125 1.00 0.00 C ATOM 1758 CD2 LEU A 113 -0.072 9.340 -0.917 1.00 0.00 C ATOM 0 H LEU A 113 -1.051 8.350 2.417 1.00 0.00 H new ATOM 0 HA LEU A 113 0.837 7.586 0.596 1.00 0.00 H new ATOM 0 HB2 LEU A 113 0.629 10.031 2.372 1.00 0.00 H new ATOM 0 HB3 LEU A 113 1.846 9.893 1.118 1.00 0.00 H new ATOM 0 HG LEU A 113 -1.156 10.030 0.786 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.597 11.984 -0.606 1.00 0.00 H new ATOM 0 HD12 LEU A 113 0.013 12.162 1.057 1.00 0.00 H new ATOM 0 HD13 LEU A 113 1.130 11.731 -0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.784 9.748 -1.634 1.00 0.00 H new ATOM 0 HD22 LEU A 113 0.936 9.410 -1.326 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -0.313 8.295 -0.721 1.00 0.00 H new ATOM 1770 N GLY A 114 2.160 7.878 3.612 1.00 0.00 N ATOM 1771 CA GLY A 114 3.318 7.505 4.403 1.00 0.00 C ATOM 1772 C GLY A 114 3.620 6.021 4.325 1.00 0.00 C ATOM 1773 O GLY A 114 4.783 5.615 4.351 1.00 0.00 O ATOM 0 H GLY A 114 1.414 8.337 4.135 1.00 0.00 H new ATOM 0 HA2 GLY A 114 4.186 8.068 4.059 1.00 0.00 H new ATOM 0 HA3 GLY A 114 3.149 7.784 5.443 1.00 0.00 H new ATOM 1777 N LEU A 115 2.572 5.210 4.230 1.00 0.00 N ATOM 1778 CA LEU A 115 2.731 3.762 4.149 1.00 0.00 C ATOM 1779 C LEU A 115 3.350 3.356 2.815 1.00 0.00 C ATOM 1780 O LEU A 115 4.444 2.794 2.772 1.00 0.00 O ATOM 1781 CB LEU A 115 1.378 3.071 4.328 1.00 0.00 C ATOM 1782 CG LEU A 115 1.235 1.696 3.674 1.00 0.00 C ATOM 1783 CD1 LEU A 115 0.276 0.824 4.469 1.00 0.00 C ATOM 1784 CD2 LEU A 115 0.762 1.837 2.234 1.00 0.00 C ATOM 0 H LEU A 115 1.604 5.530 4.207 1.00 0.00 H new ATOM 0 HA LEU A 115 3.401 3.449 4.949 1.00 0.00 H new ATOM 0 HB2 LEU A 115 1.185 2.965 5.396 1.00 0.00 H new ATOM 0 HB3 LEU A 115 0.603 3.724 3.927 1.00 0.00 H new ATOM 0 HG LEU A 115 2.213 1.214 3.669 1.00 0.00 H new ATOM 0 HD11 LEU A 115 0.187 -0.150 3.989 1.00 0.00 H new ATOM 0 HD12 LEU A 115 0.656 0.695 5.482 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -0.703 1.301 4.507 1.00 0.00 H new ATOM 0 HD21 LEU A 115 0.666 0.849 1.784 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -0.205 2.339 2.216 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.486 2.424 1.669 1.00 0.00 H new ATOM 1796 N PHE A 116 2.643 3.646 1.728 1.00 0.00 N ATOM 1797 CA PHE A 116 3.123 3.312 0.392 1.00 0.00 C ATOM 1798 C PHE A 116 4.459 3.992 0.109 1.00 0.00 C ATOM 1799 O PHE A 116 5.130 3.682 -0.876 1.00 0.00 O ATOM 1800 CB PHE A 116 2.093 3.727 -0.661 1.00 0.00 C ATOM 1801 CG PHE A 116 1.095 2.650 -0.980 1.00 0.00 C ATOM 1802 CD1 PHE A 116 1.442 1.584 -1.793 1.00 0.00 C ATOM 1803 CD2 PHE A 116 -0.191 2.706 -0.466 1.00 0.00 C ATOM 1804 CE1 PHE A 116 0.526 0.592 -2.088 1.00 0.00 C ATOM 1805 CE2 PHE A 116 -1.111 1.717 -0.757 1.00 0.00 C ATOM 1806 CZ PHE A 116 -0.753 0.659 -1.570 1.00 0.00 C ATOM 0 H PHE A 116 1.736 4.112 1.746 1.00 0.00 H new ATOM 0 HA PHE A 116 