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 70:sc= 0.705 USER MOD Set 1.2: A 97 THR OG1 : rot -116:sc= 0.887 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= 0.892 K(o=0.89,f=-5.8!) USER MOD Single : A 39 ASN : amide:sc= -0.15 X(o=-0.15,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0.582 USER MOD Single : A 54 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.0095) USER MOD Single : A 57 CYS SG : rot 120:sc= -0.279 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.0057) 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 -47:sc= 0.972 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.37 K(o=-0.37,f=-1.7!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot -66:sc= 1.15 USER MOD Single : A 87 CYS SG : rot -170:sc= -0.418 USER MOD Single : A 89 HIS : no HD1:sc= -0.45 K(o=-0.45,f=-2.9) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= -0.0958 X(o=-0.096,f=0) USER MOD Single : A 107 HIS : no HD1:sc= -1.14 K(o=-1.1,f=-2.8!) USER MOD ----------------------------------------------------------------- ATOM 177 N ALA A 13 -5.074 2.654 3.794 1.00 30.13 N ATOM 178 CA ALA A 13 -3.964 2.061 4.530 1.00 52.54 C ATOM 179 C ALA A 13 -4.421 0.843 5.325 1.00 71.03 C ATOM 180 O ALA A 13 -3.660 -0.105 5.519 1.00 23.20 O ATOM 181 CB ALA A 13 -3.334 3.091 5.454 1.00 3.55 C ATOM 0 HA ALA A 13 -3.217 1.731 3.808 1.00 52.54 H new ATOM 0 HB1 ALA A 13 -2.507 2.635 5.997 1.00 3.55 H new ATOM 0 HB2 ALA A 13 -2.963 3.929 4.865 1.00 3.55 H new ATOM 0 HB3 ALA A 13 -4.081 3.448 6.163 1.00 3.55 H new ATOM 187 N ASP A 14 -5.668 0.875 5.783 1.00 71.13 N ATOM 188 CA ASP A 14 -6.227 -0.227 6.557 1.00 72.34 C ATOM 189 C ASP A 14 -6.197 -1.525 5.756 1.00 41.03 C ATOM 190 O ASP A 14 -5.574 -2.504 6.165 1.00 23.00 O ATOM 191 CB ASP A 14 -7.661 0.094 6.979 1.00 74.34 C ATOM 192 CG ASP A 14 -8.149 -0.803 8.101 1.00 71.02 C ATOM 193 OD1 ASP A 14 -7.366 -1.661 8.556 1.00 31.33 O ATOM 194 OD2 ASP A 14 -9.315 -0.646 8.522 1.00 41.14 O ATOM 0 H ASP A 14 -6.311 1.652 5.631 1.00 71.13 H new ATOM 0 HA ASP A 14 -5.615 -0.358 7.449 1.00 72.34 H new ATOM 0 HB2 ASP A 14 -7.718 1.135 7.299 1.00 74.34 H new ATOM 0 HB3 ASP A 14 -8.322 -0.012 6.119 1.00 74.34 H new ATOM 199 N GLU A 15 -6.875 -1.524 4.611 1.00 23.34 N ATOM 200 CA GLU A 15 -6.926 -2.702 3.754 1.00 74.31 C ATOM 201 C GLU A 15 -5.527 -3.110 3.305 1.00 31.32 C ATOM 202 O GLU A 15 -5.189 -4.295 3.287 1.00 41.34 O ATOM 203 CB GLU A 15 -7.807 -2.433 2.533 1.00 55.21 C ATOM 204 CG GLU A 15 -9.194 -3.047 2.634 1.00 44.23 C ATOM 205 CD GLU A 15 -10.107 -2.276 3.567 1.00 30.51 C ATOM 206 OE1 GLU A 15 -10.529 -1.161 3.197 1.00 42.22 O ATOM 207 OE2 GLU A 15 -10.400 -2.789 4.668 1.00 42.24 O ATOM 0 H GLU A 15 -7.395 -0.721 4.257 1.00 23.34 H new ATOM 0 HA GLU A 15 -7.356 -3.521 4.331 1.00 74.31 H new ATOM 0 HB2 GLU A 15 -7.905 -1.356 2.397 1.00 55.21 H new ATOM 0 HB3 GLU A 15 -7.310 -2.823 1.644 1.00 55.21 H new ATOM 0 HG2 GLU A 15 -9.643 -3.085 1.642 1.00 44.23 H new ATOM 0 HG3 GLU A 15 -9.107 -4.075 2.985 1.00 44.23 H new ATOM 214 N LEU A 16 -4.716 -2.121 2.943 1.00 21.52 N ATOM 215 CA LEU A 16 -3.352 -2.377 2.493 1.00 3.42 C ATOM 216 C LEU A 16 -2.563 -3.139 3.553 1.00 42.22 C ATOM 217 O LEU A 16 -1.646 -3.896 3.232 1.00 13.34 O ATOM 218 CB LEU A 16 -2.648 -1.059 2.166 1.00 45.12 C ATOM 219 CG LEU A 16 -1.223 -1.177 1.623 1.00 12.33 C ATOM 220 CD1 LEU A 16 -0.228 -1.322 2.764 1.00 10.35 C ATOM 221 CD2 LEU A 16 -1.112 -2.352 0.664 1.00 32.53 C ATOM 0 H LEU A 16 -4.979 -1.136 2.952 1.00 21.52 H new ATOM 0 HA LEU A 16 -3.401 -2.990 1.593 1.00 3.42 H new ATOM 0 HB2 LEU A 16 -3.251 -0.520 1.435 1.00 45.12 H new ATOM 0 HB3 LEU A 16 -2.622 -0.450 3.070 1.00 45.12 H new ATOM 0 HG LEU A 16 -0.987 -0.265 1.075 1.00 12.33 H new ATOM 0 HD11 LEU A 16 0.781 -1.405 2.359 1.00 10.35 H new ATOM 0 HD12 LEU A 16 -0.288 -0.448 3.412 1.00 10.35 H new ATOM 0 HD13 LEU A 16 -0.462 -2.218 3.340 1.00 10.35 H new ATOM 0 HD21 LEU A 16 -0.091 -2.420 0.288 1.00 32.53 H new ATOM 0 HD22 LEU A 16 -1.368 -3.274 1.187 1.00 32.53 H new ATOM 0 HD23 LEU A 16 -1.797 -2.206 -0.171 1.00 32.53 H new ATOM 233 N GLU A 17 -2.926 -2.934 4.815 1.00 61.33 N ATOM 234 CA GLU A 17 -2.253 -3.604 5.921 1.00 24.42 C ATOM 235 C GLU A 17 -3.022 -4.848 6.355 1.00 71.12 C ATOM 236 O GLU A 17 -2.550 -5.626 7.185 1.00 41.43 O ATOM 237 CB GLU A 17 -2.096 -2.649 7.106 1.00 2.12 C ATOM 238 CG GLU A 17 -0.955 -1.659 6.943 1.00 52.31 C ATOM 239 CD GLU A 17 -0.781 -0.765 8.156 1.00 51.13 C ATOM 240 OE1 GLU A 17 -0.409 -1.286 9.227 1.00 23.42 O ATOM 241 OE2 GLU A 17 -1.016 0.456 8.033 1.00 20.55 O ATOM 0 H GLU A 17 -3.682 -2.310 5.097 1.00 61.33 H new ATOM 0 HA GLU A 17 -1.265 -3.911 5.577 1.00 24.42 H new ATOM 0 HB2 GLU A 17 -3.027 -2.098 7.244 1.00 2.12 H new ATOM 0 HB3 GLU A 17 -1.933 -3.232 8.013 1.00 2.12 H new ATOM 0 HG2 GLU A 17 -0.029 -2.204 6.762 1.00 52.31 H new ATOM 0 HG3 GLU A 17 -1.138 -1.041 6.064 1.00 52.31 H new ATOM 248 N ARG A 18 -4.210 -5.029 5.788 1.00 13.33 N ATOM 249 CA ARG A 18 -5.048 -6.176 6.117 1.00 40.24 C ATOM 250 C ARG A 18 -4.855 -7.299 5.102 1.00 44.03 C ATOM 251 O ARG A 18 -5.069 -8.471 5.409 1.00 32.22 O ATOM 252 CB ARG A 18 -6.520 -5.764 6.163 1.00 2.01 C ATOM 253 CG ARG A 18 -7.240 -6.217 7.424 1.00 40.25 C ATOM 254 CD ARG A 18 -8.444 -7.086 7.096 1.00 65.23 C ATOM 255 NE ARG A 18 -9.137 -7.537 8.299 1.00 33.12 N ATOM 256 CZ ARG A 18 -10.357 -8.061 8.291 1.00 71.33 C ATOM 257 NH1 ARG A 18 -11.015 -8.201 7.148 1.00 13.01 N ATOM 258 NH2 ARG A 18 -10.922 -8.449 9.427 1.00 10.44 N ATOM 0 H ARG A 18 -4.614 -4.396 5.098 1.00 13.33 H new ATOM 0 HA ARG A 18 -4.750 -6.541 7.100 1.00 40.24 H new ATOM 0 HB2 ARG A 18 -6.587 -4.679 6.086 1.00 2.01 H new ATOM 0 HB3 ARG A 18 -7.032 -6.178 5.294 1.00 2.01 H new ATOM 0 HG2 ARG A 18 -6.550 -6.774 8.058 1.00 40.25 H new ATOM 0 HG3 ARG A 18 -7.563 -5.345 7.993 1.00 40.25 H new ATOM 0 HD2 ARG A 18 -9.136 -6.525 6.468 1.00 65.23 H new ATOM 0 HD3 ARG A 18 -8.120 -7.952 6.518 1.00 65.23 H new ATOM 0 HE ARG A 18 -8.658 -7.445 9.195 1.00 33.12 H new ATOM 0 HH11 ARG A 18 -10.584 -7.906 6.272 1.00 13.01 H new ATOM 0 HH12 ARG A 18 -11.952 -8.604 7.145 1.00 13.01 H new ATOM 0 HH21 ARG A 18 -10.419 -8.345 10.308 1.00 10.44 H new ATOM 0 HH22 ARG A 18 -11.859 -8.851 9.419 1.00 10.44 H new ATOM 272 N ILE A 19 -4.449 -6.931 3.890 1.00 24.25 N ATOM 273 CA ILE A 19 -4.226 -7.906 2.831 1.00 75.51 C ATOM 274 C ILE A 19 -3.095 -8.863 3.193 1.00 72.22 C ATOM 275 O ILE A 19 -2.091 -8.460 3.780 1.00 13.53 O ATOM 276 CB ILE A 19 -3.894 -7.219 1.493 1.00 23.41 C ATOM 277 CG1 ILE A 19 -5.073 -6.361 1.030 1.00 5.52 C ATOM 278 CG2 ILE A 19 -3.540 -8.257 0.438 1.00 21.10 C ATOM 279 CD1 ILE A 19 -4.655 -5.116 0.280 1.00 42.21 C ATOM 0 H ILE A 19 -4.268 -5.965 3.619 1.00 24.25 H new ATOM 0 HA ILE A 19 -5.153 -8.469 2.721 1.00 75.51 H new ATOM 0 HB ILE A 19 -3.031 -6.569 1.639 1.00 23.41 H new ATOM 0 HG12 ILE A 19 -5.720 -6.961 0.390 1.00 5.52 H new ATOM 0 HG13 ILE A 19 -5.664 -6.071 1.899 1.00 5.52 H new ATOM 0 HG21 ILE A 19 -3.308 -7.756 -0.502 1.00 21.10 H new ATOM 0 HG22 ILE A 19 -2.673 -8.830 0.768 1.00 21.10 H new ATOM 0 HG23 ILE A 19 -4.385 -8.930 0.291 1.00 21.10 H new ATOM 0 HD11 ILE A 19 -5.541 -4.556 -0.018 1.00 42.21 H new ATOM 0 HD12 ILE A 19 -4.033 -4.495 0.924 1.00 42.21 H new ATOM 0 HD13 ILE A 19 -4.089 -5.399 -0.608 1.00 42.21 H new ATOM 291 N ARG A 20 -3.263 -10.132 2.835 1.00 10.24 N ATOM 292 CA ARG A 20 -2.256 -11.146 3.122 1.00 22.45 C ATOM 293 C ARG A 20 -1.330 -11.347 1.926 1.00 71.01 C ATOM 294 O ARG A 20 -1.769 -11.312 0.775 1.00 35.11 O ATOM 295 CB ARG A 20 -2.926 -12.472 3.490 1.00 0.30 C ATOM 296 CG ARG A 20 -3.324 -12.567 4.953 1.00 33.24 C ATOM 297 CD ARG A 20 -4.650 -13.292 5.123 1.00 24.51 C ATOM 298 NE ARG A 20 -5.357 -12.866 6.327 1.00 11.42 N ATOM 299 CZ ARG A 20 -6.438 -13.477 6.801 1.00 2.14 C ATOM 300 NH1 ARG A 20 -6.931 -14.537 6.175 1.00 15.14 N ATOM 301 NH2 ARG A 20 -7.026 -13.029 7.903 1.00 22.51 N ATOM 0 H ARG A 20 -4.087 -10.482 2.346 1.00 