USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 808 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 29 TYR OH : rot -19:sc= 1.05 USER MOD Set 1.2: A 97 THR OG1 : rot 49:sc= 0.0283 USER MOD Set 2.1: A 72 SER OG : rot -170:sc= 0.018 USER MOD Set 2.2: A 74 ASN : amide:sc= -0.0364 X(o=-0.018,f=-0.018) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 0.419 K(o=0.42,f=-6.9!) USER MOD Single : A 39 ASN : amide:sc=-0.00919 X(o=-0.0092,f=-0.17) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0.069 USER MOD Single : A 53 SER OG : rot 180:sc= 0.642 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 CYS SG : rot 50:sc= 0.518 USER MOD Single : A 58 GLN : amide:sc= -0.901 K(o=-0.9,f=-0.12) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.736 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 87:sc= 1.03 USER MOD Single : A 80 ASN : amide:sc= -4.31! C(o=-4.3!,f=-4.9!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 121:sc= -1.53 USER MOD Single : A 87 CYS SG : rot 77:sc= -0.0788 USER MOD Single : A 89 HIS : no HD1:sc= -0.644 K(o=-0.64,f=-5.4!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0509) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 HIS : no HD1:sc= -1.4 K(o=-1.4,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 177 N ALA A 13 -4.078 2.815 3.353 1.00 64.52 N ATOM 178 CA ALA A 13 -3.298 1.899 4.176 1.00 21.11 C ATOM 179 C ALA A 13 -4.166 0.765 4.709 1.00 71.22 C ATOM 180 O ALA A 13 -3.724 -0.381 4.794 1.00 4.24 O ATOM 181 CB ALA A 13 -2.644 2.651 5.326 1.00 21.43 C ATOM 0 HA ALA A 13 -2.519 1.462 3.552 1.00 21.11 H new ATOM 0 HB1 ALA A 13 -2.065 1.955 5.933 1.00 21.43 H new ATOM 0 HB2 ALA A 13 -1.984 3.422 4.928 1.00 21.43 H new ATOM 0 HB3 ALA A 13 -3.414 3.115 5.942 1.00 21.43 H new ATOM 187 N ASP A 14 -5.403 1.090 5.066 1.00 13.11 N ATOM 188 CA ASP A 14 -6.335 0.098 5.590 1.00 24.53 C ATOM 189 C ASP A 14 -6.472 -1.079 4.630 1.00 70.45 C ATOM 190 O ASP A 14 -6.794 -2.194 5.041 1.00 44.11 O ATOM 191 CB ASP A 14 -7.705 0.733 5.837 1.00 24.44 C ATOM 192 CG ASP A 14 -8.279 0.360 7.191 1.00 61.14 C ATOM 193 OD1 ASP A 14 -8.457 -0.849 7.446 1.00 42.34 O ATOM 194 OD2 ASP A 14 -8.551 1.277 7.993 1.00 50.10 O ATOM 0 H ASP A 14 -5.784 2.034 5.002 1.00 13.11 H new ATOM 0 HA ASP A 14 -5.939 -0.272 6.536 1.00 24.53 H new ATOM 0 HB2 ASP A 14 -7.618 1.817 5.769 1.00 24.44 H new ATOM 0 HB3 ASP A 14 -8.395 0.419 5.054 1.00 24.44 H new ATOM 199 N GLU A 15 -6.228 -0.823 3.348 1.00 23.03 N ATOM 200 CA GLU A 15 -6.326 -1.862 2.330 1.00 52.41 C ATOM 201 C GLU A 15 -4.975 -2.535 2.107 1.00 35.13 C ATOM 202 O GLU A 15 -4.895 -3.755 1.954 1.00 11.23 O ATOM 203 CB GLU A 15 -6.835 -1.270 1.013 1.00 14.55 C ATOM 204 CG GLU A 15 -8.276 -1.636 0.699 1.00 2.22 C ATOM 205 CD GLU A 15 -9.260 -1.017 1.672 1.00 14.31 C ATOM 206 OE1 GLU A 15 -9.700 0.126 1.425 1.00 61.24 O ATOM 207 OE2 GLU A 15 -9.592 -1.675 2.680 1.00 1.43 O ATOM 0 H GLU A 15 -5.961 0.094 2.991 1.00 23.03 H new ATOM 0 HA GLU A 15 -7.034 -2.613 2.681 1.00 52.41 H new ATOM 0 HB2 GLU A 15 -6.745 -0.184 1.053 1.00 14.55 H new ATOM 0 HB3 GLU A 15 -6.196 -1.613 0.199 1.00 14.55 H new ATOM 0 HG2 GLU A 15 -8.517 -1.310 -0.313 1.00 2.22 H new ATOM 0 HG3 GLU A 15 -8.384 -2.720 0.719 1.00 2.22 H new ATOM 214 N LEU A 16 -3.916 -1.734 2.091 1.00 64.32 N ATOM 215 CA LEU A 16 -2.568 -2.252 1.887 1.00 41.12 C ATOM 216 C LEU A 16 -2.162 -3.179 3.028 1.00 75.11 C ATOM 217 O LEU A 16 -1.502 -4.194 2.810 1.00 75.23 O ATOM 218 CB LEU A 16 -1.569 -1.098 1.773 1.00 21.00 C ATOM 219 CG LEU A 16 -0.113 -1.493 1.526 1.00 63.41 C ATOM 220 CD1 LEU A 16 0.587 -1.804 2.840 1.00 74.33 C ATOM 221 CD2 LEU A 16 -0.036 -2.686 0.583 1.00 3.25 C ATOM 0 H LEU A 16 -3.965 -0.723 2.217 1.00 64.32 H new ATOM 0 HA LEU A 16 -2.562 -2.824 0.959 1.00 41.12 H new ATOM 0 HB2 LEU A 16 -1.890 -0.445 0.962 1.00 21.00 H new ATOM 0 HB3 LEU A 16 -1.615 -0.512 2.691 1.00 21.00 H new ATOM 0 HG LEU A 16 0.397 -0.651 1.057 1.00 63.41 H new ATOM 0 HD11 LEU A 16 1.622 -2.083 2.644 1.00 74.33 H new ATOM 0 HD12 LEU A 16 0.564 -0.923 3.482 1.00 74.33 H new ATOM 0 HD13 LEU A 16 0.077 -2.629 3.338 1.00 74.33 H new ATOM 0 HD21 LEU A 16 1.008 -2.953 0.419 1.00 3.25 H new ATOM 0 HD22 LEU A 16 -0.562 -3.533 1.024 1.00 3.25 H new ATOM 0 HD23 LEU A 16 -0.499 -2.427 -0.369 1.00 3.25 H new ATOM 233 N GLU A 17 -2.564 -2.824 4.244 1.00 3.43 N ATOM 234 CA GLU A 17 -2.243 -3.625 5.419 1.00 65.52 C ATOM 235 C GLU A 17 -3.210 -4.797 5.559 1.00 12.42 C ATOM 236 O GLU A 17 -3.070 -5.629 6.456 1.00 5.44 O ATOM 237 CB GLU A 17 -2.285 -2.761 6.681 1.00 24.44 C ATOM 238 CG GLU A 17 -1.166 -1.736 6.755 1.00 65.33 C ATOM 239 CD GLU A 17 -0.112 -2.096 7.784 1.00 33.21 C ATOM 240 OE1 GLU A 17 0.809 -2.868 7.444 1.00 35.11 O ATOM 241 OE2 GLU A 17 -0.208 -1.606 8.929 1.00 12.32 O ATOM 0 H GLU A 17 -3.113 -1.987 4.441 1.00 3.43 H new ATOM 0 HA GLU A 17 -1.235 -4.021 5.293 1.00 65.52 H new ATOM 0 HB2 GLU A 17 -3.243 -2.244 6.725 1.00 24.44 H new ATOM 0 HB3 GLU A 17 -2.232 -3.408 7.556 1.00 24.44 H new ATOM 0 HG2 GLU A 17 -0.696 -1.645 5.776 1.00 65.33 H new ATOM 0 HG3 GLU A 17 -1.587 -0.761 6.998 1.00 65.33 H new ATOM 248 N ARG A 18 -4.192 -4.855 4.664 1.00 31.44 N ATOM 249 CA ARG A 18 -5.184 -5.924 4.689 1.00 51.45 C ATOM 250 C ARG A 18 -4.819 -7.027 3.700 1.00 54.00 C ATOM 251 O ARG A 18 -5.265 -8.167 3.834 1.00 23.42 O ATOM 252 CB ARG A 18 -6.571 -5.367 4.360 1.00 31.32 C ATOM 253 CG ARG A 18 -7.672 -6.415 4.400 1.00 44.34 C ATOM 254 CD ARG A 18 -9.038 -5.797 4.147 1.00 34.14 C ATOM 255 NE ARG A 18 -9.633 -5.267 5.371 1.00 73.21 N ATOM 256 CZ ARG A 18 -10.878 -4.809 5.444 1.00 61.01 C ATOM 257 NH1 ARG A 18 -11.654 -4.816 4.370 1.00 75.11 N ATOM 258 NH2 ARG A 18 -11.348 -4.343 6.594 1.00 14.30 N ATOM 0 H ARG A 18 -4.322 -4.176 3.914 1.00 31.44 H new ATOM 0 HA ARG A 18 -5.199 -6.350 5.692 1.00 51.45 H new ATOM 0 HB2 ARG A 18 -6.811 -4.572 5.066 1.00 31.32 H new ATOM 0 HB3 ARG A 18 -6.546 -4.915 3.368 1.00 31.32 H new ATOM 0 HG2 ARG A 18 -7.474 -7.181 3.651 1.00 44.34 H new ATOM 0 HG3 ARG A 18 -7.670 -6.910 5.371 1.00 44.34 H new ATOM 0 HD2 ARG A 18 -8.944 -4.996 3.413 1.00 34.14 H new ATOM 0 HD3 ARG A 18 -9.701 -6.547 3.717 1.00 34.14 H new ATOM 0 HE ARG A 18 -9.062 -5.247 6.216 1.00 73.21 H new ATOM 0 HH11 ARG A 18 -11.296 -5.174 3.484 1.00 75.11 H new ATOM 0 HH12 ARG A 18 -12.609 -4.464 4.429 1.00 75.11 H new ATOM 0 HH21 ARG A 18 -10.753 -4.336 7.423 1.00 14.30 H new ATOM 0 HH22 ARG A 18 -12.304 -3.992 6.649 1.00 14.30 H new ATOM 272 N ILE A 19 -4.008 -6.680 2.708 1.00 44.55 N ATOM 273 CA ILE A 19 -3.582 -7.641 1.696 1.00 12.32 C ATOM 274 C ILE A 19 -2.442 -8.512 2.211 1.00 34.35 C ATOM 275 O ILE A 19 -1.444 -8.007 2.725 1.00 64.13 O ATOM 276 CB ILE A 19 -3.132 -6.936 0.404 1.00 43.40 C ATOM 277 CG1 ILE A 19 -4.269 -6.084 -0.163 1.00 11.04 C ATOM 278 CG2 ILE A 19 -2.665 -7.957 -0.622 1.00 75.13 C ATOM 279 CD1 ILE A 19 -3.808 -4.760 -0.731 1.00 40.42 C ATOM 0 H ILE A 19 -3.632 -5.740 2.582 1.00 44.55 H new ATOM 0 HA ILE A 19 -4.445 -8.270 1.475 1.00 12.32 H new ATOM 0 HB ILE A 19 -2.295 -6.279 0.640 1.00 43.40 H new ATOM 0 HG12 ILE A 19 -4.779 -6.647 -0.944 1.00 11.04 H new ATOM 0 HG13 ILE A 19 -5.000 -5.898 0.624 1.00 11.04 H new ATOM 0 HG21 ILE A 19 -2.350 -7.443 -1.530 1.00 75.13 H new ATOM 0 HG22 ILE A 19 -1.827 -8.523 -0.216 1.00 75.13 H new ATOM 0 HG23 ILE A 19 -3.483 -8.638 -0.856 1.00 75.13 H new ATOM 0 HD11 ILE A 19 -4.667 -4.210 -1.115 1.00 40.42 H new ATOM 0 HD12 ILE A 19 -3.324 -4.177 0.052 1.00 40.42 H new ATOM 0 HD13 ILE A 19 -3.100 -4.938 -1.541 1.00 40.42 H new ATOM 291 N ARG A 20 -2.597 -9.824 2.069 1.00 32.15 N ATOM 292 CA ARG A 20 -1.580 -10.767 2.520 1.00 71.14 C ATOM 293 C ARG A 20 -0.730 -11.249 1.349 1.00 40.24 C ATOM 294 O ARG A 20 -1.250 -11.565 0.277 1.00 5.00 O ATOM 295 CB ARG A 20 -2.234 -11.963 3.215 1.00 54.25 C ATOM 296 CG ARG A 20 -1.445 -12.483 4.404 1.00 44.12 C ATOM 297 CD ARG A 20 -0.588 -13.680 4.023 1.00 2.44 C ATOM 298 NE ARG A 20 0.805 -13.305 3.791 1.00 13.05 N ATOM 299 CZ ARG A 20 1.838 -14.059 4.149 1.00 72.24 C ATOM 300 NH1 ARG A 20 1.637 -15.224 4.749 1.00 42.21 N ATOM 301 NH2 ARG A 20 3.076 -13.650 3.903 1.00 11.42 N ATOM 0 H ARG A 20 -3.417 -10.258 1.645 1.00 32.15 H new ATOM 0 HA ARG A 20 -0.933 -10.253 3.230 1.00 71.14 H new ATOM 0 HB2 ARG A 20 -3.232 -11.677 3.549 1.00 54.25 H new ATOM 0 HB3 ARG A 20 -2.358 -12.769 2.492 1.00 54.25 H new ATOM 0 HG2 ARG A 20 -0.809 -11.689 4.796 1.00 44.12 H new ATOM 0 HG3 ARG A 20 -2.131 -12.765 5.202 1.00 44.12 H new ATOM 0 HD2 ARG A 20 -0.635 -14.426 4.816 1.00 2.44 H new ATOM 0 HD3 ARG A 20 -0.993 -14.144 3.124 1.00 2.44 H new ATOM 0 HE ARG A 20 0.994 -12.416 3.329 1.00 13.05 H new ATOM 0 HH11 ARG A 20 0.687 -15.544 4.937 1.00 42.21 H new ATOM 0 HH12 ARG A 20 2.433 -15.801 5.023 1.00 42.21 H new ATOM 0 HH21 ARG A 20 3.235 -12.756 3.439 1.00 11.42 H new ATOM 0 HH22 ARG A 20 3.869 -14.230 4.178 1.00 11.42 H new ATOM 315 N LEU A 21 0.581 -11.304 1.559 1.00 15.51 N ATOM 316 CA LEU A 21 1.505 -11.747 0.521 1.00 73.10 C ATOM 317 C LEU A 21 1.201 -13.181 0.098 1.00 43.14 C ATOM 318 O LEU A 21 1.543 -13.597 -1.010 1.00 23.30 O ATOM 319 CB LEU A 21 2.949 -11.645 1.018 1.00 55.11 C ATOM 320 CG LEU A 21 3.333 -10.331 1.698 1.00 50.45 C ATOM 321 CD1 LEU A 21 4.231 -10.592 2.896 1.00 12.15 C ATOM 322 CD2 LEU A 21 4.019 -9.400 0.707 1.00 23.42 C ATOM 0 H LEU A 21 1.028 -11.047 2.439 1.00 15.51 H new ATOM 0 HA LEU A 21 1.379 -11.097 -0.345 1.00 73.10 H new ATOM 0 HB2 LEU A 21 3.129 -12.460 1.719 1.00 55.11 H new ATOM 0 HB3 LEU A 21 3.616 -11.801 0.170 1.00 55.11 H new ATOM 0 HG LEU A 21 2.423 -9.847 2.052 1.00 50.45 H new ATOM 0 HD11 LEU A 21 4.494 -9.645 3.367 1.00 12.15 H new ATOM 0 HD12 LEU A 21 3.705 -11.221 3.614 1.00 12.15 H new ATOM 0 HD13 LEU A 21 5.139 -11.098 2.567 1.00 12.15 H new ATOM 0 HD21 LEU A 21 4.286 -8.469 1.207 1.00 23.42 H new ATOM 0 HD22 LEU A 21 4.921 -9.877 0.324 1.00 23.42 H new ATOM 0 HD23 LEU A 21 3.342 -9.186 -0.120 1.00 23.42 H new ATOM 334 N ARG A 22 0.555 -13.929 0.984 1.00 34.43 N ATOM 335 CA ARG A 22 0.203 -15.317 0.702 1.00 45.42 C ATOM 336 C ARG A 22 -1.304 -15.469 0.521 1.00 30.14 C ATOM 337 O ARG A 22 -2.095 -14.635 0.962 1.00 14.22 O ATOM 338 CB ARG A 22 0.687 -16.227 1.830 1.00 21.53 C ATOM 339 CG ARG A 22 2.191 -16.448 1.833 1.00 61.15 C ATOM 340 CD ARG A 22 2.586 -17.584 2.764 1.00 21.20 C ATOM 341 NE ARG A 22 2.909 -18.805 2.030 1.00 22.35 N ATOM 342 CZ ARG A 22 2.935 -20.011 2.587 1.00 11.15 C ATOM 343 NH1 ARG A 22 2.656 -20.157 3.875 1.00 4.03 N ATOM 344 NH2 ARG A 22 3.238 -21.075 1.854 1.00 11.34 N ATOM 0 H ARG A 22 0.264 -13.599 1.904 1.00 34.43 H new ATOM 0 HA ARG A 22 0.694 -15.609 -0.226 1.00 45.42 H new ATOM 0 HB2 ARG A 22 0.390 -15.796 2.786 1.00 21.53 H new ATOM 0 HB3 ARG A 22 0.187 -17.192 1.747 1.00 21.53 H new ATOM 0 HG2 ARG A 22 2.529 -16.671 0.821 1.00 61.15 H new ATOM 0 HG3 ARG A 22 2.694 -15.532 2.142 1.00 61.15 H new ATOM 0 HD2 ARG A 22 3.446 -17.281 3.361 1.00 21.20 H new ATOM 0 HD3 ARG A 22 1.770 -17.784 3.459 1.00 21.20 H new ATOM 0 HE ARG A 22 3.126 -18.728 1.036 1.00 22.35 H new ATOM 0 HH11 ARG A 22 2.420 -19.342 4.441 1.00 4.03 H new ATOM 0 HH12 ARG A 22 2.677 -21.084 4.299 1.00 4.03 H new ATOM 0 HH21 ARG A 22 3.451 -20.967 0.862 1.00 11.34 H new ATOM 0 HH22 ARG A 22 3.258 -22.001 2.282 1.00 11.34 H new ATOM 358 N PRO A 23 -1.713 -16.559 -0.144 1.00 74.43 N ATOM 359 CA PRO A 23 -3.128 -16.848 -0.398 1.00 41.04 C ATOM 360 C PRO A 23 -3.882 -17.221 0.874 1.00 64.12 C ATOM 361 O PRO A 23 -4.933 -16.657 1.172 1.00 1.12 O ATOM 362 CB PRO A 23 -3.081 -18.038 -1.360 1.00 43.41 C ATOM 363 CG PRO A 23 -1.775 -18.699 -1.081 1.00 21.01 C ATOM 364 CD PRO A 23 -0.826 -17.597 -0.698 1.00 3.41 C ATOM 0 HA PRO A 23 -3.655 -15.981 -0.796 1.00 41.04 H new ATOM 0 HB2 PRO A 23 -3.914 -18.719 -1.188 1.00 43.41 H new ATOM 0 HB3 PRO A 23 -3.146 -17.711 -2.398 1.00 43.41 H new ATOM 0 HG2 PRO A 23 -1.871 -19.428 -0.277 1.00 21.01 H new ATOM 0 HG3 PRO A 23 -1.415 -19.237 -1.958 1.00 21.01 H new ATOM 0 HD2 PRO A 23 -0.094 -17.934 0.036 1.00 3.41 H new ATOM 0 HD3 PRO A 23 -0.268 -17.230 -1.559 1.00 3.41 H new ATOM 372 N GLY A 24 -3.336 -18.176 1.621 1.00 1.13 N ATOM 373 CA GLY A 24 -3.970 -18.607 2.853 1.00 24.31 C ATOM 374 C GLY A 24 -3.159 -18.243 4.082 1.00 72.44 C ATOM 375 O GLY A 24 -3.101 -19.006 5.044 1.00 61.41 O ATOM 0 H GLY A 24 -2.466 -18.659 1.395 1.00 1.13 H new ATOM 0 HA2 GLY A 24 -4.959 -18.154 2.927 1.00 24.31 H new ATOM 0 HA3 GLY A 24 -4.116 -19.687 2.824 1.00 24.31 H new ATOM 379 N GLY A 25 -2.529 -17.073 4.048 1.00 52.34 N ATOM 380 CA GLY A 25 -1.725 -16.630 5.172 1.00 72.34 C ATOM 381 C GLY A 25 -2.363 -15.480 5.924 1.00 14.14 C ATOM 382 O GLY A 25 -3.538 -15.170 5.722 1.00 41.04 O ATOM 0 H GLY A 25 -2.561 -16.424 3.262 1.00 52.34 H new ATOM 0 HA2 GLY A 25 -1.570 -17.465 5.855 1.00 72.34 H new ATOM 0 HA3 GLY A 25 -0.742 -16.325 4.813 1.00 72.34 H new ATOM 386 N LYS A 26 -1.590 -14.845 6.799 1.00 72.33 N ATOM 387 CA LYS A 26 -2.086 -13.723 7.586 1.00 22.20 C ATOM 388 C LYS A 26 -1.040 -12.615 7.674 1.00 73.23 C ATOM 389 O LYS A 26 -1.226 -11.625 8.381 1.00 33.44 O ATOM 390 CB LYS A 26 -2.468 -14.189 8.992 1.00 31.52 C ATOM 391 CG LYS A 26 -3.767 -13.587 9.501 1.00 3.14 C ATOM 392 CD LYS A 26 -4.975 -14.217 8.828 1.00 43.42 C ATOM 393 CE LYS A 26 -6.199 -14.178 9.729 1.00 71.15 C ATOM 394 NZ LYS A 26 -7.039 -15.398 9.576 1.00 53.43 N ATOM 0 H LYS A 26 -0.616 -15.089 6.981 1.00 72.33 H new ATOM 0 HA LYS A 26 -2.970 -13.326 7.088 1.00 22.20 H new ATOM 0 HB2 LYS A 26 -2.556 -15.275 8.994 1.00 31.52 H new ATOM 0 HB3 LYS A 26 -1.664 -13.933 9.682 1.00 31.52 H new ATOM 0 HG2 LYS A 26 -3.836 -13.727 10.580 1.00 3.14 H new ATOM 0 HG3 LYS A 26 -3.767 -12.512 9.319 1.00 3.14 H new ATOM 0 HD2 LYS A 26 -5.190 -13.691 7.898 1.00 43.42 H new ATOM 0 HD3 LYS A 26 -4.748 -15.250 8.565 1.00 43.42 H new ATOM 0 HE2 LYS A 26 -5.883 -14.083 10.768 1.00 71.15 H new ATOM 0 HE3 LYS A 26 -6.794 -13.295 9.495 1.00 71.15 H new ATOM 0 HZ1 LYS A 26 -7.863 -15.333 10.207 1.00 53.43 H new ATOM 0 HZ2 LYS A 26 -7.362 -15.476 8.591 1.00 53.43 H new ATOM 0 HZ3 LYS A 26 -6.479 -16.238 9.824 1.00 53.43 H new ATOM 408 N LYS A 27 0.059 -12.788 6.948 1.00 22.03 N ATOM 409 CA LYS A 27 1.134 -11.802 6.940 1.00 13.02 C ATOM 410 C LYS A 27 0.890 -10.740 5.873 1.00 65.43 C ATOM 411 O LYS A 27 1.312 -10.891 4.725 1.00 53.50 O ATOM 412 CB LYS A 27 2.480 -12.487 6.696 1.00 23.41 C ATOM 413 CG LYS A 27 3.493 -12.250 7.803 1.00 62.13 C ATOM 414 CD LYS A 27 4.862 -12.799 7.433 1.00 75.50 C ATOM 415 CE LYS A 27 5.851 -11.681 7.143 1.00 24.20 C ATOM 416 NZ LYS A 27 7.261 -12.158 7.207 1.00 70.42 N ATOM 0 H LYS A 27 0.229 -13.602 6.357 1.00 22.03 H new ATOM 0 HA LYS A 27 1.154 -11.314 7.915 1.00 13.02 H new ATOM 0 HB2 LYS A 27 2.318 -13.559 6.587 1.00 23.41 H new ATOM 0 HB3 LYS A 27 2.894 -12.130 5.753 1.00 23.41 H new ATOM 0 HG2 LYS A 27 3.571 -11.181 8.004 1.00 62.13 H new ATOM 0 HG3 LYS A 27 3.147 -12.723 8.722 1.00 62.13 H new ATOM 0 HD2 LYS A 27 5.239 -13.418 8.247 1.00 75.50 H new ATOM 0 HD3 LYS A 27 4.773 -13.443 6.558 1.00 75.50 H new ATOM 0 HE2 LYS A 27 5.652 -11.267 6.154 1.00 24.20 H new ATOM 0 HE3 LYS A 27 5.708 -10.874 7.861 1.00 24.20 H new ATOM 0 HZ1 LYS A 27 7.905 -11.367 7.004 1.00 70.42 H new ATOM 0 HZ2 LYS A 27 7.459 -12.530 8.158 1.00 70.42 H new ATOM 0 HZ3 LYS A 27 7.405 -12.911 6.504 1.00 70.42 H new ATOM 430 N LYS A 28 0.211 -9.665 6.258 1.00 73.31 N ATOM 431 CA LYS A 28 -0.086 -8.577 5.336 1.00 52.33 C ATOM 432 C LYS A 28 1.174 -7.780 5.010 1.00 73.35 C ATOM 433 O LYS A 28 2.239 -8.027 5.576 1.00 2.32 O ATOM 434 CB LYS A 28 -1.148 -7.650 5.933 1.00 42.25 C ATOM 435 CG LYS A 28 -2.374 -8.383 6.448 1.00 11.40 C ATOM 436 CD LYS A 28 -2.559 -8.179 7.942 1.00 2.21 C ATOM 437 CE LYS A 28 -3.409 -9.282 8.555 1.00 3.43 C ATOM 438 NZ LYS A 28 -4.863 -9.044 8.344 1.00 52.31 N ATOM 0 H LYS A 28 -0.144 -9.524 7.204 1.00 73.31 H new ATOM 0 HA LYS A 28 -0.469 -9.012 4.413 1.00 52.33 H new ATOM 0 HB2 LYS A 28 -0.704 -7.082 6.751 1.00 42.25 H new ATOM 0 HB3 LYS A 28 -1.457 -6.930 5.175 1.00 42.25 H new ATOM 0 HG2 LYS A 28 -3.259 -8.029 5.919 1.00 11.40 H new ATOM 0 HG3 LYS A 28 -2.279 -9.448 6.234 1.00 11.40 H new ATOM 0 HD2 LYS A 28 -1.585 -8.155 8.430 1.00 2.21 H new ATOM 0 HD3 LYS A 28 -3.030 -7.213 8.123 1.00 2.21 H new ATOM 0 HE2 LYS A 28 -3.131 -10.241 8.117 1.00 3.43 H new ATOM 0 HE3 LYS A 28 -3.203 -9.348 9.623 1.00 3.43 H new ATOM 0 HZ1 LYS A 28 -5.408 -9.817 8.776 1.00 52.31 H new ATOM 0 HZ2 LYS A 28 -5.134 -8.141 8.784 1.00 52.31 H new ATOM 0 HZ3 LYS A 28 -5.064 -9.007 7.324 1.00 52.31 H new ATOM 452 N TYR A 29 1.044 -6.825 4.096 1.00 3.40 N ATOM 453 CA TYR A 29 2.173 -5.993 3.695 1.00 2.34 C ATOM 454 C TYR A 29 2.561 -5.026 4.810 1.00 74.20 C ATOM 455 O TYR A 29 1.728 -4.643 5.632 1.00 52.12 O ATOM 456 CB TYR A 29 1.832 -5.213 2.425 1.00 42.05 C ATOM 457 CG TYR A 29 1.961 -6.031 1.159 1.00 23.11 C ATOM 458 CD1 TYR A 29 0.941 -6.881 0.750 1.00 14.14 C ATOM 459 CD2 TYR A 29 3.104 -5.953 0.371 1.00 35.31 C ATOM 460 CE1 TYR A 29 1.055 -7.631 -0.405 1.00 14.15 C ATOM 461 CE2 TYR A 29 3.226 -6.698 -0.786 1.00 55.30 C ATOM 462 CZ TYR A 29 2.198 -7.536 -1.169 1.00 3.35 C ATOM 463 OH TYR A 29 2.316 -8.280 -2.321 1.00 14.31 O ATOM 0 H TYR A 29 0.169 -6.608 3.619 1.00 3.40 H new ATOM 0 HA TYR A 29 3.021 -6.648 3.495 1.00 2.34 H new ATOM 0 HB2 TYR A 29 0.812 -4.837 2.502 1.00 42.05 H new ATOM 0 HB3 TYR A 29 2.487 -4.345 2.355 1.00 42.05 H new ATOM 0 HD1 TYR A 29 0.043 -6.957 1.345 1.00 14.14 H new ATOM 0 HD2 TYR A 29 3.910 -5.299 0.669 1.00 35.31 H new ATOM 0 HE1 TYR A 29 0.253 -8.288 -0.707 1.00 14.15 H new ATOM 0 HE2 TYR A 29 4.120 -6.625 -1.387 1.00 55.30 H new ATOM 0 HH TYR A 29 1.676 -9.022 -2.298 1.00 14.31 H new ATOM 473 N ARG A 30 3.831 -4.636 4.830 1.00 34.31 N ATOM 474 CA ARG A 30 4.330 -3.715 5.844 1.00 52.13 C ATOM 475 C ARG A 30 5.266 -2.681 5.225 1.00 63.03 C ATOM 476 O ARG A 30 5.781 -2.876 4.123 1.00 24.11 O ATOM 477 CB ARG A 30 5.060 -4.483 6.948 1.00 54.15 C ATOM 478 CG ARG A 30 4.502 -4.228 8.338 1.00 45.10 C ATOM 479 CD ARG A 30 4.627 -5.458 9.223 1.00 43.25 C ATOM 480 NE ARG A 30 3.361 -5.803 9.863 1.00 44.01 N ATOM 481 CZ ARG A 30 3.158 -6.935 10.528 1.00 71.23 C ATOM 482 NH1 ARG A 30 4.133 -7.826 10.639 1.00 13.20 N ATOM 483 NH2 ARG A 30 1.977 -7.177 11.083 1.00 61.01 N ATOM 0 H ARG A 30 4.533 -4.943 4.156 1.00 34.31 H new ATOM 0 HA ARG A 30 3.476 -3.195 6.277 1.00 52.13 H new ATOM 0 HB2 ARG A 30 5.005 -5.550 6.734 1.00 54.15 H new ATOM 0 HB3 ARG A 30 6.115 -4.209 6.933 1.00 54.15 H new ATOM 0 HG2 ARG A 30 5.032 -3.393 8.796 1.00 45.10 H new ATOM 0 HG3 ARG A 30 3.454 -3.937 8.263 1.00 45.10 H new ATOM 0 HD2 ARG A 30 4.972 -6.301 8.625 1.00 43.25 H new ATOM 0 HD3 ARG A 30 5.383 -5.279 9.988 1.00 43.25 H new ATOM 0 HE ARG A 30 2.590 -5.138 9.796 1.00 44.01 H new ATOM 0 HH11 ARG A 30 5.042 -7.643 10.213 1.00 13.20 H new ATOM 0 HH12 ARG A 30 3.975 -8.694 11.150 1.00 13.20 H new ATOM 0 HH21 ARG A 30 1.224 -6.494 10.999 1.00 61.01 H new ATOM 0 HH22 ARG A 30 1.822 -8.046 11.593 1.00 61.01 H new ATOM 497 N LEU A 31 5.482 -1.582 5.939 1.00 20.13 N ATOM 498 CA LEU A 31 6.356 -0.517 5.459 1.00 31.24 C ATOM 499 C LEU A 31 7.653 -1.089 4.897 1.00 63.21 C ATOM 500 O LEU A 31 8.235 -0.535 3.964 1.00 62.33 O ATOM 501 CB LEU A 31 6.667 0.462 6.593 1.00 54.51 C ATOM 502 CG LEU A 31 5.682 1.619 6.769 1.00 2.12 C ATOM 503 CD1 LEU A 31 5.573 2.008 8.236 1.00 41.24 C ATOM 504 CD2 LEU A 31 6.105 2.814 5.928 1.00 3.11 C ATOM 0 H LEU A 31 5.064 -1.405 6.852 1.00 20.13 H new ATOM 0 HA LEU A 31 5.838 0.013 4.660 1.00 31.24 H new ATOM 0 HB2 LEU A 31 6.710 -0.097 7.528 1.00 54.51 H new ATOM 0 HB3 LEU A 31 7.660 0.879 6.424 1.00 54.51 H new ATOM 0 HG LEU A 31 4.701 1.290 6.427 1.00 2.12 H new ATOM 0 HD11 LEU A 31 4.868 2.833 8.342 1.00 41.24 H new ATOM 0 HD12 LEU A 31 5.222 1.153 8.814 1.00 41.24 H new ATOM 0 HD13 LEU A 31 6.551 2.317 8.604 1.00 41.24 H new ATOM 0 HD21 LEU A 31 5.392 3.627 6.066 1.00 3.11 H new ATOM 0 HD22 LEU A 31 7.097 3.144 6.238 1.00 3.11 H new ATOM 0 HD23 LEU A 31 6.130 2.528 4.876 1.00 3.11 H new ATOM 516 N LYS A 32 8.101 -2.202 5.469 1.00 51.12 N ATOM 517 CA LYS A 32 9.327 -2.852 5.023 1.00 73.22 C ATOM 518 C LYS A 32 9.227 -3.253 3.554 1.00 21.44 C ATOM 519 O LYS A 32 10.153 -3.027 2.775 1.00 44.11 O ATOM 520 CB LYS A 32 9.615 -4.087 5.881 1.00 71.13 C ATOM 521 CG LYS A 32 9.570 -3.814 7.374 1.00 43.04 C ATOM 522 CD LYS A 32 10.071 -5.004 8.174 1.00 63.34 C ATOM 523 CE LYS A 32 11.591 -5.065 8.190 1.00 61.11 C ATOM 524 NZ LYS A 32 12.115 -5.506 9.513 1.00 14.30 N ATOM 0 H LYS A 32 7.632 -2.673 6.243 1.00 51.12 H new ATOM 0 HA LYS A 32 10.146 -2.141 5.133 1.00 73.22 H new ATOM 0 HB2 LYS A 32 8.889 -4.864 5.640 1.00 71.13 H new ATOM 0 HB3 LYS A 32 10.599 -4.478 5.621 1.00 71.13 H new ATOM 0 HG2 LYS A 32 10.178 -2.939 7.603 1.00 43.04 H new ATOM 0 HG3 LYS A 32 8.548 -3.579 7.671 1.00 43.04 H new ATOM 0 HD2 LYS A 32 9.698 -4.940 9.196 1.00 63.34 H new ATOM 0 HD3 LYS A 32 9.673 -5.924 7.747 1.00 63.34 H new ATOM 0 HE2 LYS A 32 11.935 -5.751 7.416 1.00 61.11 H new ATOM 0 HE3 LYS A 32 11.996 -4.083 7.948 1.00 61.11 H new ATOM 0 HZ1 LYS A 32 13.154 -5.535 9.483 1.00 14.30 H new ATOM 0 HZ2 LYS A 32 11.808 -4.837 10.248 1.00 14.30 H new ATOM 0 HZ3 LYS A 32 11.749 -6.454 9.733 1.00 14.30 H new ATOM 538 N HIS A 33 8.098 -3.848 3.183 1.00 70.33 N ATOM 539 CA HIS A 33 7.876 -4.278 1.807 1.00 73.44 C ATOM 540 C HIS A 33 7.824 -3.078 0.865 1.00 12.03 C ATOM 541 O HIS A 33 8.400 -3.184 -0.217 1.00 42.35 O ATOM 542 CB HIS A 33 6.578 -5.079 1.702 1.00 10.43 C ATOM 543 CG HIS A 33 6.562 -6.307 2.560 1.00 51.22 C ATOM 544 ND1 HIS A 33 5.781 -6.426 3.690 1.00 50.32 N ATOM 545 CD2 HIS A 33 7.236 -7.475 2.447 1.00 50.22 C ATOM 546 CE1 HIS A 33 5.976 -7.613 4.235 1.00 24.23 C ATOM 547 NE2 HIS A 33 6.855 -8.270 3.498 1.00 32.24 N ATOM 0 H HIS A 33 7.322 -4.043 3.816 1.00 70.33 H new ATOM 0 HA HIS A 33 8.711 -4.914 1.513 1.00 73.44 H new ATOM 0 HB2 HIS A 33 5.742 -4.439 1.982 1.00 10.43 H new ATOM 0 HB3 HIS A 33 6.423 -5.369 0.663 1.00 10.43 H new ATOM 0 HD2 HIS A 33 7.943 -7.733 1.673 1.00 50.22 H new ATOM 0 HE1 HIS A 33 5.499 -7.984 5.130 1.00 24.23 H new ATOM 0 HE2 HIS A 33 7.195 -9.214 3.681 1.00 32.24 H new ATOM 555 N ILE A 34 7.172 -1.981 1.235 1.00 60.14 N ATOM 556 CA ILE A 34 7.096 -0.810 0.369 1.00 43.01 C ATOM 557 C ILE A 34 8.484 -0.243 0.088 1.00 72.14 C ATOM 558 O ILE A 34 8.783 0.166 -1.034 1.00 24.34 O ATOM 559 CB ILE A 34 6.219 0.293 0.990 1.00 5.44 C ATOM 560 CG1 ILE A 34 4.886 -0.290 1.462 1.00 52.33 C ATOM 561 CG2 ILE A 34 5.988 1.413 -0.013 1.00 2.31 C ATOM 562 CD1 ILE A 34 3.910 0.755 1.955 1.00 3.15 C ATOM 0 H ILE A 34 