3.267 2.233 0.344 1.00 0.00 H new ATOM 0 HB2 PHE A 116 1.562 4.611 -0.309 1.00 0.00 H new ATOM 0 HB3 PHE A 116 2.614 4.011 -1.575 1.00 0.00 H new ATOM 0 HD1 PHE A 116 2.440 1.527 -2.201 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -0.477 3.532 0.169 1.00 0.00 H new ATOM 0 HE1 PHE A 116 0.810 -0.235 -2.723 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -2.110 1.771 -0.349 1.00 0.00 H new ATOM 0 HZ PHE A 116 -1.471 -0.114 -1.800 1.00 0.00 H new ATOM 1816 N PHE A 117 4.839 4.922 0.979 1.00 0.00 N ATOM 1817 CA PHE A 117 6.094 5.648 0.822 1.00 0.00 C ATOM 1818 C PHE A 117 7.254 4.868 1.435 1.00 0.00 C ATOM 1819 O PHE A 117 8.377 4.908 0.933 1.00 0.00 O ATOM 1820 CB PHE A 117 5.994 7.029 1.473 1.00 0.00 C ATOM 1821 CG PHE A 117 7.304 7.762 1.530 1.00 0.00 C ATOM 1822 CD1 PHE A 117 8.313 7.338 2.379 1.00 0.00 C ATOM 1823 CD2 PHE A 117 7.525 8.875 0.735 1.00 0.00 C ATOM 1824 CE1 PHE A 117 9.520 8.010 2.434 1.00 0.00 C ATOM 1825 CE2 PHE A 117 8.730 9.550 0.785 1.00 0.00 C ATOM 1826 CZ PHE A 117 9.728 9.118 1.637 1.00 0.00 C ATOM 0 H PHE A 117 4.296 5.191 1.800 1.00 0.00 H new ATOM 0 HA PHE A 117 6.283 5.769 -0.245 1.00 0.00 H new ATOM 0 HB2 PHE A 117 5.274 7.631 0.919 1.00 0.00 H new ATOM 0 HB3 PHE A 117 5.605 6.917 2.485 1.00 0.00 H new ATOM 0 HD1 PHE A 117 8.155 6.472 3.005 1.00 0.00 H new ATOM 0 HD2 PHE A 117 6.747 9.219 0.069 1.00 0.00 H new ATOM 0 HE1 PHE A 117 10.299 7.669 3.100 1.00 0.00 H new ATOM 0 HE2 PHE A 117 8.891 10.415 0.158 1.00 0.00 H new ATOM 0 HZ PHE A 117 10.669 9.646 1.680 1.00 0.00 H new ATOM 1836 N SER A 118 6.973 4.159 2.524 1.00 0.00 N ATOM 1837 CA SER A 118 7.992 3.373 3.209 1.00 0.00 C ATOM 1838 C SER A 118 8.003 1.935 2.700 1.00 0.00 C ATOM 1839 O SER A 118 9.040 1.270 2.704 1.00 0.00 O ATOM 1840 CB SER A 118 7.749 3.390 4.720 1.00 0.00 C ATOM 1841 OG SER A 118 6.364 3.435 5.013 1.00 0.00 O ATOM 0 H SER A 118 6.048 4.113 2.951 1.00 0.00 H new ATOM 0 HA SER A 118 8.963 3.821 2.999 1.00 0.00 H new ATOM 0 HB2 SER A 118 8.191 2.502 5.173 1.00 0.00 H new ATOM 0 HB3 SER A 118 8.246 4.254 5.162 1.00 0.00 H new ATOM 0 HG SER A 118 6.021 4.335 4.834 1.00 0.00 H new ATOM 1847 N LEU A 119 6.842 1.461 2.261 1.00 0.00 N ATOM 1848 CA LEU A 119 6.715 0.102 1.748 1.00 0.00 C ATOM 1849 C LEU A 119 7.521 -0.073 0.465 1.00 0.00 C ATOM 1850 O LEU A 119 8.354 -0.973 0.361 1.00 0.00 O ATOM 1851 CB LEU A 119 5.245 -0.232 1.490 1.00 0.00 C ATOM 1852 CG LEU A 119 4.978 -1.375 0.510 1.00 0.00 C ATOM 1853 CD1 LEU A 119 5.513 -2.688 1.061 1.00 0.00 C ATOM 1854 CD2 LEU A 119 3.490 -1.486 0.212 1.00 0.00 C ATOM 0 H LEU A 119 5.975 1.998 2.250 1.00 0.00 H new ATOM 0 HA LEU A 119 7.110 -0.582 2.499 1.00 0.00 H new ATOM 0 HB2 LEU A 119 4.777 -0.480 2.443 1.00 0.00 H new ATOM 0 HB3 LEU A 119 4.750 0.664 1.116 1.00 0.00 H new ATOM 0 HG LEU A 119 5.499 -1.157 -0.422 1.00 0.00 H new ATOM 0 HD11 LEU