10.24 H new ATOM 0 HA ARG A 20 -1.660 -10.801 3.967 1.00 22.45 H new ATOM 0 HB2 ARG A 20 -3.814 -12.605 2.871 1.00 0.30 H new ATOM 0 HB3 ARG A 20 -2.247 -13.291 3.253 1.00 0.30 H new ATOM 0 HG2 ARG A 20 -2.547 -13.092 5.509 1.00 33.24 H new ATOM 0 HG3 ARG A 20 -3.399 -11.566 5.377 1.00 33.24 H new ATOM 0 HD2 ARG A 20 -5.277 -13.109 4.251 1.00 24.51 H new ATOM 0 HD3 ARG A 20 -4.472 -14.366 5.168 1.00 24.51 H new ATOM 0 HE ARG A 20 -5.002 -12.054 6.833 1.00 11.42 H new ATOM 0 HH11 ARG A 20 -6.481 -14.885 5.328 1.00 15.14 H new ATOM 0 HH12 ARG A 20 -7.761 -15.005 6.540 1.00 15.14 H new ATOM 0 HH21 ARG A 20 -6.648 -12.215 8.387 1.00 22.51 H new ATOM 0 HH22 ARG A 20 -7.856 -13.499 8.266 1.00 22.51 H new ATOM 315 N LEU A 21 -0.048 -11.556 2.204 1.00 34.22 N ATOM 316 CA LEU A 21 0.940 -11.762 1.151 1.00 1.22 C ATOM 317 C LEU A 21 0.570 -12.961 0.284 1.00 22.25 C ATOM 318 O LEU A 21 1.010 -13.072 -0.861 1.00 5.04 O ATOM 319 CB LEU A 21 2.328 -11.965 1.759 1.00 11.04 C ATOM 320 CG LEU A 21 3.092 -10.693 2.129 1.00 65.32 C ATOM 321 CD1 LEU A 21 4.324 -11.032 2.955 1.00 14.14 C ATOM 322 CD2 LEU A 21 3.485 -9.925 0.876 1.00 53.41 C ATOM 0 H LEU A 21 0.332 -11.587 3.150 1.00 34.22 H new ATOM 0 HA LEU A 21 0.954 -10.873 0.521 1.00 1.22 H new ATOM 0 HB2 LEU A 21 2.224 -12.576 2.656 1.00 11.04 H new ATOM 0 HB3 LEU A 21 2.932 -12.535 1.053 1.00 11.04 H new ATOM 0 HG LEU A 21 2.438 -10.061 2.730 1.00 65.32 H new ATOM 0 HD11 LEU A 21 4.855 -10.115 3.209 1.00 14.14 H new ATOM 0 HD12 LEU A 21 4.020 -11.541 3.870 1.00 14.14 H new ATOM 0 HD13 LEU A 21 4.981 -11.684 2.379 1.00 14.14 H new ATOM 0 HD21 LEU A 21 4.028 -9.023 1.158 1.00 53.41 H new ATOM 0 HD22 LEU A 21 4.121 -10.551 0.250 1.00 53.41 H new ATOM 0 HD23 LEU A 21 2.588 -9.650 0.321 1.00 53.41 H new ATOM 334 N ARG A 22 -0.240 -13.857 0.838 1.00 15.30 N ATOM 335 CA ARG A 22 -0.670 -15.048 0.114 1.00 23.15 C ATOM 336 C ARG A 22 -2.149 -15.332 0.365 1.00 63.22 C ATOM 337 O ARG A 22 -2.780 -14.741 1.240 1.00 0.14 O ATOM 338 CB ARG A 22 0.170 -16.255 0.534 1.00 34.45 C ATOM 339 CG ARG A 22 1.357 -15.896 1.413 1.00 1.11 C ATOM 340 CD ARG A 22 2.175 -17.126 1.776 1.00 41.42 C ATOM 341 NE ARG A 22 2.825 -17.714 0.609 1.00 64.10 N ATOM 342 CZ ARG A 22 2.276 -18.666 -0.137 1.00 64.00 C ATOM 343 NH1 ARG A 22 1.072 -19.135 0.162 1.00 10.43 N ATOM 344 NH2 ARG A 22 2.930 -19.151 -1.185 1.00 21.44 N ATOM 0 H ARG A 22 -0.612 -13.781 1.785 1.00 15.30 H new ATOM 0 HA ARG A 22 -0.528 -14.867 -0.951 1.00 23.15 H new ATOM 0 HB2 ARG A 22 -0.466 -16.961 1.068 1.00 34.45 H new ATOM 0 HB3 ARG A 22 0.531 -16.764 -0.360 1.00 34.45 H new ATOM 0 HG2 ARG A 22 1.991 -15.177 0.894 1.00 1.11 H new ATOM 0 HG3 ARG A 22 1.004 -15.411 2.323 1.00 1.11 H new ATOM 0 HD2 ARG A 22 2.930 -16.854 2.513 1.00 41.42 H new ATOM 0 HD3 ARG A 22 1.527 -17.868 2.242 1.00 41.42 H new ATOM 0 HE ARG A 22 3.752 -17.375 0.352 1.00 64.10 H new ATOM 0 HH11 ARG A 22 0.566 -18.765 0.966 1.00 10.43 H new ATOM 0 HH12 ARG A 22 0.652 -19.866 -0.412 1.00 10.43 H new ATOM 0 HH21 ARG A 22 3.856 -18.793 -1.419 1.00 21.44 H new ATOM 0 HH22 ARG A 22 2.507 -19.882 -1.757 1.00 21.44 H new ATOM 358 N PRO A 23 -2.714 -16.257 -0.424 1.00 54.24 N ATOM 359 CA PRO A 23 -4.125 -16.641 -0.308 1.00 11.52 C ATOM 360 C PRO A 23 -4.411 -17.416 0.974 1.00 40.43 C ATOM 361 O PRO A 23 -5.509 -17.340 1.524 1.00 2.13 O ATOM 362 CB PRO A 23 -4.353 -17.530 -1.534 1.00 5.44 C ATOM 363 CG PRO A 23 -3.006 -18.075 -1.860 1.00 71.55 C ATOM 364 CD PRO A 23 -2.022 -17.001 -1.490 1.00 21.11 C ATOM 0 HA PRO A 23 -4.782 -15.772 -0.267 1.00 11.52 H new ATOM 0 HB2 PRO A 23 -5.062 -18.329 -1.318 1.00 5.44 H new ATOM 0 HB3 PRO A 23 -4.762 -16.958 -2.367 1.00 5.44 H new ATOM 0 HG2 PRO A 23 -2.811 -18.991 -1.303 1.00 71.55 H new ATOM 0 HG3 PRO A 23 -2.932 -18.324 -2.919 1.00 71.55 H new ATOM 0 HD2 PRO A 23 -1.080 -17.423 -1.139 1.00 21.11 H new ATOM 0 HD3 PRO A 23 -1.788 -16.360 -2.340 1.00 21.11 H new ATOM 372 N GLY A 24 -3.416 -18.162 1.444 1.00 42.04 N ATOM 373 CA GLY A 24 -3.581 -18.939 2.657 1.00 32.35 C ATOM 374 C GLY A 24 -3.057 -18.219 3.884 1.00 72.43 C ATOM 375 O GLY A 24 -3.015 -18.786 4.975 1.00 74.13 O ATOM 0 H GLY A 24 -2.498 -18.242 1.006 1.00 42.04 H new ATOM 0 HA2 GLY A 24 -4.638 -19.167 2.797 1.00 32.35 H new ATOM 0 HA3 GLY A 24 -3.061 -19.891 2.548 1.00 32.35 H new ATOM 379 N GLY A 25 -2.654 -16.965 3.705 1.00 34.01 N ATOM 380 CA GLY A 25 -2.133 -16.188 4.814 1.00 51.43 C ATOM 381 C GLY A 25 -0.705 -16.558 5.162 1.00 20.31 C ATOM 382 O GLY A 25 -0.268 -17.681 4.908 1.00 24.13 O ATOM 0 H GLY A 25 -2.679 -16.473 2.812 1.00 34.01 H new ATOM 0 HA2 GLY A 25 -2.180 -15.128 4.564 1.00 51.43 H new ATOM 0 HA3 GLY A 25 -2.767 -16.338 5.688 1.00 51.43 H new ATOM 386 N LYS A 26 0.025 -15.612 5.743 1.00 64.33 N ATOM 387 CA LYS A 26 1.412 -15.844 6.126 1.00 44.14 C ATOM 388 C LYS A 26 2.064 -14.554 6.613 1.00 3.13 C ATOM 389 O LYS A 26 2.960 -14.579 7.459 1.00 53.51 O ATOM 390 CB LYS A 26 2.202 -16.411 4.944 1.00 51.53 C ATOM 391 CG LYS A 26 3.708 -16.306 5.111 1.00 33.02 C ATOM 392 CD LYS A 26 4.415 -17.544 4.586 1.00 30.04 C ATOM 393 CE LYS A 26 5.759 -17.749 5.268 1.00 44.12 C ATOM 394 NZ LYS A 26 5.897 -19.124 5.821 1.00 20.40 N ATOM 0 H LYS A 26 -0.321 -14.677 5.959 1.00 64.33 H new ATOM 0 HA LYS A 26 1.421 -16.567 6.942 1.00 44.14 H new ATOM 0 HB2 LYS A 26 1.932 -17.458 4.807 1.00 51.53 H new ATOM 0 HB3 LYS A 26 1.908 -15.885 4.036 1.00 51.53 H new ATOM 0 HG2 LYS A 26 4.073 -15.426 4.582 1.00 33.02 H new ATOM 0 HG3 LYS A 26 3.949 -16.168 6.165 1.00 33.02 H new ATOM 0 HD2 LYS A 26 3.786 -18.420 4.748 1.00 30.04 H new ATOM 0 HD3 LYS A 26 4.562 -17.452 3.510 1.00 30.04 H new ATOM 0 HE2 LYS A 26 6.561 -17.563 4.553 1.00 44.12 H new ATOM 0 HE3 LYS A 26 5.873 -17.021 6.072 1.00 44.12 H new ATOM 0 HZ1 LYS A 26 6.826 -19.223 6.277 1.00 20.40 H new ATOM 0 HZ2 LYS A 26 5.147 -19.293 6.522 1.00 20.40 H new ATOM 0 HZ3 LYS A 26 5.814 -19.818 5.051 1.00 20.40 H new ATOM 408 N LYS A 27 1.610 -13.427 6.077 1.00 54.32 N ATOM 409 CA LYS A 27 2.146 -12.125 6.459 1.00 74.30 C ATOM 410 C LYS A 27 1.318 -10.997 5.853 1.00 35.03 C ATOM 411 O LYS A 27 0.673 -11.171 4.819 1.00 31.22 O ATOM 412 CB LYS A 27 3.603 -12.001 6.010 1.00 43.31 C ATOM 413 CG LYS A 27 4.596 -11.991 7.160 1.00 30.34 C ATOM 414 CD LYS A 27 6.029 -12.066 6.661 1.00 41.41 C ATOM 415 CE LYS A 27 6.633 -13.441 6.902 1.00 54.44 C ATOM 416 NZ LYS A 27 8.102 -13.369 7.129 1.00 60.31 N ATOM 0 H LYS A 27 0.871 -13.388 5.375 1.00 54.32 H new ATOM 0 HA LYS A 27 2.098 -12.043 7.545 1.00 74.30 H new ATOM 0 HB2 LYS A 27 3.841 -12.830 5.343 1.00 43.31 H new ATOM 0 HB3 LYS A 27 3.720 -11.084 5.433 1.00 43.31 H new ATOM 0 HG2 LYS A 27 4.462 -11.084 7.749 1.00 30.34 H new ATOM 0 HG3 LYS A 27 4.396 -12.834 7.822 1.00 30.34 H new ATOM 0 HD2 LYS A 27 6.057 -11.837 5.596 1.00 41.41 H new ATOM 0 HD3 LYS A 27 6.631 -11.310 7.165 1.00 41.41 H new ATOM 0 HE2 LYS A 27 6.154 -13.902 7.766 1.00 54.44 H new ATOM 0 HE3 LYS A 27 6.429 -14.083 6.045 1.00 54.44 H new ATOM 0 HZ1 LYS A 27 8.476 -14.326 7.289 1.00 60.31 H new ATOM 0 HZ2 LYS A 27 8.562 -12.953 6.294 1.00 60.31 H new ATOM 0 HZ3 LYS A 27 8.296 -12.778 7.962 1.00 60.31 H new ATOM 430 N LYS A 28 1.341 -9.838 6.503 1.00 3.40 N ATOM 431 CA LYS A 28 0.595 -8.678 6.029 1.00 71.53 C ATOM 432 C LYS A 28 1.533 -7.638 5.425 1.00 21.13 C ATOM 433 O LYS A 28 2.628 -7.406 5.937 1.00 44.43 O ATOM 434 CB LYS A 28 -0.205 -8.057 7.175 1.00 32.02 C ATOM 435 CG LYS A 28 -1.320 -8.949 7.692 1.00 22.03 C ATOM 436 CD LYS A 28 -1.865 -8.448 9.019 1.00 0.25 C ATOM 437 CE LYS A 28 -2.090 -9.591 9.997 1.00 13.30 C ATOM 438 NZ LYS A 28 -2.249 -9.102 11.395 1.00 14.12 N ATOM 0 H LYS A 28 1.869 -9.677 7.361 1.00 3.40 H new ATOM 0 HA LYS A 28 -0.095 -9.012 5.254 1.00 71.53 H new ATOM 0 HB2 LYS A 28 0.473 -7.825 7.996 1.00 32.02 H new ATOM 0 HB3 LYS A 28 -0.633 -7.113 6.838 1.00 32.02 H new ATOM 0 HG2 LYS A 28 -2.125 -8.988 6.959 1.00 22.03 H new ATOM 0 HG3 LYS A 28 -0.948 -9.966 7.811 1.00 22.03 H new