6.689 -1.878 2.128 1.00 60.14 H new ATOM 0 HA ILE A 34 6.644 -1.138 -0.567 1.00 43.01 H new ATOM 0 HB ILE A 34 6.739 0.707 1.854 1.00 5.44 H new ATOM 0 HG12 ILE A 34 4.430 -0.843 0.641 1.00 52.33 H new ATOM 0 HG13 ILE A 34 5.075 -1.005 2.262 1.00 52.33 H new ATOM 0 HG21 ILE A 34 5.366 2.185 0.441 1.00 2.31 H new ATOM 0 HG22 ILE A 34 6.946 1.843 -0.305 1.00 2.31 H new ATOM 0 HG23 ILE A 34 5.486 1.014 -0.894 1.00 2.31 H new ATOM 0 HD11 ILE A 34 2.987 0.270 2.273 1.00 3.15 H new ATOM 0 HD12 ILE A 34 4.347 1.292 2.797 1.00 3.15 H new ATOM 0 HD13 ILE A 34 3.692 1.457 1.150 1.00 3.15 H new ATOM 574 N VAL A 35 9.329 -0.225 1.114 1.00 13.24 N ATOM 575 CA VAL A 35 10.686 0.289 0.978 1.00 24.02 C ATOM 576 C VAL A 35 11.524 -0.608 0.074 1.00 22.21 C ATOM 577 O VAL A 35 12.225 -0.127 -0.816 1.00 43.25 O ATOM 578 CB VAL A 35 11.380 0.412 2.347 1.00 32.11 C ATOM 579 CG1 VAL A 35 12.808 0.908 2.180 1.00 14.32 C ATOM 580 CG2 VAL A 35 10.590 1.334 3.264 1.00 70.01 C ATOM 0 H VAL A 35 9.097 -0.561 2.049 1.00 13.24 H new ATOM 0 HA VAL A 35 10.606 1.280 0.530 1.00 24.02 H new ATOM 0 HB VAL A 35 11.416 -0.576 2.806 1.00 32.11 H new ATOM 0 HG11 VAL A 35 13.282 0.989 3.158 1.00 14.32 H new ATOM 0 HG12 VAL A 35 13.367 0.205 1.562 1.00 14.32 H new ATOM 0 HG13 VAL A 35 12.800 1.886 1.699 1.00 14.32 H new ATOM 0 HG21 VAL A 35 11.095 1.409 4.227 1.00 70.01 H new ATOM 0 HG22 VAL A 35 10.520 2.324 2.813 1.00 70.01 H new ATOM 0 HG23 VAL A 35 9.588 0.930 3.410 1.00 70.01 H new ATOM 590 N TRP A 36 11.447 -1.913 0.309 1.00 4.02 N ATOM 591 CA TRP A 36 12.200 -2.878 -0.486 1.00 13.45 C ATOM 592 C TRP A 36 11.789 -2.813 -1.953 1.00 14.52 C ATOM 593 O TRP A 36 12.541 -3.225 -2.835 1.00 53.44 O ATOM 594 CB TRP A 36 11.984 -4.292 0.056 1.00 63.45 C ATOM 595 CG TRP A 36 12.715 -5.344 -0.724 1.00 12.42 C ATOM 596 CD1 TRP A 36 13.912 -5.916 -0.404 1.00 71.40 C ATOM 597 CD2 TRP A 36 12.295 -5.946 -1.954 1.00 14.54 C ATOM 598 NE1 TRP A 36 14.263 -6.838 -1.361 1.00 33.32 N ATOM 599 CE2 TRP A 36 13.287 -6.876 -2.321 1.00 50.35 C ATOM 600 CE3 TRP A 36 11.178 -5.792 -2.777 1.00 52.54 C ATOM 601 CZ2 TRP A 36 13.192 -7.645 -3.478 1.00 22.35 C ATOM 602 CZ3 TRP A 36 11.086 -6.556 -3.925 1.00 41.20 C ATOM 603 CH2 TRP A 36 12.088 -7.473 -4.266 1.00 41.14 C ATOM 0 H TRP A 36 10.872 -2.327 1.042 1.00 4.02 H new ATOM 0 HA TRP A 36 13.258 -2.626 -0.414 1.00 13.45 H new ATOM 0 HB2 TRP A 36 12.309 -4.329 1.096 1.00 63.45 H new ATOM 0 HB3 TRP A 36 10.918 -4.518 0.047 1.00 63.45 H new ATOM 0 HD1 TRP A 36 14.497 -5.679 0.472 1.00 71.40 H new ATOM 0 HE1 TRP A 36 15.113 -7.402 -1.357 1.00 33.32 H new ATOM 0 HE3 TRP A 36 10.400 -5.088 -2.521 1.00 52.54 H new ATOM 0 HZ2 TRP A 36 13.963 -8.353 -3.744 1.00 22.35 H new ATOM 0 HZ3 TRP A 36 10.227 -6.444 -4.570 1.00 41.20 H new ATOM 0 HH2 TRP A 36 11.987 -8.056 -5.169 1.00 41.14 H new ATOM 614 N ALA A 37 10.592 -2.294 -2.205 1.00 61.22 N ATOM 615 CA ALA A 37 10.084 -2.174 -3.567 1.00 31.35 C ATOM 616 C ALA A 37 10.653 -0.940 -4.258 1.00 71.12 C ATOM 617 O ALA A 37 11.170 -1.024 -5.371 1.00 44.03 O ATOM 618 CB ALA A 37 8.563 -2.123 -3.559 1.00 72.41 C ATOM 0 H ALA A 37 9.956 -1.950 -1.485 1.00 61.22 H new ATOM 0 HA ALA A 37 10.405 -3.052 -4.128 1.00 31.35 H new ATOM 0 HB1 ALA A 37 8.197 -2.033 -4.582 1.00 72.41 H new ATOM 0 HB2 ALA A 37 8.171 -3.036 -3.112 1.00 72.41 H new ATOM 0 HB3 ALA A 37 8.231 -1.263 -2.978 1.00 72.41 H new ATOM 624 N ALA A 38 10.553 0.206 -3.591 1.00 34.40 N ATOM 625 CA ALA A 38 11.058 1.457 -4.142 1.00 10.22 C ATOM 626 C ALA A 38 12.568 1.395 -4.348 1.00 2.43 C ATOM 627 O ALA A 38 13.082 1.830 -5.377 1.00 21.12 O ATOM 628 CB ALA A 38 10.695 2.620 -3.230 1.00 11.12 C ATOM 0 H ALA A 38 10.127 0.293 -2.668 1.00 34.40 H new ATOM 0 HA ALA A 38 10.591 1.613 -5.114 1.00 10.22 H new ATOM 0 HB1 ALA A 38 11.078 3.548 -3.654 1.00 11.12 H new ATOM 0 HB2 ALA A 38 9.611 2.684 -3.136 1.00 11.12 H new ATOM 0 HB3 ALA A 38 11.135 2.462 -2.246 1.00 11.12 H new ATOM 634 N ASN A 39 13.274 0.853 -3.360 1.00 74.03 N ATOM 635 CA ASN A 39 14.725 0.736 -3.433 1.00 24.21 C ATOM 636 C ASN A 39 15.142 -0.157 -4.597 1.00 74.45 C ATOM 637 O ASN A 39 16.205 0.031 -5.190 1.00 33.30 O ATOM 638 CB ASN A 39 15.279 0.175 -2.122 1.00 71.31 C ATOM 639 CG ASN A 39 15.493 1.252 -1.076 1.00 62.30 C ATOM 640 OD1 ASN A 39 14.630 1.493 -0.233 1.00 14.14 O ATOM 641 ND2 ASN A 39 16.648 1.904 -1.127 1.00 45.43 N ATOM 0 H ASN A 39 12.864 0.488 -2.500 1.00 74.03 H new ATOM 0 HA ASN A 39 15.136 1.732 -3.597 1.00 24.21 H new ATOM 0 HB2 ASN A 39 14.591 -0.575 -1.732 1.00 71.31 H new ATOM 0 HB3 ASN A 39 16.225 -0.331 -2.317 1.00 71.31 H new ATOM 0 HD21 ASN A 39 16.849 2.639 -0.449 1.00 45.43 H new ATOM 0 HD22 ASN A 39 17.334 1.670 -1.844 1.00 45.43 H new ATOM 648 N LYS A 40 14.295 -1.129 -4.923 1.00 25.14 N ATOM 649 CA LYS A 40 14.572 -2.051 -6.017 1.00 3.32 C ATOM 650 C LYS A 40 14.375 -1.368 -7.367 1.00 35.02 C ATOM 651 O LYS A 40 15.118 -1.620 -8.317 1.00 12.13 O ATOM 652 CB LYS A 40 13.666 -3.280 -5.918 1.00 63.22 C ATOM 653 CG LYS A 40 14.209 -4.497 -6.648 1.00 54.12 C ATOM 654 CD LYS A 40 14.897 -5.459 -5.695 1.00 64.00 C ATOM 655 CE LYS A 40 16.113 -6.106 -6.339 1.00 72.51 C ATOM 656 NZ LYS A 40 17.142 -6.481 -5.329 1.00 52.30 N ATOM 0 H LYS A 40 13.410 -1.298 -4.444 1.00 25.14 H new ATOM 0 HA LYS A 40 15.612 -2.367 -5.938 1.00 3.32 H new ATOM 0 HB2 LYS A 40 13.522 -3.531 -4.867 1.00 63.22 H new ATOM 0 HB3 LYS A 40 12.685 -3.031 -6.323 1.00 63.22 H new ATOM 0 HG2 LYS A 40 13.394 -5.010 -7.158 1.00 54.12 H new ATOM 0 HG3 LYS A 40 14.914 -4.177 -7.415 1.00 54.12 H new ATOM 0 HD2 LYS A 40 15.201 -4.926 -4.794 1.00 64.00 H new ATOM 0 HD3 LYS A 40 14.193 -6.232 -5.385 1.00 64.00 H new ATOM 0 HE2 LYS A 40 15.803 -6.995 -6.889 1.00 72.51 H new ATOM 0 HE3 LYS A 40 16.549 -5.419 -7.064 1.00 72.51 H new ATOM 0 HZ1 LYS A 40 17.955 -6.919 -5.808 1.00 52.30 H new ATOM 0 HZ2 LYS A 40 17.457 -5.630 -4.821 1.00 52.30 H new ATOM 0 HZ3 LYS A 40 16.734 -7.157 -4.652 1.00 52.30 H new ATOM 670 N LEU A 41 13.370 -0.503 -7.445 1.00 41.21 N ATOM 671 CA LEU A 41 13.076 0.219 -8.679 1.00 31.24 C ATOM 672 C LEU A 41 14.229 1.143 -9.057 1.00 54.02 C ATOM 673 O LEU A 41 14.712 1.116 -10.190 1.00 14.23 O ATOM 674 CB LEU A 41 11.787 1.029 -8.524 1.00 72.44 C ATOM 675 CG LEU A 41 10.503 0.219 -8.342 1.00 35.43 C ATOM 676 CD1 LEU A 41 9.388 1.099 -7.800 1.00 1.12 C ATOM 677 CD2 LEU A 41 10.086 -0.424 -9.657 1.00 5.21 C ATOM 0 H LEU A 41 12.745 -0.284 -6.669 1.00 41.21 H new ATOM 0 HA LEU A 41 12.945 -0.512 -9.477 1.00 31.24 H new ATOM 0 HB2 LEU A 41 11.899 1.692 -7.666 1.00 72.44 H new ATOM 0 HB3 LEU A 41 11.672 1.662 -9.404 1.00 72.44 H new ATOM 0 HG LEU A 41 10.697 -0.573 -7.619 1.00 35.43 H new ATOM 0 HD11 LEU A 41 8.483 0.505 -7.677 1.00 1.12 H new ATOM 0 HD12 LEU A 41 9.685 1.510 -6.835 1.00 1.12 H new ATOM 0 HD13 LEU A 41 9.195 1.914 -8.498 1.00 1.12 H new ATOM 0 HD21 LEU A 41 9.170 -0.996 -9.508 1.00 5.21 H new ATOM 0 HD22 LEU A 41 9.912 0.352 -10.402 1.00 5.21 H new ATOM 0 HD23 LEU A 41 10.877 -1.089 -10.004 1.00 5.21 H new ATOM 689 N ASP A 42 14.665 1.957 -8.104 1.00 30.03 N ATOM 690 CA ASP A 42 15.763 2.887 -8.336 1.00 4.53 C ATOM 691 C ASP A 42 16.964 2.170 -8.943 1.00 63.32 C ATOM 692 O ASP A 42 17.513 2.604 -9.956 1.00 55.32 O ATOM 693 CB ASP A 42 16.169 3.569 -7.028 1.00 75.31 C ATOM 694 CG ASP A 42 17.541 4.208 -7.109 1.00 35.33 C ATOM 695 OD1 ASP A 42 17.813 4.905 -8.109 1.00 24.12 O ATOM 696 OD2 ASP A 42 18.342 4.011 -6.171 1.00 13.31 O ATOM 0 H ASP A 42 14.275 1.992 -7.162 1.00 30.03 H new ATOM 0 HA ASP A 42 15.420 3.645 -9.041 1.00 4.53 H new ATOM 0 HB2 ASP A 42 15.431 4.330 -6.775 1.00 75.31 H new ATOM 0 HB3 ASP A 42 16.160 2.836 -6.222 1.00 75.31 H new ATOM 701 N ARG A 43 17.369 1.070 -8.316 1.00 75.14 N ATOM 702 CA ARG A 43 18.506 0.294 -8.793 1.00 63.43 C ATOM 703 C ARG A 43 18.231 -0.277 -10.182 1.00 0.12 C ATOM 704 O ARG A 43 18.952 0.012 -11.137 1.00 14.10 O ATOM 705 CB ARG A 43 18.822 -0.842 -7.817 1.00 52.50 C ATOM 706 CG ARG A 43 20.288 -1.242 -7.803 1.00 24.04 C ATOM 707 CD ARG A 43 20.465 -2.719 -8.116 1.00 31.20 C ATOM 708 NE ARG A 43 21.764 -2.998 -8.722 1.00 63.21 N ATOM 709 CZ ARG A 43 22.914 -2.933 -8.060 1.00 22.40 C ATOM 710 NH1 ARG A 43 22.925 -2.600 -6.776 1.00 31.12 N ATOM 711 NH2 ARG A 43 24.055 -3.201 -8.681 1.00 64.41 N ATOM 0 H ARG A 43 16.926 0.697 -7.476 1.00 75.14 H new ATOM 0 HA ARG A 43 19.367 0.960 -8.856 1.00 63.43 H new ATOM 0 HB2 ARG A 43 18.527 -0.539 -6.812 1.00 52.50 H new ATOM 0 HB3 ARG A 43 18.219 -1.712 -8.078 1.00 52.50 H new ATOM 0 HG2 ARG A 43 20.836 -0.646 -8.533 1.00 24.04 H new ATOM 0 HG3 ARG A 43 20.717 -1.022 -6.825 1.00 24.04 H new ATOM 0 HD2 ARG A 43 20.361 -3.299 -7.199 1.00 31.20 H new ATOM 0 HD3 ARG A 43 19.673 -3.044 -8.791 1.00 31.20 H new ATOM 0 HE ARG A 43 21.790 -3.257 -9.708 1.00 63.21 H new ATOM 0 HH11 ARG A 43 22.049 -2.393 -6.295 1.00 31.12 H new ATOM 0 HH12 ARG A 43 23.809 -2.551 -6.269 1.00 31.12 H new ATOM 0 HH21 ARG A 43 24.050 -3.457 -9.668 1.00 64.41 H new ATOM 0 HH22 ARG A 43 24.937 -3.151 -8.171 1.00 64.41 H new ATOM 725 N PHE A 44 17.185 -1.089 -10.285 1.00 73.33 N ATOM 726 CA PHE A 44 16.815 -1.703 -11.555 1.00 11.50 C ATOM 727 C PHE A 44 16.809 -0.667 -12.677 1.00 22.42 C ATOM 728 O PHE A 44 17.351 -0.903 -13.756 1.00 41.21 O ATOM 729 CB PHE A 44 15.438 -2.361 -11.447 1.00 3.24 C ATOM 730 CG PHE A 44 15.496 -3.810 -11.057 1.00 22.23 C ATOM 731 CD1 PHE A 44 16.288 -4.700 -11.765 1.00 22.52 C ATOM 732 CD2 PHE A 44 14.759 -4.283 -9.983 1.00 1.21 C ATOM 733 CE1 PHE A 44 16.342 -6.035 -11.409 1.00 20.13 C ATOM 734 CE2 PHE A 44 14.810 -5.616 -9.622 1.00 72.12 C ATOM 735 CZ PHE A 44 15.603 -6.493 -10.336 1.00 22.31 C ATOM 0 H PHE A 44 16.578 -1.338 -9.504 1.00 73.33 H new ATOM 0 HA PHE A 44 17.557 -2.466 -11.791 1.00 11.50 H new ATOM 0 HB2 PHE A 44 14.842 -1.819 -10.713 1.00 3.24 H new ATOM 0 HB3 PHE A 44 14.925 -2.271 -12.404 1.00 3.24 H new ATOM 0 HD1 PHE A 44 16.869 -4.347 -12.604 1.00 22.52 H new ATOM 0 HD2 PHE A 44 14.137 -3.602 -9.421 1.00 1.21 H new ATOM 0 HE1 PHE A 44 16.962 -6.719 -11.970 1.00 20.13 H new ATOM 0 HE2 PHE A 44 14.231 -5.972 -8.783 1.00 72.12 H new ATOM 0 HZ PHE A 44 15.645 -7.535 -10.056 1.00 22.31 H new ATOM 745 N GLY A 45 16.193 0.480 -12.412 1.00 34.10 N ATOM 746 CA GLY A 45 16.126 1.534 -13.408 1.00 21.22 C ATOM 747 C GLY A 45 14.778 2.227 -13.431 1.00 23.04 C ATOM 748 O GLY A 45 14.599 3.230 -14.122 1.00 31.01 O ATOM 0 H GLY A 45 15.739 0.699 -11.525 1.00 34.10 H new ATOM 0 HA2 GLY A 45 16.905 2.269 -13.207 1.00 21.22 H new ATOM 0 HA3 GLY A 45 16.331 1.113 -14.392 1.00 21.22 H new ATOM 752 N LEU A 46 13.828 1.691 -12.674 1.00 55.33 N ATOM 753 CA LEU A 46 12.487 2.264 -12.610 1.00 54.25 C ATOM 754 C LEU A 46 12.411 3.356 -11.549 1.00 5.23 C ATOM 755 O LEU A 46 13.284 3.459 -10.686 1.00 73.25 O ATOM 756 CB LEU A 46 11.458 1.173 -12.309 1.00 61.31 C ATOM 757 CG LEU A 46 10.911 0.414 -13.518 1.00 55.24 C ATOM 758 CD1 LEU A 46 10.825 -1.075 -13.220 1.00 42.04 C ATOM 759 CD2 LEU A 46 9.548 0.959 -13.917 1.00 35.32 C ATOM 0 H LEU A 46 13.960 0.861 -12.096 1.00 55.33 H new ATOM 0 HA LEU A 46 12.263 2.709 -13.580 1.00 54.25 H new ATOM 0 HB2 LEU A 46 11.911 0.453 -11.628 1.00 61.31 H new ATOM 0 HB3 LEU A 46 10.620 1.628 -11.781 1.00 61.31 H new ATOM 0 HG LEU A 46 11.597 0.557 -14.353 1.00 55.24 H new ATOM 0 HD11 LEU A 46 10.434 -1.599 -14.092 1.00 42.04 H new ATOM 0 HD12 LEU A 46 11.818 -1.457 -12.983 1.00 42.04 H new ATOM 0 HD13 LEU A 46 10.162 -1.238 -12.371 1.00 42.04 H new ATOM 0 HD21 LEU A 46 9.174 0.407 -14.779 1.00 35.32 H new ATOM 0 HD22 LEU A 46 8.853 0.847 -13.085 1.00 35.32 H new ATOM 0 HD23 LEU A 46 9.639 2.014 -14.173 1.00 35.32 H new ATOM 771 N ALA A 47 11.363 4.170 -11.617 1.00 53.34 N ATOM 772 CA ALA A 47 11.172 5.252 -10.660 1.00 12.42 C ATOM 773 C ALA A 47 10.178 4.855 -9.573 1.00 50.04 C ATOM 774 O ALA A 47 9.441 3.880 -9.721 1.00 1.34 O ATOM 775 CB ALA A 47 10.701 6.511 -11.374 1.00 32.31 C ATOM 0 H ALA A 47 10.633 4.100 -12.326 1.00 53.34 H new ATOM 0 HA ALA A 47 12.131 5.455 -10.183 1.00 12.42 H new ATOM 0 HB1 ALA A 47 10.562 7.311 -10.647 1.00 32.31 H new ATOM 0 HB2 ALA A 47 11.447 6.813 -12.109 1.00 32.31 H new ATOM 0 HB3 ALA A 47 9.756 6.311 -11.878 1.00 32.31 H new ATOM 781 N GLU A 48 10.166 5.615 -8.483 1.00 31.54 N ATOM 782 CA GLU A 48 9.263 5.339 -7.371 1.00 4.05 C ATOM 783 C GLU A 48 7.945 6.087 -7.542 1.00 55.34 C ATOM 784 O GLU A 48 6.960 5.796 -6.863 1.00 32.00 O ATOM 785 CB GLU A 48 9.917 5.733 -6.045 1.00 2.24 C ATOM 786 CG GLU A 48 10.021 7.235 -5.840 1.00 61.05 C ATOM 787 CD GLU A 48 11.029 7.609 -4.771 1.00 44.33 C ATOM 788 OE1 GLU A 48 11.485 6.703 -4.043 1.00 23.00 O ATOM 789 OE2 GLU A 48 11.362 8.808 -4.663 1.00 72.11 O ATOM 0 H GLU A 48 10.770 6.425 -8.346 1.00 31.54 H new ATOM 0 HA GLU A 48 9.055 4.269 -7.362 1.00 4.05 H new ATOM 0 HB2 GLU A 48 9.344 5.302 -5.225 1.00 2.24 H new ATOM 0 HB3 GLU A 48 10.916 5.299 -5.999 1.00 2.24 H new ATOM 0 HG2 GLU A 48 10.302 7.708 -6.781 1.00 61.05 H new ATOM 0 HG3 GLU A 48 9.043 7.629 -5.565 1.00 61.05 H new ATOM 796 N SER A 49 7.933 7.053 -8.456 1.00 25.00 N ATOM 797 CA SER A 49 6.737 7.847 -8.714 1.00 10.21 C ATOM 798 C SER A 49 5.637 6.988 -9.329 1.00 31.40 C ATOM 799 O SER A 49 4.481 7.405 -9.416 1.00 5.22 O ATOM 800 CB SER A 49 7.067 9.016 -9.645 1.00 35.40 C ATOM 801 OG SER A 49 8.456 9.296 -9.640 1.00 34.34 O ATOM 0 H SER A 49 8.738 7.304 -9.030 1.00 25.00 H new ATOM 0 HA SER A 49 6.379 8.239 -7.762 1.00 10.21 H new ATOM 0 HB2 SER A 49 6.744 8.780 -10.659 1.00 35.40 H new ATOM 0 HB3 SER A 49 6.513 9.901 -9.332 1.00 35.40 H new ATOM 0 HG SER A 49 8.641 10.045 -10.244 1.00 34.34 H new ATOM 807 N LEU A 50 6.005 5.783 -9.755 1.00 15.40 N ATOM 808 CA LEU A 50 5.050 4.862 -10.362 1.00 41.53 C ATOM 809 C LEU A 50 4.416 3.961 -9.307 1.00 61.34 C ATOM 810 O LEU A 50 3.819 2.933 -9.631 1.00 43.43 O ATOM 811 CB LEU A 50 5.740 4.012 -11.430 1.00 32.00 C ATOM 812 CG LEU A 50 6.552 4.777 -12.476 1.00 34.34 C ATOM 813 CD1 LEU A 50 7.730 3.941 -12.952 1.00 2.22 C ATOM 814 CD2 LEU A 50 5.670 5.175 -13.649 1.00 54.11 C ATOM 0 H LEU A 50 6.957 5.422 -9.691 1.00 15.40 H new ATOM 0 HA LEU A 50 4.261 5.451 -10.830 1.00 41.53 H new ATOM 0 HB2 LEU A 50 6.403 3.305 -10.931 1.00 32.00 H new ATOM 0 HB3 LEU A 50 4.980 3.426 -11.947 1.00 32.00 H new ATOM 0 HG LEU A 50 6.940 5.685 -12.015 1.00 34.34 H new ATOM 0 HD11 LEU A 50 8.297 4.501 -13.696 1.00 2.22 H new ATOM 0 HD12 LEU A 50 8.375 3.706 -12.105 1.00 2.22 H new ATOM 0 HD13 LEU A 50 7.363 3.016 -13.396 1.00 2.22 H new ATOM 0 HD21 LEU A 50 6.265 5.718 -14.383 1.00 54.11 H new ATOM 0 HD22 LEU A 50 5.253 4.280 -14.111 1.00 54.11 H new ATOM 0 HD23 LEU A 50 4.860 5.812 -13.295 1.00 54.11 H new ATOM 826 N LEU A 51 4.549 4.352 -8.045 1.00 44.11 N ATOM 827 CA LEU A 51 3.988 3.580 -6.942 1.00 24.13 C ATOM 828 C LEU A 51 2.782 4.291 -6.337 1.00 52.24 C ATOM 829 O LEU A 51 2.036 3.709 -5.551 1.00 61.21 O ATOM 830 CB LEU A 51 5.049 3.347 -5.865 1.00 52.35 C ATOM 831 CG LEU A 51 6.005 2.178 -6.106 1.00 61.50 C ATOM 832 CD1 LEU A 51 7.126 2.184 -5.078 1.00 71.12 C ATOM 833 CD2 LEU A 51 5.251 0.856 -6.068 1.00 43.45 C ATOM 0 H LEU A 51 5.040 5.199 -7.760 1.00 44.11 H new ATOM 0 HA LEU A 51 3.660 2.618 -7.335 1.00 24.13 H new ATOM 0 HB2 LEU A 51 5.639 4.258 -5.762 1.00 52.35 H new ATOM 0 HB3 LEU A 51 4.543 3.186 -4.913 1.00 52.35 H new ATOM 0 HG LEU A 51 6.447 2.293 -7.096 1.00 61.50 H new ATOM 0 HD11 LEU A 51 7.796 1.345 -5.266 1.00 71.12 H new ATOM 0 HD12 LEU A 51 7.684 3.118 -5.153 1.00 71.12 H new ATOM 0 HD13 LEU A 51 6.703 2.094 -4.078 1.00 71.12 H new ATOM 0 HD21 LEU A 51 5.947 0.035 -6.241 1.00 43.45 H new ATOM 0 HD22 LEU A 51 4.781 0.733 -5.092 1.00 43.45 H new ATOM 0 HD23 LEU A 51 4.485 0.852 -6.843 1.00 43.45 H new ATOM 845 N GLU A 52 2.596 5.554 -6.713 1.00 73.25 N ATOM 846 CA GLU A 52 1.479 6.343 -6.208 1.00 53.45 C ATOM 847 C GLU A 52 0.430 6.559 -7.296 1.00 22.51 C ATOM 848 O GLU A 52 -0.271 7.571 -7.305 1.00 44.04 O ATOM 849 CB GLU A 52 1.975 7.694 -5.687 1.00 74.54 C ATOM 850 CG GLU A 52 2.951 8.386 -6.623 1.00 63.10 C ATOM 851 CD GLU A 52 2.788 9.894 -6.626 1.00 34.41 C ATOM 852 OE1 GLU A 52 2.155 10.423 -5.686 1.00 71.25 O ATOM 853 OE2 GLU A 52 3.291 10.545 -7.565 1.00 34.13 O ATOM 0 H GLU A 52 3.204 6.051 -7.364 1.00 73.25 H new ATOM 0 HA GLU A 52 1.019 5.792 -5.388 1.00 53.45 H new ATOM 0 HB2 GLU A 52 1.118 8.347 -5.522 1.00 74.54 H new ATOM 0 HB3 GLU A 52 2.455 7.547 -4.719 1.00 74.54 H new ATOM 0 HG2 GLU A 52 3.970 8.135 -6.329 1.00 63.10 H new ATOM 0 HG3 GLU A 52 2.809 8.007 -7.635 1.00 63.10 H new ATOM 860 N SER A 53 0.330 5.600 -8.211 1.00 75.13 N ATOM 861 CA SER A 53 -0.630 5.687 -9.306 1.00 22.42 C ATOM 862 C SER A 53 -0.863 4.316 -9.934 1.00 31.54 C ATOM 863 O SER A 53 -0.080 3.386 -9.733 1.00 10.33 O ATOM 864 CB SER A 53 -0.136 6.669 -10.370 1.00 3.14 C ATOM 865 OG SER A 53 0.341 5.984 -11.515 1.00 24.55 O ATOM 0 H SER A 53 0.901 4.755 -8.216 1.00 75.13 H new ATOM 0 HA SER A 53 -1.575 6.048 -8.899 1.00 22.42 H new ATOM 0 HB2 SER A 53 -0.947 7.339 -10.655 1.00 3.14 H new ATOM 0 HB3 SER A 53 0.659 7.289 -9.956 1.00 3.14 H new ATOM 0 HG SER A 53 0.649 6.634 -12.180 1.00 24.55 H new ATOM 871 N LYS A 54 -1.945 4.196 -10.695 1.00 12.35 N ATOM 872 CA LYS A 54 -2.284 2.941 -11.354 1.00 24.11 C ATOM 873 C LYS A 54 -1.660 2.871 -12.744 1.00 31.33 C ATOM 874 O LYS A 54 -1.133 1.835 -13.146 1.00 73.11 O ATOM 875 CB LYS A 54 -3.803 2.788 -11.456 1.00 53.11 C ATOM 876 CG LYS A 54 -4.477 3.911 -12.224 1.00 20.21 C ATOM 877 CD LYS A 54 -5.990 3.780 -12.191 1.00 75.10 C ATOM 878 CE LYS A 54 -6.523 3.145 -13.465 1.00 52.53 C ATOM 879 NZ LYS A 54 -7.068 4.163 -14.407 1.00 1.21 N ATOM 0 H LYS A 54 -2.604 4.955 -10.871 1.00 12.35 H new ATOM 0 HA LYS A 54 -1.883 2.124 -10.754 1.00 24.11 H new ATOM 0 HB2 LYS A 54 -4.032 1.839 -11.941 1.00 53.11 H new ATOM 0 HB3 LYS A 54 -4.223 2.743 -10.451 1.00 53.11 H new ATOM 0 HG2 LYS A 54 -4.185 4.871 -11.798 1.00 20.21 H new ATOM 0 HG3 LYS A 54 -4.133 3.903 -13.258 1.00 20.21 H new ATOM 0 HD2 LYS A 54 -6.285 3.177 -11.332 1.00 75.10 H new ATOM 0 HD3 LYS A 54 -6.439 4.765 -12.059 1.00 75.10 H new ATOM 0 HE2 LYS A 54 -5.724 2.588 -13.955 1.00 52.53 H new ATOM 0 HE3 LYS A 54 -7.304 2.428 -13.214 1.00 52.53 H new ATOM 0 HZ1 LYS A 54 -7.421 3.690 -15.263 1.00 1.21 H new ATOM 0 HZ2 LYS A 54 -7.847 4.678 -13.949 1.00 1.21 H new ATOM 0 HZ3 LYS A 54 -6.316 4.833 -14.667 1.00 1.21 H new ATOM 893 N GLU A 55 -1.724 3.981 -13.472 1.00 44.45 N ATOM 894 CA GLU A 55 -1.165 4.044 -14.818 1.00 4.15 C ATOM 895 C GLU A 55 0.348 3.840 -14.788 1.00 55.01 C ATOM 896 O GLU A 55 0.940 3.362 -15.755 1.00 51.41 O ATOM 897 CB GLU A 55 -1.495 5.389 -15.469 1.00 73.24 C ATOM 898 CG GLU A 55 -1.056 5.487 -16.921 1.00 31.24 C ATOM 899 CD GLU A 55 -1.993 6.334 -17.759 1.00 22.04 C ATOM 900 OE1 GLU A 55 -3.201 6.020 -17.797 1.00 53.13 O ATOM 901 OE2 GLU A 55 -1.519 7.310 -18.375 1.00 1.32 O ATOM 0 H GLU A 55 -2.157 4.848 -13.153 1.00 44.45 H new ATOM 0 HA GLU A 55 -1.612 3.243 -15.407 1.00 4.15 H new ATOM 0 HB2 GLU A 55 -2.570 5.557 -15.411 1.00 73.24 H new ATOM 0 HB3 GLU A 55 -1.017 6.186 -14.899 1.00 73.24 H new ATOM 0 HG2 GLU A 55 -0.053 5.910 -16.965 1.00 31.24 H new ATOM 0 HG3 GLU A 55 -0.999 4.486 -17.347 1.00 31.24 H new ATOM 908 N GLY A 56 0.967 4.205 -13.670 1.00 0.50 N ATOM 909 CA GLY A 56 2.404 4.056 -13.534 1.00 72.45 C ATOM 910 C GLY A 56 2.808 2.638 -13.182 1.00 43.02 C ATOM 911 O GLY A 56 3.741 2.087 -13.770 1.00 54.51 O ATOM 0 H GLY A 56 0.499 4.602 -12.855 1.00 0.50 H new ATOM 0 HA2 GLY A 56 2.886 4.347 -14.467 1.00 72.45 H new ATOM 0 HA3 GLY A 56 2.765 4.736 -12.762 1.00 72.45 H new ATOM 915 N CYS A 57 2.109 2.047 -12.221 1.00 34.51 N ATOM 916 CA CYS A 57 2.401 0.684 -11.790 1.00 3.24 C ATOM 917 C CYS A 57 2.093 -0.316 -12.899 1.00 54.22 C ATOM 918 O CYS A 57 2.780 -1.326 -13.045 1.00 33.24 O ATOM 919 CB CYS A 57 1.595 0.339 -10.536 1.00 44.04 C ATOM 920 SG CYS A 57 2.597 0.150 -9.043 1.00 52.12 S ATOM 0 H CYS A 57 1.336 2.490 -11.725 1.00 34.51 H new ATOM 0 HA CYS A 57 3.464 0.624 -11.557 1.00 3.24 H new ATOM 0 HB2 CYS A 57 0.854 1.121 -10.367 1.00 44.04 H new ATOM 0 HB3 CYS A 57 1.047 -0.587 -10.713 1.00 44.04 H new ATOM 0 HG CYS A 57 3.391 1.172 -8.921 1.00 52.12 H new ATOM 926 N GLN A 58 1.055 -0.026 -13.678 1.00 74.50 N ATOM 927 CA GLN A 58 0.654 -0.902 -14.772 1.00 63.20 C ATOM 928 C GLN A 58 1.783 -1.058 -15.785 1.00 65.23 C ATOM 929 O GLN A 58 1.936 -2.113 -16.404 1.00 0.43 O ATOM 930 CB GLN A 58 -0.594 -0.351 -15.463 1.00 71.21 C ATOM 931 CG GLN A 58 -1.465 -1.426 -16.093 1.00 73.13 C ATOM 932 CD GLN A 58 -1.635 -1.237 -17.588 1.00 21.22 C ATOM 933 OE1 GLN A 58 -2.544 -0.538 -18.038 1.00 30.32 O ATOM 934 NE2 GLN A 58 -0.759 -1.859 -18.367 1.00 71.34 N ATOM 0 H GLN A 58 0.477 0.808 -13.572 1.00 74.50 H new ATOM 0 HA GLN A 58 0.426 -1.883 -14.354 1.00 63.20 H new ATOM 0 HB2 GLN A 58 -1.186 0.205 -14.736 1.00 71.21 H new ATOM 0 HB3 GLN A 58 -0.290 0.357 -16.234 1.00 71.21 H new ATOM 0 HG2 GLN A 58 -1.024 -2.404 -15.902 1.00 73.13 H new ATOM 0 HG3 GLN A 58 -2.445 -1.420 -15.616 1.00 73.13 H new ATOM 0 HE21 GLN A 58 -0.021 -2.428 -17.952 1.00 71.34 H new ATOM 0 HE22 GLN A 58 -0.823 -1.768 -19.381 1.00 71.34 H new ATOM 943 N LYS A 59 2.572 -0.003 -15.952 1.00 1.11 N ATOM 944 CA LYS A 59 3.689 -0.021 -16.890 1.00 60.22 C ATOM 945 C LYS A 59 4.847 -0.849 -16.341 1.00 33.13 C ATOM 946 O LYS A 59 5.775 -1.197 -17.071 1.00 41.42 O ATOM 947 CB LYS A 59 4.161 1.404 -17.182 1.00 10.50 C ATOM 948 CG LYS A 59 3.934 1.837 -18.621 1.00 2.25 C ATOM 949 CD LYS A 59 2.963 3.002 -18.706 1.00 42.20 C ATOM 950 CE LYS A 59 3.355 3.974 -19.809 1.00 13.20 C ATOM 951 NZ LYS A 59 4.305 5.012 -19.321 1.00 41.31 N ATOM 0 H LYS A 59 2.459 0.877 -15.449 1.00 1.11 H new ATOM 0 HA LYS A 59 3.344 -0.479 -17.817 1.00 60.22 H new ATOM 0 HB2 LYS A 59 3.641 2.094 -16.517 1.00 10.50 H new ATOM 0 HB3 LYS A 59 5.224 1.480 -16.952 1.00 10.50 H new ATOM 0 HG2 LYS A 59 4.885 2.122 -19.071 1.00 2.25 H new ATOM 0 HG3 LYS A 59 3.547 0.997 -19.198 1.00 2.25 H new ATOM 0 HD2 LYS A 59 1.957 2.626 -18.891 1.00 42.20 H new ATOM 0 HD3 LYS A 59 2.936 3.526 -17.750 1.00 42.20 H new ATOM 0 HE2 LYS A 59 3.810 3.424 -20.633 1.00 13.20 H new ATOM 0 HE3 LYS A 59 2.460 4.457 -20.203 1.00 13.20 H new ATOM 0 HZ1 LYS A 59 4.548 5.655 -20.102 1.00 41.31 H new ATOM 0 HZ2 LYS A 59 3.862 5.554 -18.552 1.00 41.31 H new ATOM 0 HZ3 LYS A 59 5.169 4.553 -18.969 1.00 41.31 H new ATOM 965 N ILE A 60 4.785 -1.161 -15.051 1.00 4.33 N ATOM 966 CA ILE A 60 5.828 -1.949 -14.406 1.00 34.24 C ATOM 967 C ILE A 60 5.527 -3.441 -14.500 1.00 44.12 C ATOM 968 O ILE A 60 6.420 -4.251 -14.754 1.00 12.40 O ATOM 969 CB ILE A 60 5.989 -1.564 -12.923 1.00 10.24 C ATOM 970 CG1 ILE A 60 6.051 -0.042 -12.773 1.00 70.44 C ATOM 971 CG2 ILE A 60 7.237 -2.209 -12.340 1.00 72.33 C ATOM 972 CD1 ILE A 60 6.100 0.422 -11.335 1.00 1.12 C ATOM 0 H ILE A 60 4.024 -0.880 -14.432 1.00 4.33 H new ATOM 0 HA ILE A 60 6.757 -1.733 -14.933 1.00 34.24 H new ATOM 0 HB ILE A 60 5.123 -1.931 -12.372 1.00 10.24 H new ATOM 0 HG12 ILE A 60 6.931 0.331 -13.297 1.00 70.44 H new ATOM 0 HG13 ILE A 60 5.180 0.399 -13.259 1.00 70.44 H new ATOM 0 HG21 ILE A 60 7.336 -1.927 -11.292 1.00 72.33 H new ATOM 0 HG22 ILE A 60 7.157 -3.293 -12.418 1.00 72.33 H new ATOM 0 HG23 ILE A 60 8.114 -1.869 -12.892 1.00 72.33 H new ATOM 0 HD11 ILE A 60 6.143 1.511 -11.305 1.00 1.12 H new ATOM 0 HD12 ILE A 60 5.207 0.079 -10.812 1.00 1.12 H new ATOM 0 HD13 ILE A 60 6.985 0.011 -10.850 1.00 1.12 H new ATOM 984 N LEU A 61 4.264 -3.799 -14.298 1.00 54.43 N ATOM 985 CA LEU A 61 3.844 -5.194 -14.364 1.00 13.01 C ATOM 986 C LEU A 61 4.047 -5.760 -15.765 1.00 1.30 C ATOM 987 O LEU A 61 4.139 -6.973 -15.951 1.00 22.25 O ATOM 988 CB LEU A 61 2.374 -5.325 -13.957 1.00 0.31 C ATOM 989 CG LEU A 61 2.049 -4.999 -12.499 1.00 24.51 C ATOM 990 CD1 LEU A 61 0.548 -5.041 -12.264 1.00 73.34 C ATOM 991 CD2 LEU A 61 2.764 -5.966 -11.565 1.00 50.12 C ATOM 0 H LEU A 61 3.513 -3.142 -14.087 1.00 54.43 H new ATOM 0 HA LEU A 61 4.460 -5.765 -13.669 1.00 13.01 H new ATOM 0 HB2 LEU A 61 1.781 -4.670 -14.596 1.00 0.31 H new ATOM 0 HB3 LEU A 61 2.051 -6.346 -14.161 1.00 0.31 H new ATOM 0 HG LEU A 61 2.401 -3.990 -12.285 1.00 24.51 H new ATOM 0 HD11 LEU A 61 0.336 -4.806 -11.221 1.00 73.34 H new ATOM 0 HD12 LEU A 61 0.058 -4.310 -12.907 1.00 73.34 H new ATOM 0 HD13 LEU A 61 0.171 -6.037 -12.495 1.00 73.34 H new ATOM 0 HD21 LEU A 61 2.522 -5.720 -10.531 1.00 50.12 H new ATOM 0 HD22 LEU A 61 2.442 -6.985 -11.780 1.00 50.12 H new ATOM 0 HD23 LEU A 61 3.841 -5.887 -11.714 1.00 50.12 H new ATOM 1003 N THR A 62 4.120 -4.871 -16.752 1.00 13.31 N ATOM 1004 CA THR A 62 4.315 -5.280 -18.137 1.00 31.13 C ATOM 1005 C THR A 62 5.767 -5.663 -18.398 1.00 14.42 C ATOM 1006 O THR A 62 6.053 -6.514 -19.240 1.00 40.43 O ATOM 1007 CB THR A 62 3.905 -4.164 -19.115 1.00 40.05 C ATOM 1008 OG1 THR A 62 3.629 -4.720 -20.406 1.00 34.20 O ATOM 1009 CG2 THR A 62 5.004 -3.118 -19.233 1.00 53.20 C ATOM 0 H THR A 62 4.047 -3.863 -16.617 1.00 13.31 H new ATOM 0 HA THR A 62 3.678 -6.149 -18.303 1.00 31.13 H new ATOM 0 HB THR A 62 3.007 -3.683 -18.727 1.00 40.05 H new ATOM 0 HG1 THR A 62 3.368 -4.004 -21.022 1.00 34.20 H new ATOM 0 HG21 THR A 62 4.692 -2.339 -19.929 1.00 53.20 H new ATOM 0 HG22 THR A 62 5.192 -2.676 -18.255 1.00 53.20 H new ATOM 0 HG23 THR A 62 5.916 -3.588 -19.600 1.00 53.20 H new ATOM 1017 N VAL A 63 6.681 -5.028 -17.671 1.00 72.30 N ATOM 1018 CA VAL A 63 8.104 -5.304 -17.823 1.00 21.43 C ATOM 1019 C VAL A 63 8.511 -6.547 -17.039 1.00 41.34 C ATOM 1020 O VAL A 63 9.446 -7.255 -17.417 1.00 73.32 O ATOM 1021 CB VAL A 63 8.960 -4.113 -17.354 1.00 12.20 C ATOM 1022 CG1 VAL A 63 10.441 -4.433 -17.487 1.00 62.32 C ATOM 1023 CG2 VAL A 63 8.605 -2.860 -18.140 1.00 42.42 C ATOM 0 H VAL A 63 6.461 -4.319 -16.971 1.00 72.30 H new ATOM 0 HA VAL A 63 8.281 -5.474 -18.885 1.00 21.43 H new ATOM 0 HB VAL A 63 8.746 -3.928 -16.301 1.00 12.20 H new ATOM 0 HG11 VAL A 63 11.029 -3.579 -17.151 1.00 62.32 H new ATOM 0 HG12 VAL A 63 10.682 -5.303 -16.876 1.00 62.32 H new ATOM 0 HG13 VAL A 63 10.675 -4.647 -18.530 1.00 62.32 H new ATOM 0 HG21 VAL A 63 9.219 -2.028 -17.796 1.00 42.42 H new ATOM 0 HG22 VAL A 63 8.788 -3.032 -19.201 1.00 42.42 H new ATOM 0 HG23 VAL A 63 7.552 -2.621 -17.988 1.00 42.42 H new ATOM 1033 N LEU A 64 7.803 -6.808 -15.947 1.00 33.34 N ATOM 1034 CA LEU A 64 8.088 -7.968 -15.108 1.00 45.11 C ATOM 1035 C LEU A 64 7.124 -9.109 -15.411 1.00 14.13 C ATOM 1036 O LEU A 64 7.282 -10.220 -14.903 1.00 45.25 O ATOM 1037 CB LEU A 64 7.999 -7.587 -13.630 1.00 34.05 C ATOM 1038 CG LEU A 64 8.840 -6.387 -13.192 1.00 23.33 C ATOM 1039 CD1 LEU A 64 8.149 -5.630 -12.069 1.00 73.12 C ATOM 1040 CD2 LEU A 64 10.227 -6.839 -12.759 1.00 33.41 C ATOM 0 H LEU A 64 7.027 -6.232 -15.621 1.00 33.34 H new ATOM 0 HA LEU A 64 9.101 -8.305 -15.329 1.00 45.11 H new ATOM 0 HB2 LEU A 64 6.956 -7.380 -13.391 1.00 34.05 H new ATOM 0 HB3 LEU A 64 8.297 -8.450 -13.035 1.00 34.05 H new ATOM 0 HG LEU A 64 8.947 -5.713 -14.042 1.00 23.33 H new ATOM 0 HD11 LEU A 64 8.763 -4.780 -11.771 1.00 73.12 H new ATOM 0 HD12 LEU A 64 7.178 -5.273 -12.414 1.00 73.12 H new ATOM 0 HD13 LEU A 64 8.009 -6.293 -11.215 1.00 73.12 H new ATOM 0 HD21 LEU A 64 10.812 -5.973 -12.451 1.00 33.41 H new ATOM 0 HD22 LEU A 64 10.139 -7.534 -11.924 1.00 33.41 H new ATOM 0 HD23 LEU A 64 10.725 -7.335 -13.592 1.00 33.41 H new ATOM 1052 N ASP A 65 6.126 -8.829 -16.242 1.00 31.34 N ATOM 1053 CA ASP A 65 5.137 -9.834 -16.616 1.00 34.53 C ATOM 1054 C ASP A 65 5.816 -11.099 -17.130 1.00 53.11 C ATOM 1055 O ASP A 65 5.686 -12.181 -16.556 1.00 22.11 O ATOM 1056 CB ASP A 65 4.191 -9.278 -17.680 1.00 52.11 C ATOM 1057 CG ASP A 65 2.777 -9.100 -17.163 1.00 65.35 C ATOM 1058 OD1 ASP A 65 2.297 -9.990 -16.429 1.00 4.52 O ATOM 1059 OD2 ASP A 65 2.150 -8.072 -17.492 1.00 0.12 O ATOM 0 H ASP A 65 5.980 -7.914 -16.670 1.00 31.34 H new ATOM 0 HA ASP A 65 4.560 -10.089 -15.727 1.00 34.53 H new ATOM 0 HB2 ASP A 65 4.569 -8.318 -18.032 1.00 52.11 H new ATOM 0 HB3 ASP A 65 4.179 -9.950 -18.538 1.00 52.11 H new ATOM 1064 N PRO A 66 6.556 -10.964 -18.240 1.00 64.25 N ATOM 1065 CA PRO A 66 7.269 -12.085 -18.857 1.00 65.54 C ATOM 1066 C PRO A 66 8.447 -12.560 -18.012 1.00 61.50 C ATOM 1067 O PRO A 66 8.984 -13.646 -18.233 1.00 15.11 O ATOM 1068 CB PRO A 66 7.764 -11.505 -20.185 1.00 41.41 C ATOM 1069 CG PRO A 66 7.858 -10.037 -19.944 1.00 31.32 C ATOM 1070 CD PRO A 66 6.755 -9.705 -18.978 1.00 23.30 C ATOM 0 HA PRO A 66 6.629 -12.960 -18.970 1.00 65.54 H new ATOM 0 HB2 PRO A 66 8.731 -11.923 -20.464 1.00 41.41 H new ATOM 0 HB3 PRO A 66 7.073 -11.730 -20.998 1.00 41.41 H new ATOM 0 HG2 PRO A 66 8.831 -9.771 -19.532 1.00 31.32 H new ATOM 0 HG3 PRO A 66 7.743 -9.481 -20.874 1.00 31.32 H new ATOM 0 HD2 PRO A 66 7.036 -8.889 -18.312 1.00 23.30 H new ATOM 0 HD3 PRO A 66 5.847 -9.395 -19.496 1.00 23.30 H new ATOM 1078 N MET A 67 8.843 -11.741 -17.044 1.00 51.51 N ATOM 1079 CA MET A 67 9.956 -12.078 -16.165 1.00 10.53 C ATOM 1080 C MET A 67 9.504 -13.022 -15.055 1.00 2.42 C ATOM 1081 O MET A 67 10.304 -13.783 -14.511 1.00 14.43 O ATOM 1082 CB MET A 67 10.557 -10.809 -15.559 1.00 5.34 C ATOM 1083 CG MET A 67 10.853 -9.726 -16.584 1.00 12.05 C ATOM 1084 SD MET A 67 12.055 -10.249 -17.820 1.00 63.22 S ATOM 1085 CE MET A 67 12.437 -8.685 -18.605 1.00 74.30 C ATOM 0 H MET A 67 8.409 -10.839 -16.848 1.00 51.51 H new ATOM 0 HA MET A 67 10.717 -12.583 -16.760 1.00 10.53 H new ATOM 0 HB2 MET A 67 9.869 -10.412 -14.812 1.00 5.34 H new ATOM 0 HB3 MET A 67 11.479 -11.067 -15.038 1.00 5.34 H new ATOM 0 HG2 MET A 67 9.927 -9.440 -17.082 1.00 12.05 H new ATOM 0 HG3 MET A 67 11.227 -8.839 -16.072 1.00 12.05 H new ATOM 0 HE1 MET A 67 13.170 -8.844 -19.395 1.00 74.30 H new ATOM 0 HE2 MET A 67 11.529 -8.261 -19.033 1.00 74.30 H new ATOM 0 HE3 MET A 67 12.845 -7.996 -17.865 1.00 74.30 H new ATOM 1095 N VAL A 68 8.218 -12.966 -14.723 1.00 1.43 N ATOM 1096 CA VAL A 68 7.661 -13.816 -13.678 1.00 41.32 C ATOM 1097 C VAL A 68 7.885 -15.291 -13.991 1.00 40.22 C ATOM 1098 O VAL A 68 8.498 -16.029 -13.221 1.00 5.12 O ATOM 1099 CB VAL A 68 6.152 -13.565 -13.495 1.00 2.31 C ATOM 1100 CG1 VAL A 68 5.459 -14.819 -12.985 1.00 62.43 C ATOM 1101 CG2 VAL A 68 5.918 -12.395 -12.551 1.00 74.31 C ATOM 0 H VAL A 68 7.543 -12.341 -15.163 1.00 1.43 H new ATOM 0 HA VAL A 68 8.179 -13.561 -12.754 1.00 41.32 H new ATOM 0 HB VAL A 68 5.723 -13.312 -14.465 1.00 2.31 H new ATOM 0 HG11 VAL A 68 4.394 -14.622 -12.862 1.00 62.43 H new ATOM 0 HG12 VAL A 68 5.598 -15.628 -13.702 1.00 62.43 H new ATOM 0 HG13 VAL A 68 5.888 -15.107 -12.025 1.00 62.43 H new ATOM 0 HG21 VAL A 68 4.847 -12.231 -12.433 1.00 74.31 H new ATOM 0 HG22 VAL A 68 6.360 -12.617 -11.580 1.00 74.31 H new ATOM 0 HG23 VAL A 68 6.379 -11.497 -12.963 1.00 74.31 H new ATOM 1111 N PRO A 69 7.376 -15.732 -15.151 1.00 64.52 N ATOM 1112 CA PRO A 69 7.509 -17.124 -15.595 1.00 45.25 C ATOM 1113 C PRO A 69 8.943 -17.476 -15.976 1.00 3.12 C ATOM 1114 O PRO A 69 9.222 -18.587 -16.428 1.00 2.41 O ATOM 1115 CB PRO A 69 6.598 -17.193 -16.823 1.00 32.42 C ATOM 1116 CG PRO A 69 6.540 -15.794 -17.331 1.00 43.32 C ATOM 1117 CD PRO A 69 6.634 -14.908 -16.120 1.00 22.24 C ATOM 0 HA PRO A 69 7.242 -17.830 -14.809 1.00 45.25 H new ATOM 0 HB2 PRO A 69 6.999 -17.871 -17.576 1.00 32.42 H new ATOM 0 HB3 PRO A 69 5.606 -17.560 -16.560 1.00 32.42 H new ATOM 0 HG2 PRO A 69 7.358 -15.596 -18.023 1.00 43.32 H new ATOM 0 HG3 PRO A 69 5.612 -15.615 -17.874 1.00 43.32 H new ATOM 0 HD2 PRO A 69 7.158 -13.979 -16.342 1.00 22.24 H new ATOM 0 HD3 PRO A 69 5.648 -14.636 -15.744 1.00 22.24 H new ATOM 1125 N THR A 70 9.852 -16.523 -15.790 1.00 40.11 N ATOM 1126 CA THR A 70 11.257 -16.733 -16.114 1.00 42.41 C ATOM 1127 C THR A 70 12.144 -15.719 -15.401 1.00 34.32 C ATOM 1128 O THR A 70 12.848 -14.938 -16.039 1.00 51.21 O ATOM 1129 CB THR A 70 11.504 -16.635 -17.632 1.00 72.21 C ATOM 1130 OG1 THR A 70 10.344 -17.078 -18.346 1.00 1.33 O ATOM 1131 CG2 THR A 70 12.707 -17.473 -18.040 1.00 0.23 C ATOM 0 H THR A 70 9.639 -15.598 -15.416 1.00 40.11 H new ATOM 0 HA THR A 70 11.512 -17.737 -15.775 1.00 42.41 H new ATOM 0 HB THR A 70 11.707 -15.593 -17.879 1.00 72.21 H new ATOM 0 HG1 THR A 70 10.508 -17.012 -19.310 1.00 1.33 H new ATOM 0 HG21 THR A 70 12.862 -17.388 -19.116 1.00 0.23 H new ATOM 0 HG22 THR A 70 13.594 -17.116 -17.517 1.00 0.23 H new ATOM 0 HG23 THR A 70 12.528 -18.516 -17.780 1.00 0.23 H new ATOM 1139 N GLY A 71 12.105 -15.737 -14.071 1.00 72.54 N ATOM 1140 CA GLY A 71 12.910 -14.815 -13.293 1.00 51.14 C ATOM 1141 C GLY A 71 13.174 -15.318 -11.888 1.00 52.14 C ATOM 1142 O GLY A 71 12.395 -16.104 -11.347 1.00 1.34 O ATOM 0 H GLY A 71 11.530 -16.374 -13.520 1.00 72.54 H new ATOM 0 HA2 GLY A 71 13.860 -14.650 -13.801 1.00 51.14 H new ATOM 0 HA3 GLY A 71 12.404 -13.851 -13.241 1.00 51.14 H new ATOM 1146 N SER A 72 14.275 -14.868 -11.296 1.00 53.50 N ATOM 1147 CA SER A 72 14.642 -15.282 -9.947 1.00 13.13 C ATOM 1148 C SER A 72 13.623 -14.779 -8.929 1.00 1.05 C ATOM 1149 O SER A 72 12.558 -14.284 -9.294 1.00 34.32 O ATOM 1150 CB SER A 72 16.035 -14.759 -9.592 1.00 22.40 C ATOM 1151 OG SER A 72 15.976 -13.422 -9.129 1.00 1.15 O ATOM 0 H SER A 72 14.929 -14.216 -11.729 1.00 53.50 H new ATOM 0 HA SER A 72 14.652 -16.372 -9.917 1.00 13.13 H new ATOM 0 HB2 SER A 72 16.480 -15.393 -8.825 1.00 22.40 H new ATOM 0 HB3 SER A 72 16.682 -14.816 -10.467 1.00 22.40 H new ATOM 0 HG SER A 72 16.884 -13.060 -9.059 1.00 1.15 H new ATOM 1157 N GLU A 73 13.961 -14.910 -7.649 1.00 72.24 N ATOM 1158 CA GLU A 73 13.075 -14.471 -6.577 1.00 10.33 C ATOM 1159 C GLU A 73 13.220 -12.971 -6.333 1.00 2.14 C ATOM 1160 O GLU A 73 12.284 -12.311 -5.883 1.00 60.55 O ATOM 1161 CB GLU A 73 13.376 -15.240 -5.289 1.00 2.32 C ATOM 1162 CG GLU A 73 12.189 -16.026 -4.758 1.00 72.25 C ATOM 1163 CD GLU A 73 12.221 -17.484 -5.176 1.00 11.32 C ATOM 1164 OE1 GLU A 73 13.263 -18.139 -4.962 1.00 52.43 O ATOM 1165 OE2 GLU A 73 11.206 -17.969 -5.716 1.00 74.35 O ATOM 0 