A 119 5.314 -3.489 0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 119 6.588 -2.604 1.221 1.00 0.00 H new ATOM 0 HD13 LEU A 119 5.021 -2.913 2.008 1.00 0.00 H new ATOM 0 HD21 LEU A 119 3.319 -2.305 -0.487 1.00 0.00 H new ATOM 0 HD22 LEU A 119 2.947 -1.680 1.137 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.136 -0.553 -0.228 1.00 0.00 H new ATOM 1866 N SER A 120 7.268 0.795 -0.510 1.00 0.00 N ATOM 1867 CA SER A 120 7.969 0.736 -1.787 1.00 0.00 C ATOM 1868 C SER A 120 9.478 0.657 -1.576 1.00 0.00 C ATOM 1869 O SER A 120 10.204 0.113 -2.407 1.00 0.00 O ATOM 1870 CB SER A 120 7.625 1.960 -2.638 1.00 0.00 C ATOM 1871 OG SER A 120 8.334 3.105 -2.195 1.00 0.00 O ATOM 0 H SER A 120 6.583 1.547 -0.440 1.00 0.00 H new ATOM 0 HA SER A 120 7.646 -0.164 -2.310 1.00 0.00 H new ATOM 0 HB2 SER A 120 7.866 1.760 -3.682 1.00 0.00 H new ATOM 0 HB3 SER A 120 6.553 2.151 -2.589 1.00 0.00 H new ATOM 0 HG SER A 120 9.143 3.219 -2.736 1.00 0.00 H new ATOM 1877 N ARG A 121 9.942 1.204 -0.457 1.00 0.00 N ATOM 1878 CA ARG A 121 11.364 1.197 -0.136 1.00 0.00 C ATOM 1879 C ARG A 121 11.869 -0.229 0.064 1.00 0.00 C ATOM 1880 O ARG A 121 12.876 -0.629 -0.521 1.00 0.00 O ATOM 1881 CB ARG A 121 11.628 2.025 1.123 1.00 0.00 C ATOM 1882 CG ARG A 121 11.215 3.482 0.992 1.00 0.00 C ATOM 1883 CD ARG A 121 12.041 4.379 1.900 1.00 0.00 C ATOM 1884 NE ARG A 121 13.393 4.583 1.386 1.00 0.00 N ATOM 1885 CZ ARG A 121 14.350 5.207 2.062 1.00 0.00 C ATOM 1886 NH1 ARG A 121 14.106 5.686 3.274 1.00 0.00 N ATOM 1887 NH2 ARG A 121 15.555 5.353 1.527 1.00 0.00 N ATOM 0 H ARG A 121 9.354 1.657 0.242 1.00 0.00 H new ATOM 0 HA ARG A 121 11.903 1.640 -0.974 1.00 0.00 H new ATOM 0 HB2 ARG A 121 11.092 1.578 1.960 1.00 0.00 H new ATOM 0 HB3 ARG A 121 12.690 1.977 1.363 1.00 0.00 H new ATOM 0 HG2 ARG A 121 11.333 3.803 -0.043 1.00 0.00 H new ATOM 0 HG3 ARG A 121 10.159 3.586 1.240 1.00 0.00 H new ATOM 0 HD2 ARG A 121 11.544 5.343 2.006 1.00 0.00 H new ATOM 0 HD3 ARG A 121 12.094 3.937 2.895 1.00 0.00 H new ATOM 0 HE ARG A 121 13.614 4.226 0.456 1.00 0.00 H new ATOM 0 HH11 ARG A 121 13.181 5.575 3.689 1.00 0.00 H new ATOM 0 HH12 ARG A 121 14.843 6.165 3.791 1.00 0.00 H new ATOM 0 HH21 ARG A 121 15.747 4.986 0.595 1.00 0.00 H new ATOM 0 HH22 ARG A 121 16.289 5.833 2.048 1.00 0.00 H new ATOM 1901 N TYR A 122 11.164 -0.989 0.894 1.00 0.00 N ATOM 1902 CA TYR A 122 11.542 -2.369 1.174 1.00 0.00 C ATOM 1903 C TYR A 122 12.015 -3.073 -0.095 1.00 0.00 C ATOM 1904 O TYR A 122 13.123 -3.606 -0.147 1.00 0.00 O ATOM 1905 CB TYR A 122 10.363 -3.130 1.783 1.00 0.00 C ATOM 1906 CG TYR A 122 10.481 -4.632 1.656 1.00 0.00 C ATOM 1907 CD1 TYR A 122 11.119 -5.384 2.634 1.00 0.00 C ATOM 1908 CD2 TYR A 122 9.952 -5.299 0.557 1.00 0.00 C ATOM 1909 CE1 TYR A 122 11.229 -6.757 2.520 1.00 0.00 C ATOM 1910 CE2 TYR A 122 10.056 -6.671 0.436 1.00 0.00 C ATOM 1911 