ATOM 0 HD2 LYS A 28 -1.169 -7.730 9.451 1.00 0.25 H new ATOM 0 HD3 LYS A 28 -2.804 -7.921 8.852 1.00 0.25 H new ATOM 0 HE2 LYS A 28 -2.979 -10.150 9.704 1.00 13.30 H new ATOM 0 HE3 LYS A 28 -1.249 -10.282 9.948 1.00 13.30 H new ATOM 0 HZ1 LYS A 28 -2.400 -9.911 12.031 1.00 14.12 H new ATOM 0 HZ2 LYS A 28 -1.391 -8.591 11.684 1.00 14.12 H new ATOM 0 HZ3 LYS A 28 -3.067 -8.462 11.448 1.00 14.12 H new ATOM 452 N TYR A 29 1.095 -7.013 4.338 1.00 20.42 N ATOM 453 CA TYR A 29 1.896 -5.997 3.666 1.00 63.10 C ATOM 454 C TYR A 29 2.225 -4.847 4.613 1.00 30.55 C ATOM 455 O TYR A 29 1.350 -4.336 5.314 1.00 64.02 O ATOM 456 CB TYR A 29 1.156 -5.465 2.438 1.00 63.23 C ATOM 457 CG TYR A 29 1.390 -6.285 1.188 1.00 53.10 C ATOM 458 CD1 TYR A 29 2.656 -6.387 0.627 1.00 40.12 C ATOM 459 CD2 TYR A 29 0.342 -6.957 0.569 1.00 1.35 C ATOM 460 CE1 TYR A 29 2.874 -7.134 -0.514 1.00 62.03 C ATOM 461 CE2 TYR A 29 0.551 -7.707 -0.572 1.00 31.44 C ATOM 462 CZ TYR A 29 1.818 -7.793 -1.109 1.00 42.43 C ATOM 463 OH TYR A 29 2.029 -8.538 -2.247 1.00 63.10 O ATOM 0 H TYR A 29 0.190 -7.192 3.903 1.00 20.42 H new ATOM 0 HA TYR A 29 2.830 -6.459 3.348 1.00 63.10 H new ATOM 0 HB2 TYR A 29 0.087 -5.439 2.651 1.00 63.23 H new ATOM 0 HB3 TYR A 29 1.469 -4.437 2.252 1.00 63.23 H new ATOM 0 HD1 TYR A 29 3.485 -5.873 1.091 1.00 40.12 H new ATOM 0 HD2 TYR A 29 -0.652 -6.892 0.987 1.00 1.35 H new ATOM 0 HE1 TYR A 29 3.865 -7.202 -0.938 1.00 62.03 H new ATOM 0 HE2 TYR A 29 -0.274 -8.223 -1.041 1.00 31.44 H new ATOM 0 HH TYR A 29 2.548 -9.338 -2.022 1.00 63.10 H new ATOM 473 N ARG A 30 3.491 -4.445 4.628 1.00 12.50 N ATOM 474 CA ARG A 30 3.936 -3.356 5.489 1.00 65.22 C ATOM 475 C ARG A 30 4.905 -2.439 4.748 1.00 2.02 C ATOM 476 O ARG A 30 5.503 -2.829 3.744 1.00 31.44 O ATOM 477 CB ARG A 30 4.606 -3.913 6.746 1.00 4.15 C ATOM 478 CG ARG A 30 3.783 -3.724 8.009 1.00 33.54 C ATOM 479 CD ARG A 30 3.531 -5.049 8.713 1.00 14.04 C ATOM 480 NE ARG A 30 4.761 -5.625 9.251 1.00 54.44 N ATOM 481 CZ ARG A 30 4.783 -6.641 10.107 1.00 42.41 C ATOM 482 NH1 ARG A 30 3.649 -7.190 10.520 1.00 2.52 N ATOM 483 NH2 ARG A 30 5.943 -7.110 10.551 1.00 73.32 N ATOM 0 H ARG A 30 4.227 -4.857 4.054 1.00 12.50 H new ATOM 0 HA ARG A 30 3.061 -2.774 5.779 1.00 65.22 H new ATOM 0 HB2 ARG A 30 4.799 -4.976 6.604 1.00 4.15 H new ATOM 0 HB3 ARG A 30 5.573 -3.428 6.877 1.00 4.15 H new ATOM 0 HG2 ARG A 30 4.302 -3.045 8.685 1.00 33.54 H new ATOM 0 HG3 ARG A 30 2.831 -3.257 7.758 1.00 33.54 H new ATOM 0 HD2 ARG A 30 2.816 -4.899 9.522 1.00 14.04 H new ATOM 0 HD3 ARG A 30 3.078 -5.751 8.013 1.00 14.04 H new ATOM 0 HE ARG A 30 5.651 -5.226 8.953 1.00 54.44 H new ATOM 0 HH11 ARG A 30 2.756 -6.833 10.181 1.00 2.52 H new ATOM 0 HH12 ARG A 30 3.670 -7.970 11.177 1.00 2.52 H new ATOM 0 HH21 ARG A 30 6.817 -6.690 10.235 1.00 73.32 H new ATOM 0 HH22 ARG A 30 5.960 -7.890 11.208 1.00 73.32 H new ATOM 497 N LEU A 31 5.054 -1.217 5.248 1.00 43.22 N ATOM 498 CA LEU A 31 5.950 -0.243 4.634 1.00 43.50 C ATOM 499 C LEU A 31 7.274 -0.892 4.240 1.00 54.12 C ATOM 500 O LEU A 31 7.857 -0.562 3.207 1.00 1.35 O ATOM 501 CB LEU A 31 6.206 0.920 5.594 1.00 42.11 C ATOM 502 CG LEU A 31 6.030 2.323 5.010 1.00 42.13 C ATOM 503 CD1 LEU A 31 4.566 2.588 4.689 1.00 23.53 C ATOM 504 CD2 LEU A 31 6.566 3.373 5.973 1.00 71.14 C ATOM 0 H LEU A 31 4.566 -0.877 6.077 1.00 43.22 H new ATOM 0 HA LEU A 31 5.470 0.136 3.732 1.00 43.50 H new ATOM 0 HB2 LEU A 31 5.535 0.816 6.446 1.00 42.11 H new ATOM 0 HB3 LEU A 31 7.223 0.832 5.977 1.00 42.11 H new ATOM 0 HG LEU A 31 6.601 2.384 4.083 1.00 42.13 H new ATOM 0 HD11 LEU A 31 4.460 3.591 4.275 1.00 23.53 H new ATOM 0 HD12 LEU A 31 4.215 1.856 3.962 1.00 23.53 H new ATOM 0 HD13 LEU A 31 3.973 2.508 5.600 1.00 23.53 H new ATOM 0 HD21 LEU A 31 6.432 4.365 5.541 1.00 71.14 H new ATOM 0 HD22 LEU A 31 6.024 3.312 6.916 1.00 71.14 H new ATOM 0 HD23 LEU A 31 7.626 3.195 6.152 1.00 71.14 H new ATOM 516 N LYS A 32 7.741 -1.820 5.068 1.00 10.21 N ATOM 517 CA LYS A 32 8.993 -2.519 4.806 1.00 23.43 C ATOM 518 C LYS A 32 9.016 -3.081 3.388 1.00 33.25 C ATOM 519 O LYS A 32 9.988 -2.902 2.654 1.00 65.21 O ATOM 520 CB LYS A 32 9.191 -3.651 5.818 1.00 11.21 C ATOM 521 CG LYS A 32 10.414 -3.470 6.700 1.00 33.24 C ATOM 522 CD LYS A 32 11.422 -4.586 6.490 1.00 23.33 C ATOM 523 CE LYS A 32 12.481 -4.196 5.470 1.00 0.23 C ATOM 524 NZ LYS A 32 13.648 -5.122 5.499 1.00 52.43 N ATOM 0 H LYS A 32 7.271 -2.106 5.927 1.00 10.21 H new ATOM 0 HA LYS A 32 9.808 -1.802 4.907 1.00 23.43 H new ATOM 0 HB2 LYS A 32 8.305 -3.722 6.449 1.00 11.21 H new ATOM 0 HB3 LYS A 32 9.277 -4.596 5.282 1.00 11.21 H new ATOM 0 HG2 LYS A 32 10.882 -2.510 6.482 1.00 33.24 H new ATOM 0 HG3 LYS A 32 10.109 -3.446 7.746 1.00 33.24 H new ATOM 0 HD2 LYS A 32 11.901 -4.828 7.439 1.00 23.33 H new ATOM 0 HD3 LYS A 32 10.906 -5.486 6.154 1.00 23.33 H new ATOM 0 HE2 LYS A 32 12.042 -4.197 4.472 1.00 0.23 H new ATOM 0 HE3 LYS A 32 12.819 -3.179 5.669 1.00 0.23 H new ATOM 0 HZ1 LYS A 32 14.347 -4.822 4.790 1.00 52.43 H new ATOM 0 HZ2 LYS A 32 14.083 -5.103 6.443 1.00 52.43 H new ATOM 0 HZ3 LYS A 32 13.330 -6.089 5.284 1.00 52.43 H new ATOM 538 N HIS A 33 7.938 -3.761 3.009 1.00 52.42 N ATOM 539 CA HIS A 33 7.833 -4.347 1.677 1.00 71.44 C ATOM 540 C HIS A 33 7.863 -3.265 0.602 1.00 5.55 C ATOM 541 O HIS A 33 8.445 -3.528 -0.450 1.00 0.40 O ATOM 542 CB HIS A 33 6.547 -5.165 1.556 1.00 35.42 C ATOM 543 CG HIS A 33 6.449 -6.278 2.555 1.00 64.14 C ATOM 544 ND1 HIS A 33 5.566 -6.264 3.612 1.00 32.43 N ATOM 545 CD2 HIS A 33 7.130 -7.444 2.650 1.00 44.03 C ATOM 546 CE1 HIS A 33 5.708 -7.373 4.317 1.00 61.12 C ATOM 547 NE2 HIS A 33 6.651 -8.106 3.752 1.00 34.14 N ATOM 0 H HIS A 33 7.126 -3.920 3.605 1.00 52.42 H new ATOM 0 HA HIS A 33 8.689 -5.005 1.529 1.00 71.44 H new ATOM 0 HB2 HIS A 33 5.691 -4.501 1.678 1.00 35.42 H new ATOM 0 HB3 HIS A 33 6.485 -5.583 0.551 1.00 35.42 H new ATOM 0 HD2 HIS A 33 7.906 -7.789 1.983 1.00 44.03 H new ATOM 0 HE1 HIS A 33 5.149 -7.635 5.203 1.00 61.12 H new ATOM 0 HE2 HIS A 33 6.971 -9.017 4.082 1.00 34.14 H new ATOM 555 N ILE A 34 7.274 -2.096 0.831 1.00 54.52 N ATOM 556 CA ILE A 34 7.277 -1.031 -0.164 1.00 65.11 C ATOM 557 C ILE A 34 8.696 -0.545 -0.445 1.00 21.21 C ATOM 558 O ILE A 34 9.105 -0.427 -1.599 1.00 5.30 O ATOM 559 CB ILE A 34 6.418 0.165 0.287 1.00 72.42 C ATOM 560 CG1 ILE A 34 5.050 -0.318 0.775 1.00 4.20 C ATOM 561 CG2 ILE A 34 6.258 1.162 -0.852 1.00 74.20 C ATOM 562 CD1 ILE A 34 4.118 0.806 1.168 1.00 52.21 C ATOM 0 H ILE A 34 6.789 -1.863 1.697 1.00 54.52 H new ATOM 0 HA ILE A 34 6.851 -1.451 -1.075 1.00 65.11 H new ATOM 0 HB ILE A 34 6.923 0.665 1.114 1.00 72.42 H new ATOM 0 HG12 ILE A 34 4.581 -0.910 -0.011 1.00 4.20 H new ATOM 0 HG13 ILE A 34 5.191 -0.978 1.631 1.00 4.20 H new ATOM 0 HG21 ILE A 34 5.648 2.002 -0.518 1.00 74.20 H new ATOM 0 HG22 ILE A 34 7.239 1.525 -1.158 1.00 74.20 H new ATOM 0 HG23 ILE A 34 5.772 0.674 -1.697 1.00 74.20 H new ATOM 0 HD11 ILE A 34 3.168 0.390 1.504 1.00 52.21 H new ATOM 0 HD12 ILE A 34 4.566 1.385 1.976 1.00 52.21 H new ATOM 0 HD13 ILE A 34 3.947 1.454 0.309 1.00 52.21 H new ATOM 574 N VAL A 35 9.442 -0.268 0.620 1.00 60.02 N ATOM 575 CA VAL A 35 10.816 0.202 0.490 1.00 53.43 C ATOM 576 C VAL A 35 11.674 -0.810 -0.262 1.00 32.54 C ATOM 577 O VAL A 35 12.519 -0.439 -1.076 1.00 73.51 O ATOM 578 CB VAL A 35 11.450 0.473 1.867 1.00 12.01 C ATOM 579 CG1 VAL A 35 12.889 0.939 1.710 1.00 0.31 C ATOM 580 CG2 VAL A 35 10.630 1.497 2.637 1.00 32.21 C ATOM 0 H VAL A 35 9.118 -0.361 1.583 1.00 60.02 H new ATOM 0 HA VAL A 35 10.779 1.134 -0.074 1.00 53.43 H new ATOM 0 HB VAL A 35 11.455 -0.457 2.435 1.00 12.01 H new ATOM 0 HG11 VAL A 35 13.320 1.126 2.693 1.00 0.31 H new ATOM 0 HG12 VAL A 35 13.467 0.168 1.200 1.00 0.31 H new ATOM 0 HG13 VAL A 35 12.912 1.858 1.124 1.00 0.31 H new ATOM 0 HG21 VAL A 35 11.092 1.677 3.608 1.00 32.21 H new ATOM 0 HG22 VAL A 35 10.592 2.430 2.075 1.00 32.21 H new ATOM 0 HG23 VAL A 35 9.618 1.119 2.781 1.00 32.21 H new ATOM 590 N