H GLU A 73 14.841 -15.316 -7.330 1.00 72.24 H new ATOM 0 HA GLU A 73 12.048 -14.675 -6.881 1.00 10.33 H new ATOM 0 HB2 GLU A 73 14.203 -15.926 -5.470 1.00 2.32 H new ATOM 0 HB3 GLU A 73 13.707 -14.537 -4.525 1.00 2.32 H new ATOM 0 HG2 GLU A 73 12.174 -15.964 -3.670 1.00 72.25 H new ATOM 0 HG3 GLU A 73 11.266 -15.569 -5.116 1.00 72.25 H new ATOM 1172 N ASN A 74 14.401 -12.440 -6.632 1.00 23.33 N ATOM 1173 CA ASN A 74 14.670 -11.019 -6.444 1.00 24.32 C ATOM 1174 C ASN A 74 13.778 -10.173 -7.345 1.00 55.34 C ATOM 1175 O ASN A 74 13.511 -9.006 -7.056 1.00 11.53 O ATOM 1176 CB ASN A 74 16.142 -10.715 -6.732 1.00 60.03 C ATOM 1177 CG ASN A 74 17.082 -11.607 -5.946 1.00 21.43 C ATOM 1178 OD1 ASN A 74 16.983 -11.707 -4.723 1.00 32.41 O ATOM 1179 ND2 ASN A 74 18.002 -12.261 -6.646 1.00 52.20 N ATOM 0 H ASN A 74 15.187 -12.972 -7.005 1.00 23.33 H new ATOM 0 HA ASN A 74 14.450 -10.767 -5.407 1.00 24.32 H new ATOM 0 HB2 ASN A 74 16.334 -10.840 -7.798 1.00 60.03 H new ATOM 0 HB3 ASN A 74 16.349 -9.672 -6.491 1.00 60.03 H new ATOM 0 HD21 ASN A 74 18.663 -12.876 -6.171 1.00 52.20 H new ATOM 0 HD22 ASN A 74 18.048 -12.148 -7.659 1.00 52.20 H new ATOM 1186 N LEU A 75 13.318 -10.768 -8.441 1.00 4.30 N ATOM 1187 CA LEU A 75 12.454 -10.070 -9.386 1.00 51.44 C ATOM 1188 C LEU A 75 10.984 -10.341 -9.083 1.00 53.43 C ATOM 1189 O LEU A 75 10.199 -9.413 -8.883 1.00 75.34 O ATOM 1190 CB LEU A 75 12.779 -10.499 -10.818 1.00 32.12 C ATOM 1191 CG LEU A 75 11.723 -10.170 -11.874 1.00 23.32 C ATOM 1192 CD1 LEU A 75 12.377 -9.597 -13.122 1.00 70.31 C ATOM 1193 CD2 LEU A 75 10.907 -11.408 -12.217 1.00 31.12 C ATOM 0 H LEU A 75 13.529 -11.733 -8.697 1.00 4.30 H new ATOM 0 HA LEU A 75 12.636 -9.000 -9.284 1.00 51.44 H new ATOM 0 HB2 LEU A 75 13.717 -10.029 -11.113 1.00 32.12 H new ATOM 0 HB3 LEU A 75 12.947 -11.576 -10.824 1.00 32.12 H new ATOM 0 HG LEU A 75 11.049 -9.418 -11.464 1.00 23.32 H new ATOM 0 HD11 LEU A 75 11.610 -9.369 -13.862 1.00 70.31 H new ATOM 0 HD12 LEU A 75 12.916 -8.685 -12.864 1.00 70.31 H new ATOM 0 HD13 LEU A 75 13.074 -10.326 -13.535 1.00 70.31 H new ATOM 0 HD21 LEU A 75 10.161 -11.155 -12.970 1.00 31.12 H new ATOM 0 HD22 LEU A 75 11.567 -12.183 -12.607 1.00 31.12 H new ATOM 0 HD23 LEU A 75 10.408 -11.775 -11.320 1.00 31.12 H new ATOM 1205 N LYS A 76 10.617 -11.617 -9.049 1.00 63.30 N ATOM 1206 CA LYS A 76 9.243 -12.011 -8.767 1.00 74.52 C ATOM 1207 C LYS A 76 8.724 -11.319 -7.511 1.00 21.24 C ATOM 1208 O LYS A 76 7.550 -10.961 -7.427 1.00 72.44 O ATOM 1209 CB LYS A 76 9.150 -13.530 -8.599 1.00 64.12 C ATOM 1210 CG LYS A 76 8.092 -14.176 -9.477 1.00 53.30 C ATOM 1211 CD LYS A 76 7.183 -15.090 -8.673 1.00 1.11 C ATOM 1212 CE LYS A 76 7.701 -16.520 -8.660 1.00 75.24 C ATOM 1213 NZ LYS A 76 7.960 -17.004 -7.276 1.00 62.54 N ATOM 0 H LYS A 76 11.253 -12.397 -9.214 1.00 63.30 H new ATOM 0 HA LYS A 76 8.625 -11.705 -9.611 1.00 74.52 H new ATOM 0 HB2 LYS A 76 10.120 -13.972 -8.828 1.00 64.12 H new ATOM 0 HB3 LYS A 76 8.933 -13.759 -7.556 1.00 64.12 H new ATOM 0 HG2 LYS A 76 7.496 -13.402 -9.960 1.00 53.30 H new ATOM 0 HG3 LYS A 76 8.575 -14.747 -10.270 1.00 53.30 H new ATOM 0 HD2 LYS A 76 7.106 -14.720 -7.650 1.00 1.11 H new ATOM 0 HD3 LYS A 76 6.179 -15.070 -9.096 1.00 1.11 H new ATOM 0 HE2 LYS A 76 6.975 -17.174 -9.143 1.00 75.24 H new ATOM 0 HE3 LYS A 76 8.620 -16.579 -9.243 1.00 75.24 H new ATOM 0 HZ1 LYS A 76 8.312 -17.982 -7.310 1.00 62.54 H new ATOM 0 HZ2 LYS A 76 8.672 -16.396 -6.823 1.00 62.54 H new ATOM 0 HZ3 LYS A 76 7.078 -16.973 -6.726 1.00 62.54 H new ATOM 1227 N SER A 77 9.609 -11.131 -6.536 1.00 73.01 N ATOM 1228 CA SER A 77 9.240 -10.483 -5.283 1.00 2.12 C ATOM 1229 C SER A 77 8.600 -9.123 -5.543 1.00 10.30 C ATOM 1230 O SER A 77 7.514 -8.828 -5.043 1.00 74.44 O ATOM 1231 CB SER A 77 10.470 -10.318 -4.388 1.00 60.12 C ATOM 1232 OG SER A 77 10.789 -11.532 -3.732 1.00 31.24 O ATOM 0 H SER A 77 10.586 -11.418 -6.590 1.00 73.01 H new ATOM 0 HA SER A 77 8.513 -11.116 -4.775 1.00 2.12 H new ATOM 0 HB2 SER A 77 11.319 -9.991 -4.988 1.00 60.12 H new ATOM 0 HB3 SER A 77 10.284 -9.539 -3.648 1.00 60.12 H new ATOM 0 HG SER A 77 11.366 -12.074 -4.310 1.00 31.24 H new ATOM 1238 N LEU A 78 9.281 -8.296 -6.330 1.00 14.12 N ATOM 1239 CA LEU A 78 8.781 -6.966 -6.659 1.00 0.45 C ATOM 1240 C LEU A 78 7.468 -7.053 -7.430 1.00 12.24 C ATOM 1241 O LEU A 78 6.545 -6.272 -7.195 1.00 52.40 O ATOM 1242 CB LEU A 78 9.817 -6.198 -7.479 1.00 45.14 C ATOM 1243 CG LEU A 78 9.332 -4.903 -8.133 1.00 32.01 C ATOM 1244 CD1 LEU A 78 9.017 -3.857 -7.074 1.00 61.32 C ATOM 1245 CD2 LEU A 78 10.370 -4.378 -9.113 1.00 2.14 C ATOM 0 H LEU A 78 10.181 -8.524 -6.752 1.00 14.12 H new ATOM 0 HA LEU A 78 8.598 -6.433 -5.726 1.00 0.45 H new ATOM 0 HB2 LEU A 78 10.660 -5.960 -6.830 1.00 45.14 H new ATOM 0 HB3 LEU A 78 10.193 -6.858 -8.261 1.00 45.14 H new ATOM 0 HG LEU A 78 8.418 -5.118 -8.686 1.00 32.01 H new ATOM 0 HD11 LEU A 78 8.673 -2.942 -7.557 1.00 61.32 H new ATOM 0 HD12 LEU A 78 8.237 -4.233 -6.412 1.00 61.32 H new ATOM 0 HD13 LEU A 78 9.915 -3.645 -6.493 1.00 61.32 H new ATOM 0 HD21 LEU A 78 10.007 -3.456 -9.568 1.00 2.14 H new ATOM 0 HD22 LEU A 78 11.302 -4.179 -8.584 1.00 2.14 H new ATOM 0 HD23 LEU A 78 10.546 -5.122 -9.890 1.00 2.14 H new ATOM 1257 N PHE A 79 7.389 -8.010 -8.348 1.00 44.33 N ATOM 1258 CA PHE A 79 6.189 -8.200 -9.153 1.00 41.32 C ATOM 1259 C PHE A 79 4.971 -8.443 -8.266 1.00 23.51 C ATOM 1260 O PHE A 79 3.865 -8.008 -8.580 1.00 1.31 O ATOM 1261 CB PHE A 79 6.375 -9.375 -10.115 1.00 72.34 C ATOM 1262 CG PHE A 79 5.132 -9.725 -10.882 1.00 20.42 C ATOM 1263 CD1 PHE A 79 4.839 -9.094 -12.080 1.00 63.20 C ATOM 1264 CD2 PHE A 79 4.255 -10.687 -10.404 1.00 3.40 C ATOM 1265 CE1 PHE A 79 3.696 -9.414 -12.788 1.00 61.30 C ATOM 1266 CE2 PHE A 79 3.111 -11.011 -11.107 1.00 72.02 C ATOM 1267 CZ PHE A 79 2.830 -10.373 -12.300 1.00 61.15 C ATOM 0 H PHE A 79 8.142 -8.666 -8.553 1.00 44.33 H new ATOM 0 HA PHE A 79 6.021 -7.290 -9.729 1.00 41.32 H new ATOM 0 HB2 PHE A 79 7.171 -9.135 -10.819 1.00 72.34 H new ATOM 0 HB3 PHE A 79 6.702 -10.248 -9.550 1.00 72.34 H new ATOM 0 HD1 PHE A 79 5.512 -8.343 -12.466 1.00 63.20 H new ATOM 0 HD2 PHE A 79 4.469 -11.188 -9.472 1.00 3.40 H new ATOM 0 HE1 PHE A 79 3.480 -8.915 -13.721 1.00 61.30 H new ATOM 0 HE2 PHE A 79 2.436 -11.763 -10.724 1.00 72.02 H new ATOM 0 HZ PHE A 79 1.935 -10.624 -12.850 1.00 61.15 H new ATOM 1277 N ASN A 80 5.187 -9.142 -7.156 1.00 35.02 N ATOM 1278 CA ASN A 80 4.107 -9.446 -6.223 1.00 13.44 C ATOM 1279 C ASN A 80 3.584 -8.172 -5.564 1.00 72.14 C ATOM 1280 O ASN A 80 2.392 -8.053 -5.277 1.00 23.04 O ATOM 1281 CB ASN A 80 4.591 -10.425 -5.151 1.00 41.51 C ATOM 1282 CG ASN A 80 3.914 -11.777 -5.256 1.00 72.21 C ATOM 1283 OD1 ASN A 80 3.386 -12.297 -4.272 1.00 63.15 O ATOM 1284 ND2 ASN A 80 3.926 -12.353 -6.452 1.00 35.40 N ATOM 0 H ASN A 80 6.098 -9.508 -6.881 1.00 35.02 H new ATOM 0 HA ASN A 80 3.294 -9.905 -6.785 1.00 13.44 H new ATOM 0 HB2 ASN A 80 5.670 -10.554 -5.241 1.00 41.51 H new ATOM 0 HB3 ASN A 80 4.401 -10.002 -4.164 1.00 41.51 H new ATOM 0 HD21 ASN A 80 3.486 -13.264 -6.584 1.00 35.40 H new ATOM 0 HD22 ASN A 80 4.375 -11.885 -7.239 1.00 35.40 H new ATOM 1291 N THR A 81 4.483 -7.221 -5.329 1.00 60.22 N ATOM 1292 CA THR A 81 4.113 -5.957 -4.706 1.00 25.03 C ATOM 1293 C THR A 81 3.473 -5.012 -5.716 1.00 24.15 C ATOM 1294 O THR A 81 2.460 -4.374 -5.429 1.00 21.11 O ATOM 1295 CB THR A 81 5.335 -5.264 -4.073 1.00 50.13 C ATOM 1296 OG1 THR A 81 5.902 -6.101 -3.059 1.00 1.15 O ATOM 1297 CG2 THR A 81 4.945 -3.922 -3.473 1.00 22.54 C ATOM 0 H THR A 81 5.473 -7.303 -5.561 1.00 60.22 H new ATOM 0 HA THR A 81 3.391 -6.190 -3.923 1.00 25.03 H new ATOM 0 HB THR A 81 6.074 -5.092 -4.855 1.00 50.13 H new ATOM 0 HG1 THR A 81 6.679 -5.654 -2.663 1.00 1.15 H new ATOM 0 HG21 THR A 81 5.824 -3.451 -3.032 1.00 22.54 H new ATOM 0 HG22 THR A 81 4.542 -3.278 -4.254 1.00 22.54 H new ATOM 0 HG23 THR A 81 4.189 -4.074 -2.702 1.00 22.54 H new ATOM 1305 N VAL A 82 4.071 -4.926 -6.899 1.00 63.03 N ATOM 1306 CA VAL A 82 3.557 -4.059 -7.954 1.00 22.43 C ATOM 1307 C VAL A 82 2.106 -4.392 -8.281 1.00 51.23 C ATOM 1308 O VAL A 82 1.308 -3.504 -8.582 1.00 53.35 O ATOM 1309 CB VAL A 82 4.402 -4.176 -9.237 1.00 53.24 C ATOM 1310 CG1 VAL A 82 3.901 -3.204 -10.295 1.00 53.23 C ATOM 1311 CG2 VAL A 82 5.872 -3.934 -8.931 1.00 53.50 C ATOM 0 H VAL A 82 4.912 -5.445 -7.152 1.00 63.03 H new ATOM 0 HA VAL A 82 3.616 -3.037 -7.581 1.00 22.43 H new ATOM 0 HB VAL A 82 4.299 -5.188 -9.629 1.00 53.24 H new ATOM 0 HG11 VAL A 82 4.509 -3.300 -11.194 1.00 53.23 H new ATOM 0 HG12 VAL A 82 2.862 -3.430 -10.534 1.00 53.23 H new ATOM 0 HG13 VAL A 82 3.973 -2.185 -9.916 1.00 53.23 H new ATOM 0 HG21 VAL A 82 6.454 -4.021 -9.849 1.00 53.50 H new ATOM 0 HG22 VAL A 82 5.997 -2.934 -8.515 1.00 53.50 H new ATOM 0 HG23 VAL A 82 6.220 -4.673 -8.210 1.00 53.50 H new ATOM 1321 N CYS A 83 1.772 -5.676 -8.218 1.00 55.20 N ATOM 1322 CA CYS A 83 0.415 -6.127 -8.508 1.00 40.41 C ATOM 1323 C CYS A 83 -0.570 -5.591 -7.474 1.00 22.11 C ATOM 1324 O CYS A 83 -1.714 -5.274 -7.796 1.00 51.02 O ATOM 1325 CB CYS A 83 0.359 -7.655 -8.540 1.00 33.43 C ATOM 1326 SG CYS A 83 0.879 -8.380 -10.112 1.00 22.23 S ATOM 0 H CYS A 83 2.421 -6.423 -7.969 1.00 55.20 H new ATOM 0 HA CYS A 83 0.132 -5.740 -9.487 1.00 40.41 H new ATOM 0 HB2 CYS A 83 0.992 -8.048 -7.744 1.00 33.43 H new ATOM 0 HB3 CYS A 83 -0.660 -7.975 -8.324 1.00 33.43 H new ATOM 0 HG CYS A 83 1.888 -9.174 -9.911 1.00 22.23 H new ATOM 1332 N VAL A 84 -0.116 -5.494 -6.228 1.00 3.11 N ATOM 1333 CA VAL A 84 -0.956 -4.997 -5.145 1.00 53.12 C ATOM 1334 C VAL A 84 -1.069 -3.477 -5.190 1.00 54.01 C ATOM 1335 O VAL A 84 -2.166 -2.929 -5.302 1.00 32.21 O ATOM 1336 CB VAL A 84 -0.407 -5.419 -3.769 1.00 71.13 C ATOM 1337 CG1 VAL A 84 -1.260 -4.837 -2.652 1.00 63.43 C ATOM 1338 CG2 VAL A 84 -0.339 -6.935 -3.666 1.00 74.44 C ATOM 0 H VAL A 84 0.829 -5.753 -5.944 1.00 3.11 H new ATOM 0 HA VAL A 84 -1.944 -5.436 -5.284 1.00 53.12 H new ATOM 0 HB VAL A 84 0.604 -5.025 -3.663 1.00 71.13 H new ATOM 0 HG11 VAL A 84 -0.857 -5.146 -1.688 1.00 63.43 H new ATOM 0 HG12 VAL A 84 -1.252 -3.749 -2.717 1.00 63.43 H new ATOM 0 HG13 VAL A 84 -2.284 -5.199 -2.750 1.00 63.43 H new ATOM 0 HG21 VAL A 84 0.051 -7.216 -2.688 1.00 74.44 H new ATOM 0 HG22 VAL A 84 -1.338 -7.353 -3.792 1.00 74.44 H new ATOM 0 HG23 VAL A 84 0.318 -7.323 -4.444 1.00 74.44 H new ATOM 1348 N ILE A 85 0.071 -2.802 -5.103 1.00 42.14 N ATOM 1349 CA ILE A 85 0.100 -1.345 -5.136 1.00 45.20 C ATOM 1350 C ILE A 85 -0.814 -0.801 -6.229 1.00 3.15 C ATOM 1351 O ILE A 85 -1.466 0.228 -6.051 1.00 42.41 O ATOM 1352 CB ILE A 85 1.528 -0.815 -5.366 1.00 73.43 C ATOM 1353 CG1 ILE A 85 2.453 -1.270 -4.235 1.00 73.04 C ATOM 1354 CG2 ILE A 85 1.519 0.702 -5.473 1.00 41.32 C ATOM 1355 CD1 ILE A 85 2.250 -0.507 -2.945 1.00 52.12 C ATOM 0 H ILE A 85 0.987 -3.240 -5.009 1.00 42.14 H new ATOM 0 HA ILE A 85 -0.255 -1.001 -4.164 1.00 45.20 H new ATOM 0 HB ILE A 85 1.905 -1.223 -6.304 1.00 73.43 H new ATOM 0 HG12 ILE A 85 2.291 -2.332 -4.049 1.00 73.04 H new ATOM 0 HG13 ILE A 85 3.489 -1.157 -4.556 1.00 73.04 H new ATOM 0 HG21 ILE A 85 2.535 1.061 -5.635 1.00 41.32 H new ATOM 0 HG22 ILE A 85 0.889 1.004 -6.310 1.00 41.32 H new ATOM 0 HG23 ILE A 85 1.126 1.129 -4.551 1.00 41.32 H new ATOM 0 HD11 ILE A 85 2.939 -0.882 -2.188 1.00 52.12 