CZ TYR A 122 10.696 -7.395 1.420 1.00 0.00 C ATOM 1912 OH TYR A 122 10.802 -8.762 1.304 1.00 0.00 O ATOM 0 H TYR A 122 10.328 -0.673 1.385 1.00 0.00 H new ATOM 0 HA TYR A 122 12.365 -2.355 1.889 1.00 0.00 H new ATOM 0 HB2 TYR A 122 10.279 -2.869 2.838 1.00 0.00 H new ATOM 0 HB3 TYR A 122 9.442 -2.804 1.299 1.00 0.00 H new ATOM 0 HD1 TYR A 122 11.536 -4.888 3.498 1.00 0.00 H new ATOM 0 HD2 TYR A 122 9.451 -4.735 -0.216 1.00 0.00 H new ATOM 0 HE1 TYR A 122 11.730 -7.327 3.288 1.00 0.00 H new ATOM 0 HE2 TYR A 122 9.639 -7.174 -0.424 1.00 0.00 H new ATOM 0 HH TYR A 122 10.374 -9.054 0.472 1.00 0.00 H new ATOM 1922 N LYS A 123 11.166 -3.069 -1.117 1.00 0.00 N ATOM 1923 CA LYS A 123 11.494 -3.704 -2.387 1.00 0.00 C ATOM 1924 C LYS A 123 12.575 -2.919 -3.124 1.00 0.00 C ATOM 1925 O LYS A 123 13.607 -3.473 -3.502 1.00 0.00 O ATOM 1926 CB LYS A 123 10.244 -3.816 -3.263 1.00 0.00 C ATOM 1927 CG LYS A 123 10.438 -4.688 -4.491 1.00 0.00 C ATOM 1928 CD LYS A 123 10.312 -6.164 -4.152 1.00 0.00 C ATOM 1929 CE LYS A 123 9.796 -6.966 -5.336 1.00 0.00 C ATOM 1930 NZ LYS A 123 10.869 -7.235 -6.334 1.00 0.00 N ATOM 0 H LYS A 123 10.245 -2.632 -1.090 1.00 0.00 H new ATOM 0 HA LYS A 123 11.874 -4.704 -2.177 1.00 0.00 H new ATOM 0 HB2 LYS A 123 9.427 -4.221 -2.666 1.00 0.00 H new ATOM 0 HB3 LYS A 123 9.942 -2.818 -3.581 1.00 0.00 H new ATOM 0 HG2 LYS A 123 9.699 -4.423 -5.247 1.00 0.00 H new ATOM 0 HG3 LYS A 123 11.420 -4.496 -4.924 1.00 0.00 H new ATOM 0 HD2 LYS A 123 11.283 -6.552 -3.844 1.00 0.00 H new ATOM 0 HD3 LYS A 123 9.637 -6.288 -3.306 1.00 0.00 H new ATOM 0 HE2 LYS A 123 9.384 -7.911 -4.982 1.00 0.00 H new ATOM 0 HE3 LYS A 123 8.982 -6.423 -5.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 10.477 -7.784 -7.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 11.245 -6.333 -6.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 11.635 -7.776 -5.883 1.00 0.00 H new ATOM 1944 N GLN A 124 12.332 -1.628 -3.323 1.00 0.00 N ATOM 1945 CA GLN A 124 13.286 -0.768 -4.014 1.00 0.00 C ATOM 1946 C GLN A 124 14.719 -1.163 -3.674 1.00 0.00 C ATOM 1947 O GLN A 124 15.527 -1.428 -4.563 1.00 0.00 O ATOM 1948 CB GLN A 124 13.046 0.696 -3.644 1.00 0.00 C ATOM 1949 CG GLN A 124 12.043 1.395 -4.547 1.00 0.00 C ATOM 1950 CD GLN A 124 11.522 2.688 -3.950 1.00 0.00 C ATOM 1951 OE1 GLN A 124 10.761 2.676 -2.982 1.00 0.00 O ATOM 1952 NE2 GLN A 124 11.930 3.813 -4.526 1.00 0.00 N ATOM 0 H GLN A 124 11.483 -1.154 -3.016 1.00 0.00 H new ATOM 0 HA GLN A 124 13.139 -0.892 -5.087 1.00 0.00 H new ATOM 0 HB2 GLN A 124 12.693 0.749 -2.614 1.00 0.00 H new ATOM 0 HB3 GLN A 124 13.994 1.232 -3.684 1.00 0.00 H new ATOM 0 HG2 GLN A 124 12.511 1.606 -5.509 1.00 0.00 H new ATOM 0 HG3 GLN A 124 11.205 0.725 -4.740 1.00 0.00 H new ATOM 0 HE21 GLN A 124 12.561 3.776 -5.326 1.00 0.00 H new ATOM 0 HE22 GLN A 124 11.612 4.714 -4.168 1.00 0.00 H new