TRP A 36 11.449 -2.089 0.017 1.00 71.22 N ATOM 591 CA TRP A 36 12.201 -3.156 -0.634 1.00 44.11 C ATOM 592 C TRP A 36 11.832 -3.262 -2.109 1.00 51.01 C ATOM 593 O TRP A 36 12.592 -3.801 -2.912 1.00 1.34 O ATOM 594 CB TRP A 36 11.943 -4.491 0.067 1.00 41.42 C ATOM 595 CG TRP A 36 12.549 -5.663 -0.645 1.00 13.04 C ATOM 596 CD1 TRP A 36 13.760 -6.239 -0.391 1.00 23.42 C ATOM 597 CD2 TRP A 36 11.971 -6.399 -1.728 1.00 42.33 C ATOM 598 NE1 TRP A 36 13.971 -7.289 -1.252 1.00 23.34 N ATOM 599 CE2 TRP A 36 12.888 -7.408 -2.082 1.00 23.32 C ATOM 600 CE3 TRP A 36 10.769 -6.305 -2.434 1.00 1.34 C ATOM 601 CZ2 TRP A 36 12.638 -8.314 -3.109 1.00 20.32 C ATOM 602 CZ3 TRP A 36 10.523 -7.204 -3.453 1.00 14.01 C ATOM 603 CH2 TRP A 36 11.452 -8.199 -3.783 1.00 20.55 C ATOM 0 H TRP A 36 10.753 -2.412 0.689 1.00 71.22 H new ATOM 0 HA TRP A 36 13.261 -2.915 -0.562 1.00 44.11 H new ATOM 0 HB2 TRP A 36 12.342 -4.444 1.080 1.00 41.42 H new ATOM 0 HB3 TRP A 36 10.868 -4.645 0.155 1.00 41.42 H new ATOM 0 HD1 TRP A 36 14.451 -5.917 0.374 1.00 23.42 H new ATOM 0 HE1 TRP A 36 14.800 -7.883 -1.270 1.00 23.34 H new ATOM 0 HE3 TRP A 36 10.045 -5.543 -2.187 1.00 1.34 H new ATOM 0 HZ2 TRP A 36 13.354 -9.081 -3.365 1.00 20.32 H new ATOM 0 HZ3 TRP A 36 9.597 -7.139 -4.006 1.00 14.01 H new ATOM 0 HH2 TRP A 36 11.229 -8.888 -4.584 1.00 20.55 H new ATOM 614 N ALA A 37 10.659 -2.745 -2.459 1.00 13.25 N ATOM 615 CA ALA A 37 10.189 -2.780 -3.839 1.00 11.32 C ATOM 616 C ALA A 37 10.848 -1.684 -4.670 1.00 72.12 C ATOM 617 O ALA A 37 11.409 -1.951 -5.733 1.00 11.01 O ATOM 618 CB ALA A 37 8.674 -2.641 -3.885 1.00 23.32 C ATOM 0 H ALA A 37 10.016 -2.297 -1.806 1.00 13.25 H new ATOM 0 HA ALA A 37 10.467 -3.743 -4.268 1.00 11.32 H new ATOM 0 HB1 ALA A 37 8.337 -2.669 -4.921 1.00 23.32 H new ATOM 0 HB2 ALA A 37 8.216 -3.462 -3.333 1.00 23.32 H new ATOM 0 HB3 ALA A 37 8.382 -1.693 -3.434 1.00 23.32 H new ATOM 624 N ALA A 38 10.775 -0.451 -4.180 1.00 42.32 N ATOM 625 CA ALA A 38 11.365 0.684 -4.878 1.00 1.01 C ATOM 626 C ALA A 38 12.839 0.437 -5.180 1.00 71.14 C ATOM 627 O ALA A 38 13.351 0.867 -6.213 1.00 11.01 O ATOM 628 CB ALA A 38 11.199 1.954 -4.056 1.00 71.20 C ATOM 0 H ALA A 38 10.313 -0.213 -3.302 1.00 42.32 H new ATOM 0 HA ALA A 38 10.842 0.807 -5.826 1.00 1.01 H new ATOM 0 HB1 ALA A 38 11.644 2.794 -4.590 1.00 71.20 H new ATOM 0 HB2 ALA A 38 10.138 2.148 -3.896 1.00 71.20 H new ATOM 0 HB3 ALA A 38 11.695 1.832 -3.093 1.00 71.20 H new ATOM 634 N ASN A 39 13.516 -0.259 -4.272 1.00 52.34 N ATOM 635 CA ASN A 39 14.933 -0.562 -4.442 1.00 71.11 C ATOM 636 C ASN A 39 15.176 -1.304 -5.753 1.00 23.12 C ATOM 637 O ASN A 39 16.235 -1.172 -6.366 1.00 64.41 O ATOM 638 CB ASN A 39 15.440 -1.398 -3.267 1.00 22.41 C ATOM 639 CG ASN A 39 16.929 -1.674 -3.353 1.00 30.31 C ATOM 640 OD1 ASN A 39 17.366 -2.821 -3.259 1.00 21.04 O ATOM 641 ND2 ASN A 39 17.716 -0.620 -3.534 1.00 65.21 N ATOM 0 H ASN A 39 13.107 -0.624 -3.412 1.00 52.34 H new ATOM 0 HA ASN A 39 15.481 0.380 -4.472 1.00 71.11 H new ATOM 0 HB2 ASN A 39 15.223 -0.878 -2.334 1.00 22.41 H new ATOM 0 HB3 ASN A 39 14.899 -2.344 -3.238 1.00 22.41 H new ATOM 0 HD21 ASN A 39 18.726 -0.743 -3.601 1.00 65.21 H new ATOM 0 HD22 ASN A 39 17.310 0.313 -3.606 1.00 65.21 H new ATOM 648 N LYS A 40 14.189 -2.086 -6.176 1.00 13.42 N ATOM 649 CA LYS A 40 14.294 -2.849 -7.414 1.00 71.13 C ATOM 650 C LYS A 40 14.136 -1.939 -8.629 1.00 62.12 C ATOM 651 O LYS A 40 14.893 -2.040 -9.595 1.00 54.23 O ATOM 652 CB LYS A 40 13.234 -3.952 -7.449 1.00 21.30 C ATOM 653 CG LYS A 40 13.809 -5.352 -7.329 1.00 21.14 C ATOM 654 CD LYS A 40 14.689 -5.698 -8.519 1.00 74.02 C ATOM 655 CE LYS A 40 15.919 -6.485 -8.093 1.00 41.23 C ATOM 656 NZ LYS A 40 16.043 -7.767 -8.841 1.00 14.32 N ATOM 0 H LYS A 40 13.307 -2.208 -5.679 1.00 13.42 H new ATOM 0 HA LYS A 40 15.284 -3.304 -7.448 1.00 71.13 H new ATOM 0 HB2 LYS A 40 12.525 -3.789 -6.637 1.00 21.30 H new ATOM 0 HB3 LYS A 40 12.674 -3.877 -8.381 1.00 21.30 H new ATOM 0 HG2 LYS A 40 14.391 -5.430 -6.410 1.00 21.14 H new ATOM 0 HG3 LYS A 40 12.997 -6.075 -7.254 1.00 21.14 H new ATOM 0 HD2 LYS A 40 14.115 -6.280 -9.240 1.00 74.02 H new ATOM 0 HD3 LYS A 40 14.998 -4.782 -9.023 1.00 74.02 H new ATOM 0 HE2 LYS A 40 16.811 -5.881 -8.257 1.00 41.23 H new ATOM 0 HE3 LYS A 40 15.866 -6.692 -7.024 1.00 41.23 H new ATOM 0 HZ1 LYS A 40 16.893 -8.274 -8.522 1.00 14.32 H new ATOM 0 HZ2 LYS A 40 15.203 -8.354 -8.665 1.00 14.32 H new ATOM 0 HZ3 LYS A 40 16.119 -7.569 -9.859 1.00 14.32 H new ATOM 670 N LEU A 41 13.149 -1.052 -8.573 1.00 1.23 N ATOM 671 CA LEU A 41 12.893 -0.123 -9.668 1.00 1.30 C ATOM 672 C LEU A 41 14.160 0.643 -10.041 1.00 34.40 C ATOM 673 O LEU A 41 14.325 1.069 -11.184 1.00 71.42 O ATOM 674 CB LEU A 41 11.786 0.860 -9.282 1.00 24.14 C ATOM 675 CG LEU A 41 10.439 0.239 -8.910 1.00 12.21 C ATOM 676 CD1 LEU A 41 9.594 1.231 -8.124 1.00 71.15 C ATOM 677 CD2 LEU A 41 9.701 -0.220 -10.159 1.00 65.22 C ATOM 0 H LEU A 41 12.513 -0.956 -7.781 1.00 1.23 H new ATOM 0 HA LEU A 41 12.571 -0.702 -10.534 1.00 1.30 H new ATOM 0 HB2 LEU A 41 12.134 1.456 -8.439 1.00 24.14 H new ATOM 0 HB3 LEU A 41 11.630 1.546 -10.114 1.00 24.14 H new ATOM 0 HG LEU A 41 10.622 -0.631 -8.280 1.00 12.21 H new ATOM 0 HD11 LEU A 41 8.639 0.772 -7.868 1.00 71.15 H new ATOM 0 HD12 LEU A 41 10.118 1.512 -7.211 1.00 71.15 H new ATOM 0 HD13 LEU A 41 9.419 2.120 -8.730 1.00 71.15 H new ATOM 0 HD21 LEU A 41 8.745 -0.659 -9.876 1.00 65.22 H new ATOM 0 HD22 LEU A 41 9.528 0.634 -10.814 1.00 65.22 H new ATOM 0 HD23 LEU A 41 10.301 -0.964 -10.683 1.00 65.22 H new ATOM 689 N ASP A 42 15.051 0.810 -9.070 1.00 32.52 N ATOM 690 CA ASP A 42 16.304 1.520 -9.297 1.00 20.45 C ATOM 691 C ASP A 42 17.262 0.678 -10.132 1.00 71.42 C ATOM 692 O ASP A 42 17.845 1.162 -11.103 1.00 20.31 O ATOM 693 CB ASP A 42 16.957 1.886 -7.963 1.00 34.43 C ATOM 694 CG ASP A 42 18.357 2.441 -8.136 1.00 13.24 C ATOM 695 OD1 ASP A 42 18.527 3.377 -8.944 1.00 0.02 O ATOM 696 OD2 ASP A 42 19.282 1.939 -7.463 1.00 62.45 O ATOM 0 H ASP A 42 14.929 0.463 -8.118 1.00 32.52 H new ATOM 0 HA ASP A 42 16.080 2.435 -9.846 1.00 20.45 H new ATOM 0 HB2 ASP A 42 16.339 2.622 -7.449 1.00 34.43 H new ATOM 0 HB3 ASP A 42 16.996 1.002 -7.326 1.00 34.43 H new ATOM 701 N ARG A 43 17.422 -0.584 -9.748 1.00 72.20 N ATOM 702 CA ARG A 43 18.311 -1.494 -10.460 1.00 41.50 C ATOM 703 C ARG A 43 18.002 -1.497 -11.954 1.00 75.34 C ATOM 704 O ARG A 43 18.860 -1.820 -12.776 1.00 42.14 O ATOM 705 CB ARG A 43 18.183 -2.911 -9.899 1.00 21.55 C ATOM 706 CG ARG A 43 19.420 -3.767 -10.118 1.00 14.22 C ATOM 707 CD ARG A 43 20.465 -3.522 -9.041 1.00 3.54 C ATOM 708 NE ARG A 43 20.102 -4.151 -7.773 1.00 41.25 N ATOM 709 CZ ARG A 43 20.285 -5.440 -7.513 1.00 71.34 C ATOM 710 NH1 ARG A 43 20.824 -6.235 -8.429 1.00 52.42 N ATOM 711 NH2 ARG A 43 19.929 -5.939 -6.336 1.00 45.21 N ATOM 0 H ARG A 43 16.947 -1.000 -8.947 1.00 72.20 H new ATOM 0 HA ARG A 43 19.334 -1.146 -10.318 1.00 41.50 H new ATOM 0 HB2 ARG A 43 17.977 -2.852 -8.830 1.00 21.55 H new ATOM 0 HB3 ARG A 43 17.326 -3.400 -10.363 1.00 21.55 H new ATOM 0 HG2 ARG A 43 19.139 -4.820 -10.121 1.00 14.22 H new ATOM 0 HG3 ARG A 43 19.847 -3.548 -11.097 1.00 14.22 H new ATOM 0 HD2 ARG A 43 21.428 -3.909 -9.375 1.00 3.54 H new ATOM 0 HD3 ARG A 43 20.587 -2.449 -8.892 1.00 3.54 H new ATOM 0 HE ARG A 43 19.685 -3.568 -7.048 1.00 41.25 H new ATOM 0 HH11 ARG A 43 21.099 -5.856 -9.335 1.00 52.42 H new ATOM 0 HH12 ARG A 43 20.964 -7.225 -8.227 1.00 52.42 H new ATOM 0 HH21 ARG A 43 19.514 -5.332 -5.629 1.00 45.21 H new ATOM 0 HH22 ARG A 43 20.070 -6.930 -6.138 1.00 45.21 H new ATOM 725 N PHE A 44 16.769 -1.138 -12.299 1.00 64.31 N ATOM 726 CA PHE A 44 16.347 -1.101 -13.694 1.00 75.00 C ATOM 727 C PHE A 44 16.360 0.328 -14.229 1.00 53.21 C ATOM 728 O PHE A 44 16.808 0.579 -15.348 1.00 14.34 O ATOM 729 CB PHE A 44 14.945 -1.700 -13.841 1.00 2.45 C ATOM 730 CG PHE A 44 14.842 -3.113 -13.343 1.00 33.24 C ATOM 731 CD1 PHE A 44 15.489 -4.143 -14.006 1.00 42.20 C ATOM 