H new ATOM 0 HD12 ILE A 85 2.440 0.553 -3.115 1.00 52.12 H new ATOM 0 HD13 ILE A 85 1.224 -0.641 -2.601 1.00 52.12 H new ATOM 1367 N TRP A 86 -0.859 -1.500 -7.357 1.00 62.30 N ATOM 1368 CA TRP A 86 -1.695 -1.088 -8.478 1.00 61.35 C ATOM 1369 C TRP A 86 -3.173 -1.170 -8.113 1.00 12.51 C ATOM 1370 O TRP A 86 -3.923 -0.211 -8.305 1.00 23.14 O ATOM 1371 CB TRP A 86 -1.410 -1.961 -9.701 1.00 73.44 C ATOM 1372 CG TRP A 86 -2.206 -1.568 -10.910 1.00 24.35 C ATOM 1373 CD1 TRP A 86 -1.818 -0.715 -11.903 1.00 53.51 C ATOM 1374 CD2 TRP A 86 -3.523 -2.013 -11.250 1.00 23.40 C ATOM 1375 NE1 TRP A 86 -2.817 -0.602 -12.841 1.00 10.55 N ATOM 1376 CE2 TRP A 86 -3.873 -1.389 -12.464 1.00 2.14 C ATOM 1377 CE3 TRP A 86 -4.440 -2.879 -10.650 1.00 34.31 C ATOM 1378 CZ2 TRP A 86 -5.100 -1.604 -13.084 1.00 62.35 C ATOM 1379 CZ3 TRP A 86 -5.658 -3.092 -11.267 1.00 11.50 C ATOM 1380 CH2 TRP A 86 -5.979 -2.457 -12.475 1.00 31.54 C ATOM 0 H TRP A 86 -0.326 -2.355 -7.520 1.00 62.30 H new ATOM 0 HA TRP A 86 -1.456 -0.052 -8.716 1.00 61.35 H new ATOM 0 HB2 TRP A 86 -0.348 -1.904 -9.940 1.00 73.44 H new ATOM 0 HB3 TRP A 86 -1.626 -3.001 -9.455 1.00 73.44 H new ATOM 0 HD1 TRP A 86 -0.867 -0.205 -11.945 1.00 53.51 H new ATOM 0 HE1 TRP A 86 -2.778 -0.025 -13.682 1.00 10.55 H new ATOM 0 HE3 TRP A 86 -4.201 -3.374 -9.720 1.00 34.31 H new ATOM 0 HZ2 TRP A 86 -5.350 -1.114 -14.014 1.00 62.35 H new ATOM 0 HZ3 TRP A 86 -6.375 -3.759 -10.811 1.00 11.50 H new ATOM 0 HH2 TRP A 86 -6.939 -2.645 -12.934 1.00 31.54 H new ATOM 1391 N CYS A 87 -3.585 -2.318 -7.588 1.00 55.32 N ATOM 1392 CA CYS A 87 -4.976 -2.524 -7.196 1.00 52.20 C ATOM 1393 C CYS A 87 -5.467 -1.382 -6.311 1.00 23.32 C ATOM 1394 O CYS A 87 -6.538 -0.820 -6.542 1.00 63.45 O ATOM 1395 CB CYS A 87 -5.129 -3.857 -6.463 1.00 1.20 C ATOM 1396 SG CYS A 87 -5.100 -5.304 -7.547 1.00 2.25 S ATOM 0 H CYS A 87 -2.977 -3.120 -7.424 1.00 55.32 H new ATOM 0 HA CYS A 87 -5.584 -2.544 -8.101 1.00 52.20 H new ATOM 0 HB2 CYS A 87 -4.328 -3.950 -5.730 1.00 1.20 H new ATOM 0 HB3 CYS A 87 -6.068 -3.849 -5.910 1.00 1.20 H new ATOM 0 HG CYS A 87 -3.876 -5.549 -7.911 1.00 2.25 H new ATOM 1402 N ILE A 88 -4.677 -1.047 -5.296 1.00 71.20 N ATOM 1403 CA ILE A 88 -5.032 0.027 -4.376 1.00 64.54 C ATOM 1404 C ILE A 88 -5.448 1.284 -5.131 1.00 44.14 C ATOM 1405 O ILE A 88 -6.355 2.003 -4.712 1.00 34.32 O ATOM 1406 CB ILE A 88 -3.862 0.371 -3.435 1.00 24.12 C ATOM 1407 CG1 ILE A 88 -3.448 -0.862 -2.628 1.00 30.33 C ATOM 1408 CG2 ILE A 88 -4.247 1.513 -2.508 1.00 4.55 C ATOM 1409 CD1 ILE A 88 -2.095 -0.725 -1.967 1.00 20.21 C ATOM 0 H ILE A 88 -3.788 -1.503 -5.090 1.00 71.20 H new ATOM 0 HA ILE A 88 -5.873 -0.332 -3.782 1.00 64.54 H new ATOM 0 HB ILE A 88 -3.011 0.689 -4.038 1.00 24.12 H new ATOM 0 HG12 ILE A 88 -4.200 -1.054 -1.862 1.00 30.33 H new ATOM 0 HG13 ILE A 88 -3.435 -1.730 -3.287 1.00 30.33 H new ATOM 0 HG21 ILE A 88 -3.410 1.745 -1.849 1.00 4.55 H new ATOM 0 HG22 ILE A 88 -4.497 2.393 -3.100 1.00 4.55 H new ATOM 0 HG23 ILE A 88 -5.110 1.221 -1.910 1.00 4.55 H new ATOM 0 HD11 ILE A 88 -1.867 -1.635 -1.413 1.00 20.21 H new ATOM 0 HD12 ILE A 88 -1.332 -0.563 -2.729 1.00 20.21 H new ATOM 0 HD13 ILE A 88 -2.109 0.123 -1.282 1.00 20.21 H new ATOM 1421 N HIS A 89 -4.779 1.544 -6.252 1.00 31.23 N ATOM 1422 CA HIS A 89 -5.080 2.713 -7.069 1.00 51.50 C ATOM 1423 C HIS A 89 -6.276 2.445 -7.979 1.00 5.21 C ATOM 1424 O HIS A 89 -7.042 3.383 -8.198 1.00 50.41 O ATOM 1425 CB HIS A 89 -3.863 3.104 -7.908 1.00 73.33 C ATOM 1426 CG HIS A 89 -2.670 3.490 -7.089 1.00 10.23 C ATOM 1427 ND1 HIS A 89 -2.727 4.415 -6.068 1.00 31.43 N ATOM 1428 CD2 HIS A 89 -1.384 3.072 -7.145 1.00 70.14 C ATOM 1429 CE1 HIS A 89 -1.527 4.548 -5.531 1.00 50.32 C ATOM 1430 NE2 HIS A 89 -0.694 3.743 -6.167 1.00 11.40 N ATOM 0 H HIS A 89 -4.025 0.960 -6.614 1.00 31.23 H new ATOM 0 HA HIS A 89 -5.330 3.538 -6.401 1.00 51.50 H new ATOM 0 HB2 HIS A 89 -3.594 2.269 -8.555 1.00 73.33 H new ATOM 0 HB3 HIS A 89 -4.132 3.937 -8.558 1.00 73.33 H new ATOM 0 HD2 HIS A 89 -0.976 2.345 -7.832 1.00 70.14 H new ATOM 0 HE1 HIS A 89 -1.271 5.203 -4.712 1.00 50.32 H new ATOM 0 HE2 HIS A 89 0.300 3.638 -5.964 1.00 11.40 H new ATOM 1438 N ALA A 90 -6.449 1.234 -8.498 1.00 22.54 N ATOM 1439 CA ALA A 90 -7.575 0.930 -9.370 1.00 74.11 C ATOM 1440 C ALA A 90 -8.815 0.565 -8.560 1.00 45.13 C ATOM 1441 O ALA A 90 -9.822 0.128 -9.114 1.00 74.55 O ATOM 1442 CB ALA A 90 -7.215 -0.199 -10.324 1.00 71.04 C ATOM 0 H ALA A 90 -5.822 0.447 -8.329 1.00 22.54 H new ATOM 0 HA ALA A 90 -7.803 1.823 -9.951 1.00 74.11 H new ATOM 0 HB1 ALA A 90 -8.066 -0.415 -10.970 1.00 71.04 H new ATOM 0 HB2 ALA A 90 -6.363 0.099 -10.935 1.00 71.04 H new ATOM 0 HB3 ALA A 90 -6.958 -1.091 -9.752 1.00 71.04 H new ATOM 1448 N GLU A 91 -8.732 0.748 -7.246 1.00 23.42 N ATOM 1449 CA GLU A 91 -9.848 0.436 -6.361 1.00 21.45 C ATOM 1450 C GLU A 91 -10.207 -1.046 -6.439 1.00 13.31 C ATOM 1451 O GLU A 91 -11.354 -1.402 -6.707 1.00 24.51 O ATOM 1452 CB GLU A 91 -11.066 1.287 -6.719 1.00 13.23 C ATOM 1453 CG GLU A 91 -11.940 1.632 -5.525 1.00 54.42 C ATOM 1454 CD GLU A 91 -11.900 3.108 -5.179 1.00 51.34 C ATOM 1455 OE1 GLU A 91 -10.847 3.742 -5.401 1.00 62.44 O ATOM 1456 OE2 GLU A 91 -12.922 3.630 -4.687 1.00 43.43 O ATOM 0 H GLU A 91 -7.905 1.110 -6.771 1.00 23.42 H new ATOM 0 HA GLU A 91 -9.543 0.665 -5.340 1.00 21.45 H new ATOM 0 HB2 GLU A 91 -10.728 2.210 -7.190 1.00 13.23 H new ATOM 0 HB3 GLU A 91 -11.667 0.754 -7.456 1.00 13.23 H new ATOM 0 HG2 GLU A 91 -12.969 1.340 -5.736 1.00 54.42 H new ATOM 0 HG3 GLU A 91 -11.615 1.051 -4.662 1.00 54.42 H new ATOM 1463 N GLU A 92 -9.218 -1.902 -6.204 1.00 61.44 N ATOM 1464 CA GLU A 92 -9.430 -3.344 -6.251 1.00 23.24 C ATOM 1465 C GLU A 92 -9.097 -3.987 -4.907 1.00 42.41 C ATOM 1466 O GLU A 92 -7.968 -3.894 -4.424 1.00 20.42 O ATOM 1467 CB GLU A 92 -8.576 -3.972 -7.354 1.00 0.00 C ATOM 1468 CG GLU A 92 -9.228 -3.932 -8.725 1.00 42.01 C ATOM 1469 CD GLU A 92 -10.229 -5.053 -8.928 1.00 64.35 C ATOM 1470 OE1 GLU A 92 -10.806 -5.523 -7.926 1.00 14.22 O ATOM 1471 OE2 GLU A 92 -10.436 -5.460 -10.091 1.00 44.43 O ATOM 0 H GLU A 92 -8.263 -1.623 -5.979 1.00 61.44 H new ATOM 0 HA GLU A 92 -10.483 -3.523 -6.470 1.00 23.24 H new ATOM 0 HB2 GLU A 92 -7.619 -3.453 -7.401 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -8.364 -5.009 -7.092 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -9.730 -2.973 -8.857 1.00 42.01 H new ATOM 0 HG3 GLU A 92 -8.456 -3.996 -9.492 1.00 42.01 H new ATOM 1478 N LYS A 93 -10.089 -4.637 -4.306 1.00 44.32 N ATOM 1479 CA LYS A 93 -9.903 -5.294 -3.019 1.00 71.54 C ATOM 1480 C LYS A 93 -9.466 -6.744 -3.207 1.00 4.12 C ATOM 1481 O LYS A 93 -10.174 -7.542 -3.821 1.00 50.12 O ATOM 1482 CB LYS A 93 -11.198 -5.244 -2.205 1.00 54.14 C ATOM 1483 CG LYS A 93 -11.307 -4.020 -1.312 1.00 34.42 C ATOM 1484 CD LYS A 93 -12.752 -3.722 -0.949 1.00 50.43 C ATOM 1485 CE LYS A 93 -12.880 -2.397 -0.213 1.00 25.23 C ATOM 1486 NZ LYS A 93 -12.795 -1.235 -1.141 1.00 72.32 N ATOM 0 H LYS A 93 -11.030 -4.722 -4.691 1.00 44.32 H new ATOM 0 HA LYS A 93 -9.120 -4.763 -2.478 1.00 71.54 H new ATOM 0 HB2 LYS A 93 -12.048 -5.262 -2.888 1.00 54.14 H new ATOM 0 HB3 LYS A 93 -11.265 -6.140 -1.589 1.00 54.14 H new ATOM 0 HG2 LYS A 93 -10.728 -4.179 -0.402 1.00 34.42 H new ATOM 0 HG3 LYS A 93 -10.873 -3.158 -1.819 1.00 34.42 H new ATOM 0 HD2 LYS A 93 -13.358 -3.696 -1.855 1.00 50.43 H new ATOM 0 HD3 LYS A 93 -13.145 -4.525 -0.325 1.00 50.43 H new ATOM 0 HE2 LYS A 93 -13.831 -2.368 0.319 1.00 25.23 H new ATOM 0 HE3 LYS A 93 -12.093 -2.321 0.537 1.00 25.23 H new ATOM 0 HZ1 LYS A 93 -12.887 -0.351 -0.600 1.00 72.32 H new ATOM 0 HZ2 LYS A 93 -11.877 -1.248 -1.630 1.00 72.32 H new ATOM 0 HZ3 LYS A 93 -13.562 -1.293 -1.841 1.00 72.32 H new ATOM 1500 N VAL A 94 -8.295 -7.078 -2.673 1.00 41.03 N ATOM 1501 CA VAL A 94 -7.765 -8.432 -2.780 1.00 60.11 C ATOM 1502 C VAL A 94 -7.354 -8.971 -1.415 1.00 2.12 C ATOM 1503 O VAL A 94 -6.672 -8.292 -0.646 1.00 31.12 O ATOM 1504 CB VAL A 94 -6.551 -8.487 -3.727 1.00 51.04 C ATOM 1505 CG1 VAL A 94 -6.971 -8.154 -5.151 1.00 63.35 C ATOM 1506 CG2 VAL A 94 -5.460 -7.542 -3.249 1.00 2.51 C ATOM 0 H VAL A 94 -7.696 -6.430 -2.162 1.00 41.03 H new ATOM 0 HA VAL A 94 -8.563 -9.052 -3.188 1.00 60.11 H new ATOM 0 HB VAL A 94 -6.150 -9.501 -3.719 1.00 51.04 H new ATOM 0 HG11 VAL A 94 -6.101 -8.198 -5.806 1.00 63.35 H new ATOM 0 HG12 VAL A 94 -7.716 -8.874 -5.488 1.00 63.35 H new ATOM 0 HG13 VAL A 94 -7.397 -7.151 -5.180 1.00 63.35 H new ATOM 0 HG21 VAL A 94 -4.610 -7.594 -3.929 1.00 2.51 H new ATOM 0 HG22 VAL A 94 -5.846 -6.523 -3.227 1.00 2.51 H new ATOM 0 HG23 VAL A 94 -5.141 -7.831 -2.248 1.00 2.51 H new ATOM 1516 N LYS A 95 -7.773 -10.197 -1.118 1.00 24.02 N ATOM 1517 CA LYS A 95 -7.448 -10.830 0.155 1.00 51.40 C ATOM 1518 C LYS A 95 -5.969 -11.198 0.217 1.00 72.22 C ATOM 1519 O LYS A 95 -5.354 -11.157 1.283 1.00 45.42 O ATOM 1520 CB LYS A 95 -8.306 -12.080 0.360 1.00 63.40 C ATOM 1521 CG LYS A 95 -9.084 -12.077 1.664 1.00 60.12 C ATOM 1522 CD LYS A 95 -9.575 -13.470 2.024 1.00 45.10 C ATOM 1523 CE LYS A 95 -10.961 -13.428 2.648 1.00 72.41 C ATOM 1524 NZ LYS A 95 -10.897 -13.303 4.131 1.00 32.21 N ATOM 0 H LYS A 95 -8.339 -10.772 -1.742 1.00 24.02 H new ATOM 0 HA LYS A 95 -7.660 -10.117 0.952 1.00 51.40 H new ATOM 0 HB2 LYS A 95 -9.006 -12.170 -0.471 1.00 63.40 H new ATOM 0 HB3 LYS A 95 -7.663 -12.960 0.332 1.00 63.40 H new ATOM 0 HG2 LYS A 95 -8.451 -11.695 2.465 1.00 60.12 H new ATOM 0 HG3 LYS A 95 -9.935 -11.401 1.580 1.00 60.12 H new ATOM 0 HD2 LYS A 95 -9.596 -14.092 1.129 1.00 45.10 H new ATOM 0 HD3 LYS A 95 -8.876 -13.935 2.719 1.00 45.10 H new ATOM 0 HE2 LYS A 95 -11.520 -12.587 2.236 1.00 72.41 H new ATOM 0 HE3 LYS A 95 -11.506 -14.334 2.383 1.00 72.41 H new ATOM 0 HZ1 LYS A 95 -11.862 -13.278 4.519 1.00 32.21 H new ATOM 0 HZ2 LYS A 95 -10.386 -14.118 4.526 1.00 32.21 H new ATOM 0 HZ3 LYS A 95 -10.399 -12.426 4.384 1.00 32.21 H new ATOM 1538 N ASP A 96 -5.405 -11.557 -0.930 1.00 41.42 N ATOM 1539 CA ASP A 96 -3.997 -11.931 -1.007 1.00 14.30 C ATOM 1540 C ASP A 96 -3.346 -11.343 -2.255 1.00 63.12 C ATOM 1541 O ASP A 96 -3.954 -10.546 -2.970 1.00 54.43 O ATOM 1542 CB ASP A 96 -3.851 -13.453 -1.009 1.00 73.21 C ATOM 1543 CG ASP A 96 -4.590 -14.104 -2.161 1.00 65.55 C ATOM 1544 OD1 ASP A 96 -4.000 -14.219 -3.256 1.00 44.41 O ATOM 1545 OD2 ASP A 96 -5.758 -14.500 -1.969 1.00 3.32 O ATOM 0 H ASP A 96 -5.901 -11.597 -1.820 1.00 41.42 H new ATOM 0 HA ASP A 96 -3.491 -11.527 -0.131 1.00 14.30 H new ATOM 0 HB2 ASP A 96 -2.794 -13.714 -1.066 1.00 73.21 H new ATOM 0 HB3 ASP A 96 -4.228 -13.852 -0.067 1.00 73.21 H new ATOM 1550 N THR A 97 -2.104 -11.741 -2.511 1.00 23.12 N ATOM 1551 CA THR A 97 -1.369 -11.252 -3.671 1.00 4.12 C ATOM 1552 C THR A 97 -1.685 -12.081 -4.911 1.00 5.12 C ATOM 1553 O THR A 97 -1.790 -11.547 -6.014 1.00 2.44 O ATOM 1554 CB THR A 97 0.152 -11.278 -3.424 1.00 14.45 C ATOM 1555 OG1 THR A 97 0.485 -10.416 -2.330 1.00 45.11 O ATOM 1556 CG2 THR A 97 0.910 -10.841 -4.669 1.00 34.41 C ATOM 0 H THR A 97 -1.586 -12.401 -1.931 1.00 23.12 H new ATOM 0 HA THR A 97 -1.686 -10.222 -3.835 1.00 4.12 H new ATOM 0 HB THR A 97 0.441 -12.301 -3.182 1.00 14.45 H new ATOM 0 HG1 THR A 97 -0.102 -10.611 -1.570 1.00 45.11 H new ATOM 0 HG21 THR A 97 1.981 -10.867 -4.471 1.00 34.41 H new ATOM 0 HG22 THR A 97 0.677 -11.516 -5.493 1.00 34.41 H new ATOM 0 HG23 THR A 97 0.615 -9.826 -4.937 1.00 34.41 H new ATOM 1564 N GLU A 98 -1.834 -13.387 -4.721 1.00 72.51 N ATOM 1565 CA GLU A 98 -2.138 -14.289 -5.826 1.00 60.30 C ATOM 1566 C GLU A 98 -3.419 -13.865 -6.538 1.00 70.02 C ATOM 1567 O GLU A 98 -3.603 -14.137 -7.724 1.00 65.11 O ATOM 1568 CB GLU A 98 -2.275 -15.727 -5.318 1.00 52.44 C ATOM 1569 CG GLU A 98 -1.176 -16.653 -5.810 1.00 72.42 C ATOM 1570 CD GLU A 98 -1.692 -17.718 -6.758 1.00 43.02 C ATOM 1571 OE1 GLU A 98 -2.526 -17.386 -7.627 1.00 31.50 O ATOM 1572 OE2 GLU A 98 -1.261 -18.883 -6.632 1.00 21.43 O ATOM 0 H GLU A 98 -1.749 -13.845 -3.813 1.00 72.51 H new ATOM 0 HA GLU A 98 -1.314 -14.240 -6.538 1.00 60.30 H new ATOM 0 HB2 GLU A 98 -2.272 -15.720 -4.228 1.00 52.44 H new ATOM 0 HB3 GLU A 98 -3.241 -16.124 -5.632 1.00 52.44 H new ATOM 0 HG2 GLU A 98 -0.409 -16.065 -6.313 1.00 72.42 H new ATOM 0 HG3 GLU A 98 -0.700 -17.133 -4.955 1.00 72.42 H new ATOM 1579 N GLY A 99 -4.304 -13.198 -5.803 1.00 45.32 N ATOM 1580 CA GLY A 99 -5.557 -12.747 -6.380 1.00 44.33 C ATOM 1581 C GLY A 99 -5.405 -11.459 -7.165 1.00 45.21 C ATOM 1582 O GLY A 99 -6.069 -11.261 -8.182 1.00 30.23 O ATOM 0 H GLY A 99 -4.176 -12.962 -4.819 1.00 45.32 H new ATOM 0 HA2 GLY A 99 -5.952 -13.523 -7.035 1.00 44.33 H new ATOM 0 HA3 GLY A 99 -6.287 -12.600 -5.584 1.00 44.33 H new ATOM 1586 N ALA A 100 -4.527 -10.580 -6.692 1.00 22.14 N ATOM 1587 CA ALA A 100 -4.289 -9.305 -7.356 1.00 42.14 C ATOM 1588 C ALA A 100 -3.545 -9.502 -8.672 1.00 43.25 C ATOM 1589 O ALA A 100 -3.715 -8.730 -9.616 1.00 4.42 O ATOM 1590 CB ALA A 100 -3.511 -8.370 -6.442 1.00 61.43 C ATOM 0 H ALA A 100 -3.969 -10.728 -5.851 1.00 22.14 H new ATOM 0 HA ALA A 100 -5.256 -8.854 -7.579 1.00 42.14 H new ATOM 0 HB1 ALA A 100 -3.341 -7.422 -6.952 1.00 61.43 H new ATOM 0 HB2 ALA A 100 -4.082 -8.195 -5.530 1.00 61.43 H new ATOM 0 HB3 ALA A 100 -2.553 -8.823 -6.189 1.00 61.43 H new ATOM 1596 N LYS A 101 -2.718 -10.541 -8.729 1.00 73.10 N ATOM 1597 CA LYS A 101 -1.947 -10.841 -9.930 1.00 22.33 C ATOM 1598 C LYS A 101 -2.861 -11.285 -11.066 1.00 53.14 C ATOM 1599 O LYS A 101 -2.615 -10.973 -12.231 1.00 2.32 O ATOM 1600 CB LYS A 101 -0.913 -11.931 -9.637 1.00 51.21 C ATOM 1601 CG LYS A 101 0.260 -11.447 -8.802 1.00 33.31 C ATOM 1602 CD LYS A 101 0.817 -12.558 -7.927 1.00 73.30 C ATOM 1603 CE LYS A 101 1.494 -13.636 -8.759 1.00 14.14 C ATOM 1604 NZ LYS A 101 1.341 -14.986 -8.149 1.00 15.01 N ATOM 0 H LYS A 101 -2.565 -11.190 -7.957 1.00 73.10 H new ATOM 0 HA LYS A 101 -1.431 -9.932 -10.237 1.00 22.33 H new ATOM 0 HB2 LYS A 101 -1.403 -12.755 -9.118 1.00 51.21 H new ATOM 0 HB3 LYS A 101 -0.538 -12.327 -10.580 1.00 51.21 H new ATOM 0 HG2 LYS A 101 1.045 -11.071 -9.459 1.00 33.31 H new ATOM 0 HG3 LYS A 101 -0.057 -10.613 -8.175 1.00 33.31 H new ATOM 0 HD2 LYS A 101 1.533 -12.141 -7.219 1.00 73.30 H new ATOM 0 HD3 LYS A 101 0.011 -13.001 -7.342 1.00 73.30 H new ATOM 0 HE2 LYS A 101 1.069 -13.641 -9.763 1.00 14.14 H new ATOM 0 HE3 LYS A 101 2.554 -13.403 -8.863 1.00 14.14 H new ATOM 0 HZ1 LYS A 101 1.914 -15.673 -8.679 1.00 15.01 H new ATOM 0 HZ2 LYS A 101 1.661 -14.958 -7.160 1.00 15.01 H new ATOM 0 HZ3 LYS A 101 0.341 -15.270 -8.181 1.00 15.01 H new ATOM 1618 N GLN A 102 -3.918 -12.013 -10.721 1.00 32.43 N ATOM 1619 CA GLN A 102 -4.869 -12.499 -11.713 1.00 64.44 C ATOM 1620 C GLN A 102 -5.763 -11.368 -12.210 1.00 32.33 C ATOM 1621 O GLN A 102 -6.020 -11.248 -13.408 1.00 41.03 O ATOM 1622 CB GLN A 102 -5.726 -13.621 -11.123 1.00 24.13 C ATOM 1623 CG GLN A 102 -5.045 -14.981 -11.142 1.00 52.42 C ATOM 1624 CD GLN A 102 -6.025 -16.120 -11.345 1.00 63.02 C ATOM 1625 OE1 GLN A 102 -6.629 -16.612 -10.392 1.00 64.44 O ATOM 1626 NE2 GLN A 102 -6.187 -16.545 -12.593 1.00 64.43 N ATOM 0 H GLN A 102 -4.137 -12.279 -9.761 1.00 32.43 H new ATOM 0 HA GLN A 102 -4.304 -12.890 -12.559 1.00 64.44 H new ATOM 0 HB2 GLN A 102 -5.984 -13.367 -10.095 1.00 24.13 H new ATOM 0 HB3 GLN A 102 -6.661 -13.684 -11.680 1.00 24.13 H new ATOM 0 HG2 GLN A 102 -4.301 -15.000 -11.939 1.00 52.42 H new ATOM 0 HG3 GLN A 102 -4.511 -15.129 -10.204 1.00 52.42 H new ATOM 0 HE21 GLN A 102 -5.665 -16.108 -13.352 1.00 64.43 H new ATOM 0 HE22 GLN A 102 -6.833 -17.309 -12.792 1.00 64.43 H new ATOM 1635 N ILE A 103 -6.234 -10.542 -11.282 1.00 24.32 N ATOM 1636 CA ILE A 103 -7.098 -9.420 -11.626 1.00 44.14 C ATOM 1637 C ILE A 103 -6.413 -8.480 -12.612 1.00 61.34 C ATOM 1638 O ILE A 103 -7.022 -8.025 -13.580 1.00 30.32 O ATOM 1639 CB ILE A 103 -7.511 -8.622 -10.375 1.00 62.45 C ATOM 1640 CG1 ILE A 103 -8.331 -9.501 -9.430 1.00 75.11 C ATOM 1641 CG2 ILE A 103 -8.299 -7.383 -10.773 1.00 44.33 C ATOM 1642 CD1 ILE A 103 -8.410 -8.963 -8.019 1.00 61.02 C ATOM 0 H ILE A 103 -6.032 -10.629 -10.286 1.00 24.32 H new ATOM 0 HA ILE A 103 -7.991 -9.841 -12.089 1.00 44.14 H new ATOM 0 HB ILE A 103 -6.609 -8.303 -9.852 1.00 62.45 H new ATOM 0 HG12 ILE A 103 -9.341 -9.604 -9.828 1.00 75.11 H new ATOM 0 HG13 ILE A 103 -7.894 -10.499 -9.405 1.00 75.11 H new ATOM 0 HG21 ILE A 103 -8.584 -6.830 -9.878 1.00 44.33 H new ATOM 0 HG22 ILE A 103 -7.683 -6.749 -11.411 1.00 44.33 H new ATOM 0 HG23 ILE A 103 -9.196 -7.681 -11.316 1.00 44.33 H new ATOM 0 HD11 ILE A 103 -9.007 -9.638 -7.405 1.00 61.02 H new ATOM 0 HD12 ILE A 103 -7.406 -8.886 -7.602 1.00 61.02 H new ATOM 0 HD13 ILE A 103 -8.874 -7.977 -8.031 1.00 61.02 H new ATOM 1654 N VAL A 104 -5.139 -8.193 -12.360 1.00 62.20 N ATOM 1655 CA VAL A 104 -4.368 -7.310 -13.227 1.00 42.42 C ATOM 1656 C VAL A 104 -4.124 -7.952 -14.589 1.00 12.23 C ATOM 1657 O VAL A 104 -4.395 -7.349 -15.627 1.00 11.22 O ATOM 1658 CB VAL A 104 -3.013 -6.944 -12.593 1.00 65.44 C ATOM 1659 CG1 VAL A 104 -2.201 -6.071 -13.537 1.00 4.05 C ATOM 1660 CG2 VAL A 104 -3.220 -6.250 -11.256 1.00 13.53 C ATOM 0 H VAL A 104 -4.620 -8.559 -11.562 1.00 62.20 H new ATOM 0 HA VAL A 104 -4.956 -6.402 -13.358 1.00 42.42 H new ATOM 0 HB VAL A 104 -2.454 -7.863 -12.416 1.00 65.44 H new ATOM 0 HG11 VAL A 104 -1.247 -5.822 -13.072 1.00 4.05 H new ATOM 0 HG12 VAL A 104 -2.022 -6.610 -14.467 1.00 4.05 H new ATOM 0 HG13 VAL A 104 -2.751 -5.154 -13.749 1.00 4.05 H new ATOM 0 HG21 VAL A 104 -2.252 -5.999 -10.823 1.00 13.53 H new ATOM 0 HG22 VAL A 104 -3.798 -5.338 -11.405 1.00 13.53 H new ATOM 0 HG23 VAL A 104 -3.758 -6.915 -10.580 1.00 13.53 H new ATOM 1670 N ARG A 105 -3.610 -9.177 -14.575 1.00 53.14 N ATOM 1671 CA ARG A 105 -3.329 -9.900 -15.809 1.00 60.50 C ATOM 1672 C ARG A 105 -4.562 -9.949 -16.705 1.00 74.12 C ATOM 1673 O ARG A 105 -4.497 -9.613 -17.888 1.00 24.41 O ATOM 1674 CB ARG A 105 -2.857 -11.322 -15.496 1.00 2.05 C ATOM 1675 CG ARG A 105 -2.460 -12.118 -16.728 1.00 14.13 C ATOM 1676 CD ARG A 105 -3.164 -13.466 -16.772 1.00 4.43 C ATOM 1677 NE ARG A 105 -2.827 -14.219 -17.976 1.00 72.42 N ATOM 1678 CZ ARG A 105 -1.657 -14.821 -18.164 1.00 52.51 C ATOM 1679 NH1 ARG A 105 -0.717 -14.755 -17.232 1.00 40.13 N ATOM 1680 NH2 ARG A 105 -1.427 -15.488 -19.288 1.00 11.40 N ATOM 0 H ARG A 105 -3.380 -9.689 -13.724 1.00 53.14 H new ATOM 0 HA ARG A 105 -2.538 -9.369 -16.338 1.00 60.50 H new ATOM 0 HB2 ARG A 105 -2.006 -11.272 -14.817 1.00 2.05 H new ATOM 0 HB3 ARG A 105 -3.652 -11.852 -14.972 1.00 2.05 H new ATOM 0 HG2 ARG A 105 -2.705 -11.549 -17.625 1.00 14.13 H new ATOM 0 HG3 ARG A 105 -1.381 -12.270 -16.732 1.00 14.13 H new ATOM 0 HD2 ARG A 105 -2.889 -14.047 -15.892 1.00 4.43 H new ATOM 0 HD3 ARG A 105 -4.242 -13.314 -16.730 1.00 4.43 H new ATOM 0 HE ARG A 105 -3.528 -14.287 -18.714 1.00 72.42 H new ATOM 0 HH11 ARG A 105 -0.891 -14.241 -16.368 1.00 40.13 H new ATOM 0 HH12 ARG A 105 0.180 -15.218 -17.379 1.00 40.13 H new ATOM 0 HH21 ARG A 105 -2.148 -15.539 -20.008 1.00 11.40 H new ATOM 0 HH22 ARG A 105 -0.529 -15.950 -19.432 1.00 11.40 H new ATOM 1694 N ARG A 106 -5.686 -10.368 -16.134 1.00 34.15 N ATOM 1695 CA ARG A 106 -6.935 -10.461 -16.881 1.00 10.12 C ATOM 1696 C ARG A 106 -7.341 -9.098 -17.434 1.00 21.11 C ATOM 1697 O ARG A 106 -7.738 -8.980 -18.594 1.00 23.35 O ATOM 1698 CB ARG A 106 -8.049 -11.013 -15.988 1.00 43.32 C ATOM 1699 CG ARG A 106 -9.229 -11.574 -16.764 1.00 54.50 C ATOM 1700 CD ARG A 106 -10.545 -11.290 -16.057 1.00 33.22 C ATOM 1701 NE ARG A 106 -11.135 -10.025 -16.486 1.00 34.45 N ATOM 1702 CZ ARG A 106 -12.179 -9.460 -15.888 1.00 32.40 C ATOM 1703 NH1 ARG A 106 -12.744 -10.046 -14.841 1.00 4.24 N ATOM 1704 NH2 ARG A 106 -12.660 -8.308 -16.338 1.00 3.33 N ATOM 0 H ARG A 106 -5.758 -10.649 -15.156 1.00 34.15 H new ATOM 0 HA ARG A 106 -6.778 -11.142 -17.718 1.00 10.12 H new ATOM 0 HB2 ARG A 106 -7.638 -11.796 -15.351 1.00 43.32 H new ATOM 0 HB3 ARG A 106 -8.402 -10.219 -15.329 1.00 43.32 H new ATOM 0 HG2 ARG A 106 -9.250 -11.138 -17.763 1.00 54.50 H new ATOM 0 HG3 ARG A 106 -9.106 -12.650 -16.888 1.00 54.50 H new ATOM 0 HD2 ARG A 106 -11.245 -12.102 -16.254 1.00 33.22 H new ATOM 0 HD3 ARG A 106 -10.380 -11.266 -14.980 1.00 33.22 H new ATOM 0 HE ARG A 106 -10.723 -9.549 -17.289 1.00 34.45 H new ATOM 0 HH11 ARG A 106 -12.377 -10.932 -14.493 1.00 4.24 H new ATOM 0 HH12 ARG A 106 -13.545 -9.611 -14.384 1.00 4.24 H new ATOM 0 HH21 ARG A 106 -12.229 -7.855 -17.144 1.00 3.33 H new ATOM 0 HH22 ARG A 106 -13.461 -7.875 -15.878 1.00 3.33 H new ATOM 1718 N HIS A 107 -7.238 -8.071 -16.597 1.00 35.04 N ATOM 1719 CA HIS A 107 -7.595 -6.716 -17.002 1.00 52.52 C ATOM 1720 C HIS A 107 -6.789 -6.285 -18.225 1.00 72.20 C ATOM 1721 O HIS A 107 -7.357 -5.575 -19.056 1.00 1.44 O ATOM 1722 CB HIS A 107 -7.357 -5.737 -15.851 1.00 42.13 C ATOM 1723 CG HIS A 107 -8.433 -5.764 -14.809 1.00 70.32 C ATOM 1724 ND1 HIS A 107 -9.733 -6.138 -15.080 1.00 5.05 N ATOM 1725 CD2 HIS A 107 -8.395 -5.464 -13.490 1.00 14.11 C ATOM 1726 CE1 HIS A 107 -10.448 -6.064 -13.971 1.00 72.20 C ATOM 1727 NE2 HIS A 107 -9.660 -5.658 -12.992 1.00 0.33 N ATOM 0 H HIS A 107 -6.910 -8.151 -15.634 1.00 35.04 H new ATOM 0 HA HIS A 107 -8.653 -6.708 -17.263 1.00 52.52 H new ATOM 0 HB2 HIS A 107 -6.401 -5.968 -15.381 1.00 42.13 H new ATOM 0 HB3 HIS A 107 -7.278 -4.727 -16.254 1.00 42.13 H new ATOM 0 HD2 HIS A 107 -7.531 -5.134 -12.933 1.00 14.11 H new ATOM 0 HE1 HIS A 107 -11.499 -6.296 -13.881 1.00 72.20 H new ATOM 0 HE2 HIS A 107 -9.945 -5.512 -12.023 1.00 0.33 H new ATOM 1735 N LEU A 108 -5.529 -6.683 -18.354 1.00 64.21 N ATOM 1736 CA LEU A 108 -4.719 -6.298 -19.505 1.00 54.03 C ATOM 1737 C LEU A 108 -5.241 -6.952 -20.781 1.00 2.31 C ATOM 1738 O LEU A 108 -5.220 -6.349 -21.854 1.00 44.13 O ATOM 1739 CB LEU A 108 -3.258 -6.688 -19.280 1.00 24.41 C ATOM 1740 CG LEU A 108 -2.543 -5.978 -18.130 1.00 0.43 C ATOM 1741 CD1 LEU A 108 -1.354 -6.797 -17.652 1.00 71.35 C ATOM 1742 CD2 LEU A 108 -2.097 -4.587 -18.557 1.00 51.15 C ATOM 0 H LEU A 108 -5.045 -7.272 -17.676 1.00 64.21 H new ATOM 0 HA LEU A 108 -4.786 -5.216 -19.619 1.00 54.03 H new ATOM 0 HB2 LEU A 108 -3.213 -7.762 -19.101 1.00 24.41 H new ATOM 0 HB3 LEU A 108 -2.705 -6.495 -20.199 1.00 24.41 H new ATOM 0 HG LEU A 108 -3.244 -5.875 -17.301 1.00 0.43 H new ATOM 0 HD11 LEU A 108 -0.858 -6.275 -16.833 1.00 71.35 H new ATOM 0 HD12 LEU A 108 -1.699 -7.771 -17.305 1.00 71.35 H new ATOM 0 HD13 LEU A 108 -0.651 -6.933 -18.474 1.00 71.35 H new ATOM 0 HD21 LEU A 108 -1.590 -4.096 -17.726 1.00 51.15 H new ATOM 0 HD22 LEU A 108 -1.414 -4.668 -19.402 1.00 51.15 H new ATOM 0 HD23 LEU A 108 -2.967 -3.999 -18.849 1.00 51.15 H new