732 CD2 PHE A 44 14.099 -3.411 -12.212 1.00 72.20 C ATOM 733 CE1 PHE A 44 15.395 -5.445 -13.550 1.00 60.12 C ATOM 734 CE2 PHE A 44 14.001 -4.711 -11.752 1.00 64.11 C ATOM 735 CZ PHE A 44 14.651 -5.729 -12.421 1.00 42.23 C ATOM 0 H PHE A 44 16.046 -0.869 -11.632 1.00 64.31 H new ATOM 0 HA PHE A 44 17.052 -1.695 -14.276 1.00 75.00 H new ATOM 0 HB2 PHE A 44 14.234 -1.079 -13.296 1.00 2.45 H new ATOM 0 HB3 PHE A 44 14.655 -1.671 -14.891 1.00 2.45 H new ATOM 0 HD1 PHE A 44 16.073 -3.927 -14.888 1.00 42.20 H new ATOM 0 HD2 PHE A 44 13.590 -2.618 -11.684 1.00 72.20 H new ATOM 0 HE1 PHE A 44 15.903 -6.240 -14.076 1.00 60.12 H new ATOM 0 HE2 PHE A 44 13.417 -4.930 -10.870 1.00 64.11 H new ATOM 0 HZ PHE A 44 14.578 -6.745 -12.063 1.00 42.23 H new ATOM 745 N GLY A 45 15.865 1.261 -13.422 1.00 75.31 N ATOM 746 CA GLY A 45 15.828 2.652 -13.831 1.00 14.40 C ATOM 747 C GLY A 45 14.508 3.319 -13.499 1.00 51.01 C ATOM 748 O GLY A 45 14.479 4.463 -13.042 1.00 35.01 O ATOM 0 H GLY A 45 15.489 1.078 -12.492 1.00 75.31 H new ATOM 0 HA2 GLY A 45 16.638 3.193 -13.342 1.00 14.40 H new ATOM 0 HA3 GLY A 45 16.004 2.717 -14.905 1.00 14.40 H new ATOM 752 N LEU A 46 13.411 2.606 -13.733 1.00 31.33 N ATOM 753 CA LEU A 46 12.081 3.137 -13.457 1.00 73.24 C ATOM 754 C LEU A 46 12.065 3.915 -12.145 1.00 2.21 C ATOM 755 O LEU A 46 12.724 3.534 -11.178 1.00 62.10 O ATOM 756 CB LEU A 46 11.058 2.000 -13.400 1.00 22.30 C ATOM 757 CG LEU A 46 10.305 1.709 -14.699 1.00 1.11 C ATOM 758 CD1 LEU A 46 10.618 0.306 -15.194 1.00 74.01 C ATOM 759 CD2 LEU A 46 8.807 1.884 -14.497 1.00 23.03 C ATOM 0 H LEU A 46 13.417 1.659 -14.113 1.00 31.33 H new ATOM 0 HA LEU A 46 11.815 3.818 -14.265 1.00 73.24 H new ATOM 0 HB2 LEU A 46 11.572 1.090 -13.090 1.00 22.30 H new ATOM 0 HB3 LEU A 46 10.328 2.233 -12.625 1.00 22.30 H new ATOM 0 HG LEU A 46 10.635 2.421 -15.456 1.00 1.11 H new ATOM 0 HD11 LEU A 46 10.073 0.117 -16.119 1.00 74.01 H new ATOM 0 HD12 LEU A 46 11.689 0.215 -15.378 1.00 74.01 H new ATOM 0 HD13 LEU A 46 10.317 -0.421 -14.440 1.00 74.01 H new ATOM 0 HD21 LEU A 46 8.287 1.673 -15.431 1.00 23.03 H new ATOM 0 HD22 LEU A 46 8.461 1.196 -13.726 1.00 23.03 H new ATOM 0 HD23 LEU A 46 8.599 2.909 -14.189 1.00 23.03 H new ATOM 771 N ALA A 47 11.306 5.006 -12.120 1.00 25.14 N ATOM 772 CA ALA A 47 11.202 5.835 -10.926 1.00 3.40 C ATOM 773 C ALA A 47 10.442 5.112 -9.820 1.00 2.42 C ATOM 774 O ALA A 47 9.550 4.308 -10.090 1.00 44.23 O ATOM 775 CB ALA A 47 10.523 7.156 -11.259 1.00 34.13 C ATOM 0 H ALA A 47 10.755 5.336 -12.912 1.00 25.14 H new ATOM 0 HA ALA A 47 12.210 6.037 -10.565 1.00 3.40 H new ATOM 0 HB1 ALA A 47 10.452 7.766 -10.358 1.00 34.13 H new ATOM 0 HB2 ALA A 47 11.108 7.686 -12.011 1.00 34.13 H new ATOM 0 HB3 ALA A 47 9.523 6.963 -11.647 1.00 34.13 H new ATOM 781 N GLU A 48 10.803 5.403 -8.573 1.00 72.25 N ATOM 782 CA GLU A 48 10.155 4.777 -7.426 1.00 72.44 C ATOM 783 C GLU A 48 8.836 5.473 -7.100 1.00 3.34 C ATOM 784 O GLU A 48 7.932 4.872 -6.520 1.00 42.33 O ATOM 785 CB GLU A 48 11.079 4.813 -6.208 1.00 14.33 C ATOM 786 CG GLU A 48 11.541 6.212 -5.835 1.00 55.32 C ATOM 787 CD GLU A 48 13.016 6.268 -5.491 1.00 60.20 C ATOM 788 OE1 GLU A 48 13.816 5.622 -6.200 1.00 31.22 O ATOM 789 OE2 GLU A 48 13.371 6.958 -4.512 1.00 52.14 O ATOM 0 H GLU A 48 11.539 6.067 -8.332 1.00 72.25 H new ATOM 0 HA GLU A 48 9.944 3.739 -7.682 1.00 72.44 H new ATOM 0 HB2 GLU A 48 10.561 4.372 -5.357 1.00 14.33 H new ATOM 0 HB3 GLU A 48 11.952 4.192 -6.407 1.00 14.33 H new ATOM 0 HG2 GLU A 48 11.339 6.890 -6.664 1.00 55.32 H new ATOM 0 HG3 GLU A 48 10.960 6.567 -4.984 1.00 55.32 H new ATOM 796 N SER A 49 8.737 6.745 -7.474 1.00 74.32 N ATOM 797 CA SER A 49 7.531 7.525 -7.218 1.00 23.01 C ATOM 798 C SER A 49 6.366 7.017 -8.061 1.00 53.33 C ATOM 799 O SER A 49 5.219 7.424 -7.867 1.00 63.41 O ATOM 800 CB SER A 49 7.784 9.004 -7.513 1.00 63.11 C ATOM 801 OG SER A 49 7.151 9.831 -6.552 1.00 42.24 O ATOM 0 H SER A 49 9.477 7.257 -7.955 1.00 74.32 H new ATOM 0 HA SER A 49 7.270 7.411 -6.166 1.00 23.01 H new ATOM 0 HB2 SER A 49 8.856 9.199 -7.516 1.00 63.11 H new ATOM 0 HB3 SER A 49 7.413 9.248 -8.508 1.00 63.11 H new ATOM 0 HG SER A 49 7.329 10.772 -6.762 1.00 42.24 H new ATOM 807 N LEU A 50 6.667 6.127 -9.001 1.00 32.11 N ATOM 808 CA LEU A 50 5.645 5.563 -9.875 1.00 50.14 C ATOM 809 C LEU A 50 4.808 4.524 -9.136 1.00 41.42 C ATOM 810 O LEU A 50 3.852 3.977 -9.686 1.00 33.51 O ATOM 811 CB LEU A 50 6.295 4.929 -11.107 1.00 55.12 C ATOM 812 CG LEU A 50 7.037 5.885 -12.042 1.00 35.53 C ATOM 813 CD1 LEU A 50 7.876 5.107 -13.044 1.00 51.31 C ATOM 814 CD2 LEU A 50 6.055 6.798 -12.761 1.00 12.22 C ATOM 0 H LEU A 50 7.610 5.781 -9.177 1.00 32.11 H new ATOM 0 HA LEU A 50 4.987 6.372 -10.193 1.00 50.14 H new ATOM 0 HB2 LEU A 50 6.996 4.165 -10.771 1.00 55.12 H new ATOM 0 HB3 LEU A 50 5.520 4.420 -11.681 1.00 55.12 H new ATOM 0 HG LEU A 50 7.705 6.504 -11.442 1.00 35.53 H new ATOM 0 HD11 LEU A 50 8.397 5.804 -13.701 1.00 51.31 H new ATOM 0 HD12 LEU A 50 8.605 4.496 -12.512 1.00 51.31 H new ATOM 0 HD13 LEU A 50 7.228 4.463 -13.639 1.00 51.31 H new ATOM 0 HD21 LEU A 50 6.601 7.471 -13.422 1.00 12.22 H new ATOM 0 HD22 LEU A 50 5.362 6.196 -13.349 1.00 12.22 H new ATOM 0 HD23 LEU A 50 5.498 7.382 -12.028 1.00 12.22 H new ATOM 826 N LEU A 51 5.173 4.259 -7.887 1.00 34.14 N ATOM 827 CA LEU A 51 4.454 3.287 -7.070 1.00 51.33 C ATOM 828 C LEU A 51 3.175 3.894 -6.501 1.00 4.53 C ATOM 829 O LEU A 51 2.428 3.231 -5.783 1.00 22.32 O ATOM 830 CB LEU A 51 5.345 2.789 -5.932 1.00 63.24 C ATOM 831 CG LEU A 51 6.082 1.472 -6.184 1.00 40.21 C ATOM 832 CD1 LEU A 51 7.215 1.295 -5.185 1.00 70.14 C ATOM 833 CD2 LEU A 51 5.116 0.299 -6.111 1.00 61.13 C ATOM 0 H LEU A 51 5.962 4.703 -7.418 1.00 34.14 H new ATOM 0 HA LEU A 51 4.183 2.444 -7.706 1.00 51.33 H new ATOM 0 HB2 LEU A 51 6.084 3.559 -5.712 1.00 63.24 H new ATOM 0 HB3 LEU A 51 4.730 2.673 -5.040 1.00 63.24 H new ATOM 0 HG LEU A 51 6.510 1.503 -7.186 1.00 40.21 H new ATOM 0 HD11 LEU A 51 7.728 0.353 -5.380 1.00 70.14 H new ATOM 0 HD12 LEU A 51 7.921 2.120 -5.285 1.00 70.14 H new ATOM 0 HD13 LEU A 51 6.810 1.285 -4.173 1.00 70.14 H new ATOM 0 HD21 LEU A 51 5.657 -0.630 -6.293 1.00 61.13 H new ATOM 0 HD22 LEU A 51 4.659 0.265 -5.122 1.00 61.13 H new ATOM 0 HD23 LEU A 51 4.339 0.420 -6.866 1.00 61.13 H new ATOM 845 N GLU A 52 2.930 5.159 -6.828 1.00 54.33 N ATOM 846 CA GLU A 52 1.741 5.855 -6.350 1.00 34.51 C ATOM 847 C GLU A 52 0.867 6.304 -7.517 1.00 33.33 C ATOM 848 O GLU A 52 0.038 7.204 -7.376 1.00 23.32 O ATOM 849 CB GLU A 52 2.137 7.064 -5.500 1.00 20.33 C ATOM 850 CG GLU A 52 2.942 8.105 -6.260 1.00 75.30 C ATOM 851 CD GLU A 52 2.347 9.495 -6.153 1.00 54.03 C ATOM 852 OE1 GLU A 52 2.640 10.190 -5.158 1.00 72.20 O ATOM 853 OE2 GLU A 52 1.586 9.887 -7.063 1.00 44.02 O ATOM 0 H GLU A 52 3.539 5.722 -7.422 1.00 54.33 H new ATOM 0 HA GLU A 52 1.168 5.161 -5.736 1.00 34.51 H new ATOM 0 HB2 GLU A 52 1.235 7.531 -5.106 1.00 20.33 H new ATOM 0 HB3 GLU A 52 2.718 6.721 -4.644 1.00 20.33 H new ATOM 0 HG2 GLU A 52 3.962 8.120 -5.877 1.00 75.30 H new ATOM 0 HG3 GLU A 52 3.000 7.819 -7.310 1.00 75.30 H new ATOM 860 N SER A 53 1.058 5.670 -8.670 1.00 70.11 N ATOM 861 CA SER A 53 0.291 6.007 -9.864 1.00 14.21 C ATOM 862 C SER A 53 -0.142 4.746 -10.604 1.00 74.12 C ATOM 863 O SER A 53 0.674 3.872 -10.898 1.00 31.32 O ATOM 864 CB SER A 53 1.117 6.900 -10.791 1.00 74.14 C ATOM 865 OG SER A 53 0.829 6.626 -12.151 1.00 73.23 O ATOM 0 H SER A 53 1.737 4.920 -8.803 1.00 70.11 H new ATOM 0 HA SER A 53 -0.602 6.549 -9.552 1.00 14.21 H new ATOM 0 HB2 SER A 53 0.906 7.947 -10.575 1.00 74.14 H new ATOM 0 HB3 SER A 53 2.179 6.743 -10.602 1.00 74.14 H new ATOM 0 HG SER A 53 1.368 7.210 -12.724 1.00 73.23 H new ATOM 871 N LYS A 54 -1.434 4.658 -10.905 1.00 60.12 N ATOM 872 CA LYS A 54 -1.978 3.505 -11.613 1.00 44.14 C ATOM 873 C LYS A 54 -1.200 3.238 -12.898 1.00 11.22 C ATOM 874 O LYS A 54 -0.765 2.115 -13.148 1.00 44.12 O ATOM 875 CB LYS A 54 -3.456 3.732 -11.938 1.00 72.04 C ATOM 876 CG LYS A 54 -4.330 2.517 -11.680 1.00 22.53 C ATOM 877 CD LYS A 54 -5.242 2.224 -12.858 1.00 63.45 C ATOM 878 CE LYS A 54 -6.222 3.361 -13.100 1.00 12.23 C ATOM 879 NZ LYS A 54 -6.007 4.008 -14.424 1.00 32.15 N ATOM 0 H LYS A 54 -2.124 5.372 -10.669 1.00 60.12 H new ATOM 0 HA LYS A 54 -1.884 2.634 -10.964 1.00 44.14 H new ATOM 0 HB2 LYS A 54 -3.826 4.568 -11.344 1.00 72.04 H new ATOM 0 HB3 LYS A 54 -3.549 4.020 -12.985 1.00 72.04 H new ATOM 0 HG2 LYS A 54 -3.700 1.650 -11.483 1.00 22.53 H new ATOM 0 HG3 LYS A 54 -4.931 2.684 -10.786 1.00 22.53 H new ATOM 0 HD2 LYS A 54 -4.641 2.063 -13.753 1.00 63.45 H new ATOM 0 HD3 LYS A 54 -5.792 1.301 -12.673 1.00 63.45 H new ATOM 0 HE2 LYS A 54 -7.242 2.980 -13.044 1.00 12.23 H new ATOM 0 HE3 LYS A 54 -6.116 4.105 -12.311 1.00 12.23 H new ATOM 0 HZ1 LYS A 54 -6.435 4.956 -14.421 1.00 32.15 H new ATOM 0 HZ2 LYS A 54 -4.987 4.089 -14.609 1.00 32.15 H new ATOM 0 HZ3 LYS A 54 -6.449 3.431 -15.168 1.00 32.15 H new ATOM 893 N GLU A 55 -1.027 4.279 -13.707 1.00 41.23 N ATOM 894 CA GLU A 55 -0.300 4.155 -14.965 1.00 2.42 C ATOM 895 C GLU A 55 1.144 3.730 -14.719 1.00 65.04 C ATOM 896 O GLU A 55 1.702 2.927 -15.465 1.00 21.32 O ATOM 897 CB GLU A 55 -0.330 5.481 -15.730 1.00 74.52 C ATOM 898 CG GLU A 55 -1.689 5.807 -16.328 1.00 43.00 C ATOM 899 CD GLU A 55 -2.239 4.678 -17.178 1.00 21.15 C ATOM 900 OE1 GLU A 55 -1.559 4.279 -18.147 1.00 1.43 O ATOM 901 OE2 GLU A 55 -3.349 4.192 -16.873 1.00 45.03 O ATOM 0 H GLU A 55 -1.380 5.216 -13.514 1.00 41.23 H new ATOM 0 HA GLU A 55 -0.790 3.387 -15.564 1.00 2.42 H new ATOM 0 HB2 GLU A 55 -0.036 6.286 -15.057 1.00 74.52 H new ATOM 0 HB3 GLU A 55 0.411 5.447 -16.529 1.00 74.52 H new ATOM 0 HG2 GLU A 55 -2.392 6.027 -15.524 1.00 43.00 H new ATOM 0 HG3 GLU A 55 -1.607 6.708 -16.936 1.00 43.00 H new ATOM 908 N GLY A 56 1.745 4.276 -13.666 1.00 40.55 N ATOM 909 CA GLY A 56 3.119 3.944 -13.340 1.00 70.02 C ATOM 910 C GLY A 56 3.294 2.478 -12.992 1.00 42.23 C ATOM 911 O GLY A 56 4.204 1.819 -13.495 1.00 51.02 O ATOM 0 H GLY A 56 1.304 4.943 -13.033 1.00 40.55 H new ATOM 0 HA2 GLY A 56 3.760 4.193 -14.186 1.00 70.02 H new ATOM 0 HA3 GLY A 56 3.448 4.556 -12.500 1.00 70.02 H new ATOM 915 N CYS A 57 2.422 1.970 -12.129 1.00 71.42 N ATOM 916 CA CYS A 57 2.485 0.573 -11.713 1.00 34.34 C ATOM 917 C CYS A 57 2.109 -0.355 -12.862 1.00 44.05 C ATOM 918 O CYS A 57 2.554 -1.501 -12.918 1.00 72.23 O ATOM 919 CB CYS A 57 1.556 0.332 -10.522 1.00 21.14 C ATOM 920 SG CYS A 57 2.311 0.677 -8.915 1.00 33.20 S ATOM 0 H CYS A 57 1.664 2.503 -11.704 1.00 71.42 H new ATOM 0 HA CYS A 57 3.511 0.355 -11.415 1.00 34.34 H new ATOM 0 HB2 CYS A 57 0.668 0.954 -10.636 1.00 21.14 H new ATOM 0 HB3 CYS A 57 1.222 -0.705 -10.539 1.00 21.14 H new ATOM 0 HG CYS A 57 1.636 1.609 -8.309 1.00 33.20 H new ATOM 926 N GLN A 58 1.286 0.148 -13.778 1.00 25.34 N ATOM 927 CA GLN A 58 0.849 -0.638 -14.925 1.00 54.25 C ATOM 928 C GLN A 58 2.027 -0.980 -15.832 1.00 40.21 C ATOM 929 O GLN A 58 2.146 -2.107 -16.314 1.00 53.44 O ATOM 930 CB GLN A 58 -0.215 0.126 -15.717 1.00 64.53 C ATOM 931 CG GLN A 58 -1.158 -0.777 -16.495 1.00 35.43 C ATOM 932 CD GLN A 58 -0.951 -0.688 -17.993 1.00 64.31 C ATOM 933 OE1 GLN A 58 -1.184 0.356 -18.603 1.00 14.21 O ATOM 934 NE2 GLN A 58 -0.506 -1.784 -18.597 1.00 31.33 N ATOM 0 H GLN A 58 0.909 1.095 -13.747 1.00 25.34 H new ATOM 0 HA GLN A 58 0.418 -1.568 -14.554 1.00 54.25 H new ATOM 0 HB2 GLN A 58 -0.797 0.740 -15.029 1.00 64.53 H new ATOM 0 HB3 GLN A 58 0.279 0.806 -16.411 1.00 64.53 H new ATOM 0 HG2 GLN A 58 -1.014 -1.809 -16.173 1.00 35.43 H new ATOM 0 HG3 GLN A 58 -2.188 -0.510 -16.258 1.00 35.43 H new ATOM 0 HE21 GLN A 58 -0.326 -2.628 -18.054 1.00 31.33 H new ATOM 0 HE22 GLN A 58 -0.345 -1.781 -19.604 1.00 31.33 H new ATOM 943 N LYS A 59 2.895 -0.001 -16.060 1.00 4.05 N ATOM 944 CA LYS A 59 4.065 -0.197 -16.908 1.00 32.00 C ATOM 945 C LYS A 59 5.124 -1.030 -16.191 1.00 13.45 C ATOM 946 O LYS A 59 6.101 -1.465 -16.800 1.00 61.30 O ATOM 947 CB LYS A 59 4.656 1.154 -17.318 1.00 30.44 C ATOM 948 CG LYS A 59 4.302 1.567 -18.736 1.00 4.02 C ATOM 949 CD LYS A 59 5.516 2.094 -19.482 1.00 62.14 C ATOM 950 CE LYS A 59 5.668 3.597 -19.308 1.00 63.03 C ATOM 951 NZ LYS A 59 6.913 4.106 -19.948 1.00 52.12 N ATOM 0 H LYS A 59 2.811 0.937 -15.669 1.00 4.05 H new ATOM 0 HA LYS A 59 3.748 -0.735 -17.802 1.00 32.00 H new ATOM 0 HB2 LYS A 59 4.304 1.920 -16.627 1.00 30.44 H new ATOM 0 HB3 LYS A 59 5.741 1.111 -17.221 1.00 30.44 H new ATOM 0 HG2 LYS A 59 3.887 0.713 -19.272 1.00 4.02 H new ATOM 0 HG3 LYS A 59 3.528 2.334 -18.710 1.00 4.02 H new ATOM 0 HD2 LYS A 59 6.413 1.592 -19.120 1.00 62.14 H new ATOM 0 HD3 LYS A 59 5.424 1.857 -20.542 1.00 62.14 H new ATOM 0 HE2 LYS A 59 4.804 4.102 -19.741 1.00 63.03 H new ATOM 0 HE3 LYS A 59 5.680 3.840 -18.246 1.00 63.03 H new ATOM 0 HZ1 LYS A 59 6.980 5.134 -19.807 1.00 52.12 H new ATOM 0 HZ2 LYS A 59 7.739 3.643 -19.518 1.00 52.12 H new ATOM 0 HZ3 LYS A 59 6.890 3.897 -20.966 1.00 52.12 H new ATOM 965 N ILE A 60 4.921 -1.248 -14.896 1.00 51.35 N ATOM 966 CA ILE A 60 5.856 -2.031 -14.098 1.00 52.54 C ATOM 967 C ILE A 60 5.488 -3.511 -14.115 1.00 20.43 C ATOM 968 O ILE A 60 6.358 -4.377 -14.214 1.00 24.32 O ATOM 969 CB ILE A 60 5.899 -1.541 -12.638 1.00 61.15 C ATOM 970 CG1 ILE A 60 6.442 -0.112 -12.574 1.00 14.32 C ATOM 971 CG2 ILE A 60 6.748 -2.476 -11.791 1.00 45.30 C ATOM 972 CD1 ILE A 60 6.081 0.614 -11.297 1.00 11.12 C ATOM 0 H ILE A 60 4.117 -0.893 -14.377 1.00 51.35 H new ATOM 0 HA ILE A 60 6.841 -1.898 -14.546 1.00 52.54 H new ATOM 0 HB ILE A 60 4.885 -1.542 -12.238 1.00 61.15 H new ATOM 0 HG12 ILE A 60 7.527 -0.139 -12.673 1.00 14.32 H new ATOM 0 HG13 ILE A 60 6.059 0.452 -13.424 1.00 14.32 H new ATOM 0 HG21 ILE A 60 6.769 -2.117 -10.762 1.00 45.30 H new ATOM 0 HG22 ILE A 60 6.321 -3.479 -11.817 1.00 45.30 H new ATOM 0 HG23 ILE A 60 7.763 -2.504 -12.186 1.00 45.30 H new ATOM 0 HD11 ILE A 60 6.499 1.621 -11.320 1.00 11.12 H new ATOM 0 HD12 ILE A 60 4.996 0.673 -11.206 1.00 11.12 H new ATOM 0 HD13 ILE A 60 6.488 0.072 -10.443 1.00 11.12 H new ATOM 984 N LEU A 61 4.194 -3.794 -14.020 1.00 31.31 N ATOM 985 CA LEU A 61 3.709 -5.171 -14.026 1.00 44.22 C ATOM 986 C LEU A 61 3.967 -5.832 -15.376 1.00 51.33 C ATOM 987 O LEU A 61 4.141 -7.048 -15.461 1.00 61.51 O ATOM 988 CB LEU A 61 2.215 -5.207 -13.704 1.00 30.41 C ATOM 989 CG LEU A 61 1.841 -5.027 -12.232 1.00 13.43 C ATOM 990 CD1 LEU A 61 0.339 -4.840 -12.082 1.00 61.03 C ATOM 991 CD2 LEU A 61 2.317 -6.216 -11.411 1.00 42.23 C ATOM 0 H LEU A 61 3.461 -3.089 -13.938 1.00 31.31 H new ATOM 0 HA LEU A 61 4.252 -5.726 -13.261 1.00 44.22 H new ATOM 0 HB2 LEU A 61 1.720 -4.426 -14.282 1.00 30.41 H new ATOM 0 HB3 LEU A 61 1.813 -6.160 -14.046 1.00 30.41 H new ATOM 0 HG LEU A 61 2.337 -4.131 -11.858 1.00 13.43 H new ATOM 0 HD11 LEU A 61 0.092 -4.713 -11.028 1.00 61.03 H new ATOM 0 HD12 LEU A 61 0.025 -3.956 -12.637 1.00 61.03 H new ATOM 0 HD13 LEU A 61 -0.178 -5.716 -12.473 1.00 61.03 H new ATOM 0 HD21 LEU A 61 2.042 -6.070 -10.366 1.00 42.23 H new ATOM 0 HD22 LEU A 61 1.850 -7.127 -11.785 1.00 42.23 H new ATOM 0 HD23 LEU A 61 3.400 -6.304 -11.492 1.00 42.23 H new ATOM 1003 N THR A 62 3.991 -5.024 -16.431 1.00 11.33 N ATOM 1004 CA THR A 62 4.228 -5.529 -17.777 1.00 41.04 C ATOM 1005 C THR A 62 5.676 -5.974 -17.951 1.00 31.24 C ATOM 1006 O THR A 62 5.960 -6.924 -18.679 1.00 25.34 O ATOM 1007 CB THR A 62 3.898 -4.467 -18.843 1.00 25.53 C ATOM 1008 OG1 THR A 62 3.662 -5.098 -20.106 1.00 43.11 O ATOM 1009 CG2 THR A 62 5.034 -3.463 -18.975 1.00 53.32 C ATOM 0 H THR A 62 3.849 -4.015 -16.379 1.00 11.33 H new ATOM 0 HA THR A 62 3.568 -6.386 -17.913 1.00 41.04 H new ATOM 0 HB THR A 62 2.999 -3.936 -18.530 1.00 25.53 H new ATOM 0 HG1 THR A 62 3.451 -4.416 -20.778 1.00 43.11 H new ATOM 0 HG21 THR A 62 4.779 -2.723 -19.733 1.00 53.32 H new ATOM 0 HG22 THR A 62 5.191 -2.964 -18.019 1.00 53.32 H new ATOM 0 HG23 THR A 62 5.947 -3.982 -19.268 1.00 53.32 H new ATOM 1017 N VAL A 63 6.587 -5.281 -17.275 1.00 63.11 N ATOM 1018 CA VAL A 63 8.007 -5.606 -17.353 1.00 73.43 C ATOM 1019 C VAL A 63 8.369 -6.723 -16.380 1.00 42.41 C ATOM 1020 O VAL A 63 9.302 -7.491 -16.618 1.00 2.42 O ATOM 1021 CB VAL A 63 8.882 -4.375 -17.055 1.00 23.12 C ATOM 1022 CG1 VAL A 63 10.357 -4.743 -17.103 1.00 32.23 C ATOM 1023 CG2 VAL A 63 8.573 -3.253 -18.034 1.00 11.42 C ATOM 0 H VAL A 63 6.368 -4.492 -16.668 1.00 63.11 H new ATOM 0 HA VAL A 63 8.200 -5.940 -18.372 1.00 73.43 H new ATOM 0 HB VAL A 63 8.653 -4.023 -16.049 1.00 23.12 H new ATOM 0 HG11 VAL A 63 10.959 -3.860 -16.890 1.00 32.23 H new ATOM 0 HG12 VAL A 63 10.565 -5.512 -16.359 1.00 32.23 H new ATOM 0 HG13 VAL A 63 10.606 -5.121 -18.095 1.00 32.23 H new ATOM 0 HG21 VAL A 63 9.200 -2.391 -17.809 1.00 11.42 H new ATOM 0 HG22 VAL A 63 8.773 -3.592 -19.051 1.00 11.42 H new ATOM 0 HG23 VAL A 63 7.524 -2.971 -17.945 1.00 11.42 H new ATOM 1033 N LEU A 64 7.626 -6.806 -15.282 1.00 30.14 N ATOM 1034 CA LEU A 64 7.868 -7.829 -14.270 1.00 62.53 C ATOM 1035 C LEU A 64 7.072 -9.095 -14.575 1.00 3.23 C ATOM 1036 O LEU A 64 7.359 -10.164 -14.037 1.00 42.02 O ATOM 1037 CB LEU A 64 7.498 -7.301 -12.884 1.00 5.32 C ATOM 1038 CG LEU A 64 8.345 -6.140 -12.360 1.00 55.54 C ATOM 1039 CD1 LEU A 64 7.703 -5.526 -11.125 1.00 61.32 C ATOM 1040 CD2 LEU A 64 9.760 -6.606 -12.054 1.00 54.41 C ATOM 0 H LEU A 64 6.851 -6.178 -15.070 1.00 30.14 H new ATOM 0 HA LEU A 64 8.929 -8.077 -14.285 1.00 62.53 H new ATOM 0 HB2 LEU A 64 6.455 -6.984 -12.904 1.00 5.32 H new ATOM 0 HB3 LEU A 64 7.567 -8.124 -12.173 1.00 5.32 H new ATOM 0 HG LEU A 64 8.397 -5.375 -13.135 1.00 55.54 H new ATOM 0 HD11 LEU A 64 8.319 -4.702 -10.766 1.00 61.32 H new ATOM 0 HD12 LEU A 64 6.710 -5.153 -11.378 1.00 61.32 H new ATOM 0 HD13 LEU A 64 7.619 -6.282 -10.345 1.00 61.32 H new ATOM 0 HD21 LEU A 64 10.347 -5.766 -11.682 1.00 54.41 H new ATOM 0 HD22 LEU A 64 9.729 -7.390 -11.298 1.00 54.41 H new ATOM 0 HD23 LEU A 64 10.219 -6.996 -12.962 1.00 54.41 H new ATOM 1052 N ASP A 65 6.073 -8.965 -15.439 1.00 53.05 N ATOM 1053 CA ASP A 65 5.237 -10.098 -15.818 1.00 74.13 C ATOM 1054 C ASP A 65 6.066 -11.182 -16.499 1.00 25.33 C ATOM 1055 O ASP A 65 6.187 -12.305 -16.008 1.00 64.20 O ATOM 1056 CB ASP A 65 4.111 -9.642 -16.747 1.00 43.54 C ATOM 1057 CG ASP A 65 2.762 -9.617 -16.055 1.00 63.33 C ATOM 1058 OD1 ASP A 65 2.373 -10.655 -15.481 1.00 73.51 O ATOM 1059 OD2 ASP A 65 2.096 -8.562 -16.088 1.00 3.00 O ATOM 0 H ASP A 65 5.822 -8.086 -15.891 1.00 53.05 H new ATOM 0 HA ASP A 65 4.802 -10.515 -14.910 1.00 74.13 H new ATOM 0 HB2 ASP A 65 4.339 -8.646 -17.128 1.00 43.54 H new ATOM 0 HB3 ASP A 65 4.062 -10.309 -17.608 1.00 43.54 H new ATOM 1064 N PRO A 66 6.651 -10.841 -17.657 1.00 31.14 N ATOM 1065 CA PRO A 66 7.479 -11.772 -18.429 1.00 41.52 C ATOM 1066 C PRO A 66 8.803 -12.080 -17.739 1.00 73.20 C ATOM 1067 O PRO A 66 9.471 -13.059 -18.067 1.00 62.33 O ATOM 1068 CB PRO A 66 7.723 -11.023 -19.742 1.00 11.25 C ATOM 1069 CG PRO A 66 7.585 -9.583 -19.388 1.00 3.53 C ATOM 1070 CD PRO A 66 6.549 -9.520 -18.299 1.00 62.53 C ATOM 0 HA PRO A 66 6.993 -12.739 -18.557 1.00 41.52 H new ATOM 0 HB2 PRO A 66 8.713 -11.239 -20.143 1.00 11.25 H new ATOM 0 HB3 PRO A 66 7.000 -11.314 -20.504 1.00 11.25 H new ATOM 0 HG2 PRO A 66 8.535 -9.173 -19.046 1.00 3.53 H new ATOM 0 HG3 PRO A 66 7.277 -8.996 -20.254 1.00 3.53 H new ATOM 0 HD2 PRO A 66 6.754 -8.714 -17.595 1.00 62.53 H new ATOM 0 HD3 PRO A 66 5.552 -9.345 -18.702 1.00 62.53 H new ATOM 1078 N MET A 67 9.175 -11.239 -16.780 1.00 70.40 N ATOM 1079 CA MET A 67 10.419 -11.424 -16.042 1.00 22.23 C ATOM 1080 C MET A 67 10.190 -12.270 -14.793 1.00 14.00 C ATOM 1081 O MET A 67 11.136 -12.625 -14.089 1.00 61.01 O ATOM 1082 CB MET A 67 11.013 -10.069 -15.651 1.00 74.13 C ATOM 1083 CG MET A 67 11.724 -9.365 -16.796 1.00 22.44 C ATOM 1084 SD MET A 67 13.486 -9.742 -16.855 1.00 60.03 S ATOM 1085 CE MET A 67 14.161 -8.139 -17.278 1.00 45.13 C ATOM 0 H MET A 67 8.633 -10.423 -16.496 1.00 70.40 H new ATOM 0 HA MET A 67 11.122 -11.947 -16.691 1.00 22.23 H new ATOM 0 HB2 MET A 67 10.216 -9.426 -15.279 1.00 74.13 H new ATOM 0 HB3 MET A 67 11.716 -10.213 -14.831 1.00 74.13 H new ATOM 0 HG2 MET A 67 11.262 -9.656 -17.739 1.00 22.44 H new ATOM 0 HG3 MET A 67 11.590 -8.288 -16.695 1.00 22.44 H new ATOM 0 HE1 MET A 67 15.246 -8.209 -17.351 1.00 45.13 H new ATOM 0 HE2 MET A 67 13.753 -7.813 -18.235 1.00 45.13 H new ATOM 0 HE3 MET A 67 13.896 -7.417 -16.506 1.00 45.13 H new ATOM 1095 N VAL A 68 8.928 -12.590 -14.524 1.00 52.13 N ATOM 1096 CA VAL A 68 8.575 -13.395 -13.361 1.00 2.23 C ATOM 1097 C VAL A 68 9.410 -14.670 -13.301 1.00 35.03 C ATOM 1098 O VAL A 68 10.149 -14.913 -12.347 1.00 74.23 O ATOM 1099 CB VAL A 68 7.082 -13.772 -13.371 1.00 50.34 C ATOM 1100 CG1 VAL A 68 6.857 -15.085 -12.637 1.00 62.14 C ATOM 1101 CG2 VAL A 68 6.248 -12.659 -12.757 1.00 12.40 C ATOM 0 H VAL A 68 8.133 -12.304 -15.096 1.00 52.13 H new ATOM 0 HA VAL A 68 8.782 -12.787 -12.481 1.00 2.23 H new ATOM 0 HB VAL A 68 6.766 -13.904 -14.406 1.00 50.34 H new ATOM 0 HG11 VAL A 68 5.796 -15.335 -12.655 1.00 62.14 H new ATOM 0 HG12 VAL A 68 7.424 -15.877 -13.126 1.00 62.14 H new ATOM 0 HG13 VAL A 68 7.189 -14.986 -11.604 1.00 62.14 H new ATOM 0 HG21 VAL A 68 5.196 -12.942 -12.772 1.00 12.40 H new ATOM 0 HG22 VAL A 68 6.564 -12.493 -11.727 1.00 12.40 H new ATOM 0 HG23 VAL A 68 6.385 -11.742 -13.331 1.00 12.40 H new ATOM 1111 N PRO A 69 9.289 -15.505 -14.344 1.00 1.21 N ATOM 1112 CA PRO A 69 10.026 -16.769 -14.434 1.00 71.44 C ATOM 1113 C PRO A 69 11.520 -16.556 -14.652 1.00 14.51 C ATOM 1114 O PRO A 69 12.350 -17.161 -13.972 1.00 41.34 O ATOM 1115 CB PRO A 69 9.401 -17.457 -15.652 1.00 2.24 C ATOM 1116 CG PRO A 69 8.866 -16.343 -16.482 1.00 72.22 C ATOM 1117 CD PRO A 69 8.427 -15.279 -15.515 1.00 54.11 C ATOM 0 HA PRO A 69 9.953 -17.349 -13.514 1.00 71.44 H new ATOM 0 HB2 PRO A 69 10.141 -18.040 -16.201 1.00 2.24 H new ATOM 0 HB3 PRO A 69 8.610 -18.145 -15.355 1.00 2.24 H new ATOM 0 HG2 PRO A 69 9.628 -15.962 -17.162 1.00 72.22 H new ATOM 0 HG3 PRO A 69 8.031 -16.680 -17.096 1.00 72.22 H new ATOM 0 HD2 PRO A 69 8.564 -14.280 -15.928 1.00 54.11 H new ATOM 0 HD3 PRO A 69 7.371 -15.377 -15.262 1.00 54.11 H new ATOM 1125 N THR A 70 11.857 -15.690 -15.603 1.00 24.23 N ATOM 1126 CA THR A 70 13.252 -15.397 -15.911 1.00 33.33 C ATOM 1127 C THR A 70 13.773 -14.247 -15.055 1.00 72.43 C ATOM 1128 O THR A 70 14.558 -13.421 -15.520 1.00 74.41 O ATOM 1129 CB THR A 70 13.436 -15.041 -17.397 1.00 52.21 C ATOM 1130 OG1 THR A 70 14.824 -14.836 -17.684 1.00 32.05 O ATOM 1131 CG2 THR A 70 12.650 -13.788 -17.755 1.00 41.11 C ATOM 0 H THR A 70 11.183 -15.179 -16.173 1.00 24.23 H new ATOM 0 HA THR A 70 13.822 -16.299 -15.689 1.00 33.33 H new ATOM 0 HB THR A 70 13.060 -15.871 -17.995 1.00 52.21 H new ATOM 0 HG1 THR A 70 15.216 -14.251 -17.003 1.00 32.05 H new ATOM 0 HG21 THR A 70 12.796 -13.556 -18.810 1.00 41.11 H new ATOM 0 HG22 THR A 70 11.590 -13.956 -17.563 1.00 41.11 H new ATOM 0 HG23 THR A 70 13.000 -12.953 -17.148 1.00 41.11 H new ATOM 1139 N GLY A 71 13.332 -14.201 -13.802 1.00 1.23 N ATOM 1140 CA GLY A 71 13.766 -13.149 -12.902 1.00 30.03 C ATOM 1141 C GLY A 71 14.152 -13.677 -11.534 1.00 73.42 C ATOM 1142 O GLY A 71 13.482 -14.554 -10.989 1.00 33.15 O ATOM 0 H GLY A 71 12.682 -14.873 -13.394 1.00 1.23 H new ATOM 0 HA2 GLY A 71 14.618 -12.629 -13.340 1.00 30.03 H new ATOM 0 HA3 GLY A 71 12.967 -12.416 -12.793 1.00 30.03 H new ATOM 1146 N SER A 72 15.237 -13.146 -10.981 1.00 3.30 N ATOM 1147 CA SER A 72 15.715 -13.574 -9.672 1.00 10.45 C ATOM 1148 C SER A 72 14.590 -13.534 -8.643 1.00 13.21 C ATOM 1149 O SER A 72 13.539 -12.938 -8.880 1.00 33.45 O ATOM 1150 CB SER A 72 16.873 -12.686 -9.212 1.00 14.40 C ATOM 1151 OG SER A 72 16.520 -11.314 -9.275 1.00 61.40 O ATOM 0 H SER A 72 15.802 -12.418 -11.419 1.00 3.30 H new ATOM 0 HA SER A 72 16.067 -14.602 -9.760 1.00 10.45 H new ATOM 0 HB2 SER A 72 17.152 -12.947 -8.191 1.00 14.40 H new ATOM 0 HB3 SER A 72 17.747 -12.869 -9.838 1.00 14.40 H new ATOM 0 HG SER A 72 17.276 -10.768 -8.974 1.00 61.40 H new ATOM 1157 N GLU A 73 14.818 -14.172 -7.499 1.00 64.33 N ATOM 1158 CA GLU A 73 13.823 -14.211 -6.434 1.00 42.23 C ATOM 1159 C GLU A 73 13.421 -12.800 -6.014 1.00 30.51 C ATOM 1160 O GLU A 73 12.284 -12.562 -5.609 1.00 53.11 O ATOM 1161 CB GLU A 73 14.365 -14.980 -5.227 1.00 54.44 C ATOM 1162 CG GLU A 73 14.093 -16.473 -5.285 1.00 1.13 C ATOM 1163 CD GLU A 73 15.349 -17.302 -5.102 1.00 72.21 C ATOM 1164 OE1 GLU A 73 15.929 -17.264 -3.997 1.00 63.20 O ATOM 1165 OE2 GLU A 73 15.753 -17.989 -6.065 1.00 11.53 O ATOM 0 H GLU A 73 15.683 -14.669 -7.286 1.00 64.33 H new ATOM 0 HA GLU A 73 12.940 -14.724 -6.815 1.00 42.23 H new ATOM 0 HB2 GLU A 73 15.441 -14.818 -5.156 1.00 54.44 H new ATOM 0 HB3 GLU A 73 13.921 -14.573 -4.318 1.00 54.44 H new ATOM 0 HG2 GLU A 73 13.372 -16.737 -4.512 1.00 1.13 H new ATOM 0 HG3 GLU A 73 13.637 -16.718 -6.244 1.00 1.13 H new ATOM 1172 N ASN A 74 14.364 -11.868 -6.113 1.00 33.52 N ATOM 1173 CA ASN A 74 14.109 -10.481 -5.742 1.00 74.03 C ATOM 1174 C ASN A 74 13.145 -9.823 -6.725 1.00 71.52 C ATOM 1175 O ASN A 74 12.566 -8.775 -6.437 1.00 64.23 O ATOM 1176 CB ASN A 74 15.421 -9.695 -5.694 1.00 60.44 C ATOM 1177 CG ASN A 74 16.248 -10.025 -4.467 1.00 70.21 C ATOM 1178 OD1 ASN A 74 15.920 -9.615 -3.355 1.00 13.42 O ATOM 1179 ND2 ASN A 74 17.329 -10.771 -4.666 1.00 4.42 N ATOM 0 H ASN A 74 15.311 -12.048 -6.447 1.00 33.52 H new ATOM 0 HA ASN A 74 13.652 -10.474 -4.752 1.00 74.03 H new ATOM 0 HB2 ASN A 74 16.003 -9.910 -6.590 1.00 60.44 H new ATOM 0 HB3 ASN A 74 15.202 -8.627 -5.705 1.00 60.44 H new ATOM 0 HD21 ASN A 74 17.925 -11.026 -3.878 1.00 4.42 H new ATOM 0 HD22 ASN A 74 17.563 -11.089 -5.606 1.00 4.42 H new ATOM 1186 N LEU A 75 12.975 -10.447 -7.885 1.00 63.03 N ATOM 1187 CA LEU A 75 12.080 -9.924 -8.912 1.00 63.13 C ATOM 1188 C LEU A 75 10.673 -10.485 -8.745 1.00 35.20 C ATOM 1189 O LEU A 75 9.692 -9.741 -8.737 1.00 61.04 O ATOM 1190 CB LEU A 75 12.615 -10.264 -10.305 1.00 4.33 C ATOM 1191 CG LEU A 75 11.945 -9.543 -11.474 1.00 40.14 C ATOM 1192 CD1 LEU A 75 12.915 -9.395 -12.637 1.00 22.12 C ATOM 1193 CD2 LEU A 75 10.693 -10.289 -11.914 1.00 61.44 C ATOM 0 H LEU A 75 13.445 -11.316 -8.138 1.00 63.03 H new ATOM 0 HA LEU A 75 12.035 -8.841 -8.801 1.00 63.13 H new ATOM 0 HB2 LEU A 75 13.681 -10.039 -10.328 1.00 4.33 H new ATOM 0 HB3 LEU A 75 12.513 -11.338 -10.460 1.00 4.33 H new ATOM 0 HG LEU A 75 11.653 -8.547 -11.142 1.00 40.14 H new ATOM 0 HD11 LEU A 75 12.420 -8.879 -13.460 1.00 22.12 H new ATOM 0 HD12 LEU A 75 13.782 -8.818 -12.316 1.00 22.12 H new ATOM 0 HD13 LEU A 75 13.238 -10.382 -12.969 1.00 22.12 H new ATOM 0 HD21 LEU A 75 10.229 -9.761 -12.747 1.00 61.44 H new ATOM 0 HD22 LEU A 75 10.962 -11.298 -12.228 1.00 61.44 H new ATOM 0 HD23 LEU A 75 9.990 -10.343 -11.082 1.00 61.44 H new ATOM 1205 N LYS A 76 10.580 -11.805 -8.608 1.00 13.42 N ATOM 1206 CA LYS A 76 9.292 -12.467 -8.437 1.00 24.02 C ATOM 1207 C LYS A 76 8.530 -11.878 -7.254 1.00 73.43 C ATOM 1208 O LYS A 76 7.314 -11.700 -7.313 1.00 61.14 O ATOM 1209 CB LYS A 76 9.493 -13.971 -8.230 1.00 44.40 C ATOM 1210 CG LYS A 76 8.308 -14.809 -8.678 1.00 3.21 C ATOM 1211 CD LYS A 76 8.370 -16.213 -8.100 1.00 63.15 C ATOM 1212 CE LYS A 76 9.584 -16.973 -8.612 1.00 33.40 C ATOM 1213 NZ LYS A 76 10.636 -17.106 -7.567 1.00 30.43 N ATOM 0 H LYS A 76 11.381 -12.436 -8.612 1.00 13.42 H new ATOM 0 HA LYS A 76 8.705 -12.305 -9.341 1.00 24.02 H new ATOM 0 HB2 LYS A 76 10.380 -14.289 -8.777 1.00 44.40 H new ATOM 0 HB3 LYS A 76 9.684 -14.162 -7.174 1.00 44.40 H new ATOM 0 HG2 LYS A 76 7.381 -14.327 -8.367 1.00 3.21 H new ATOM 0 HG3 LYS A 76 8.290 -14.863 -9.767 1.00 3.21 H new ATOM 0 HD2 LYS A 76 8.406 -16.158 -7.012 1.00 63.15 H new ATOM 0 HD3 LYS A 76 7.462 -16.756 -8.362 1.00 63.15 H new ATOM 0 HE2 LYS A 76 9.277 -17.964 -8.947 1.00 33.40 H new ATOM 0 HE3 LYS A 76 9.996 -16.457 -9.479 1.00 33.40 H new ATOM 0 HZ1 LYS A 76 11.446 -17.630 -7.955 1.00 30.43 H new ATOM 0 HZ2 LYS A 76 10.947 -16.161 -7.265 1.00 30.43 H new ATOM 0 HZ3 LYS A 76 10.250 -17.621 -6.750 1.00 30.43 H new ATOM 1227 N SER A 77 9.253 -11.577 -6.180 1.00 23.41 N ATOM 1228 CA SER A 77 8.644 -11.011 -4.982 1.00 44.14 C ATOM 1229 C SER A 77 8.007 -9.658 -5.285 1.00 3.14 C ATOM 1230 O SER A 77 6.837 -9.427 -4.978 1.00 73.43 O ATOM 1231 CB SER A 77 9.691 -10.858 -3.876 1.00 62.12 C ATOM 1232 OG SER A 77 9.633 -11.944 -2.967 1.00 64.42 O ATOM 0 H SER A 77 10.261 -11.716 -6.115 1.00 23.41 H new ATOM 0 HA SER A 77 7.864 -11.693 -4.643 1.00 44.14 H new ATOM 0 HB2 SER A 77 10.686 -10.802 -4.318 1.00 62.12 H new ATOM 0 HB3 SER A 77 9.526 -9.923 -3.341 1.00 62.12 H new ATOM 0 HG SER A 77 10.312 -11.825 -2.271 1.00 64.42 H new ATOM 1238 N LEU A 78 8.785 -8.767 -5.889 1.00 1.45 N ATOM 1239 CA LEU A 78 8.299 -7.436 -6.234 1.00 2.35 C ATOM 1240 C LEU A 78 7.070 -7.521 -7.134 1.00 62.40 C ATOM 1241 O LEU A 78 6.159 -6.699 -7.038 1.00 32.32 O ATOM 1242 CB LEU A 78 9.400 -6.633 -6.929 1.00 72.24 C ATOM 1243 CG LEU A 78 8.944 -5.381 -7.680 1.00 64.32 C ATOM 1244 CD1 LEU A 78 8.410 -4.341 -6.708 1.00 41.52 C ATOM 1245 CD2 LEU A 78 10.089 -4.807 -8.502 1.00 65.03 C ATOM 0 H LEU A 78 9.755 -8.942 -6.150 1.00 1.45 H new ATOM 0 HA LEU A 78 8.016 -6.929 -5.311 1.00 2.35 H new ATOM 0 HB2 LEU A 78 10.134 -6.336 -6.180 1.00 72.24 H new ATOM 0 HB3 LEU A 78 9.911 -7.289 -7.633 1.00 72.24 H new ATOM 0 HG LEU A 78 8.139 -5.660 -8.360 1.00 64.32 H new ATOM 0 HD11 LEU A 78 8.090 -3.457 -7.260 1.00 41.52 H new ATOM 0 HD12 LEU A 78 7.562 -4.755 -6.162 1.00 41.52 H new ATOM 0 HD13 LEU A 78 9.195 -4.065 -6.004 1.00 41.52 H new ATOM 0 HD21 LEU A 78 9.747 -3.917 -9.030 1.00 65.03 H new ATOM 0 HD22 LEU A 78 10.914 -4.543 -7.841 1.00 65.03 H new ATOM 0 HD23 LEU A 78 10.426 -5.550 -9.225 1.00 65.03 H new ATOM 1257 N PHE A 79 7.051 -8.523 -8.006 1.00 51.01 N ATOM 1258 CA PHE A 79 5.934 -8.718 -8.922 1.00 74.44 C ATOM 1259 C PHE A 79 4.627 -8.900 -8.156 1.00 31.43 C ATOM 1260 O PHE A 79 3.588 -8.367 -8.544 1.00 3.33 O ATOM 1261 CB PHE A 79 6.186 -9.933 -9.818 1.00 13.34 C ATOM 1262 CG PHE A 79 5.060 -10.222 -10.769 1.00 42.40 C ATOM 1263 CD1 PHE A 79 4.776 -9.354 -11.812 1.00 3.22 C ATOM 1264 CD2 PHE A 79 4.284 -11.360 -10.620 1.00 31.12 C ATOM 1265 CE1 PHE A 79 3.741 -9.616 -12.688 1.00 53.14 C ATOM 1266 CE2 PHE A 79 3.248 -11.628 -11.494 1.00 51.13 C ATOM 1267 CZ PHE A 79 2.975 -10.755 -12.529 1.00 52.54 C ATOM 0 H PHE A 79 7.797 -9.213 -8.098 1.00 51.01 H new ATOM 0 HA PHE A 79 5.849 -7.827 -9.545 1.00 74.44 H new ATOM 0 HB2 PHE A 79 7.100 -9.770 -10.389 1.00 13.34 H new ATOM 0 HB3 PHE A 79 6.354 -10.808 -9.190 1.00 13.34 H new ATOM 0 HD1 PHE A 79 5.371 -8.462 -11.941 1.00 3.22 H new ATOM 0 HD2 PHE A 79 4.491 -12.045 -9.811 1.00 31.12 H new ATOM 0 HE1 PHE A 79 3.531 -8.931 -13.496 1.00 53.14 H new ATOM 0 HE2 PHE A 79 2.652 -12.520 -11.368 1.00 51.13 H new ATOM 0 HZ PHE A 79 2.165 -10.962 -13.212 1.00 52.54 H new ATOM 1277 N ASN A 80 4.688 -9.658 -7.066 1.00 54.10 N ATOM 1278 CA ASN A 80 3.510 -9.912 -6.245 1.00 12.41 C ATOM 1279 C ASN A 80 3.095 -8.656 -5.485 1.00 44.24 C ATOM 1280 O ASN A 80 1.943 -8.516 -5.074 1.00 70.11 O ATOM 1281 CB ASN A 80 3.785 -11.050 -5.259 1.00 51.55 C ATOM 1282 CG ASN A 80 3.040 -12.320 -5.620 1.00 50.11 C ATOM 1283 OD1 ASN A 80 2.605 -12.497 -6.759 1.00 3.44 O ATOM 1284 ND2 ASN A 80 2.887 -13.213 -4.650 1.00 24.04 N ATOM 0 H ASN A 80 5.540 -10.107 -6.731 1.00 54.10 H new ATOM 0 HA ASN A 80 2.693 -10.202 -6.906 1.00 12.41 H new ATOM 0 HB2 ASN A 80 4.855 -11.255 -5.234 1.00 51.55 H new ATOM 0 HB3 ASN A 80 3.497 -10.736 -4.256 1.00 51.55 H new ATOM 0 HD21 ASN A 80 2.393 -14.086 -4.834 1.00 24.04 H new ATOM 0 HD22 ASN A 80 3.263 -13.026 -3.721 1.00 24.04 H new ATOM 1291 N THR A 81 4.043 -7.742 -5.302 1.00 11.11 N ATOM 1292 CA THR A 81 3.777 -6.497 -4.592 1.00 5.54 C ATOM 1293 C THR A 81 3.221 -5.435 -5.533 1.00 62.00 C ATOM 1294 O THR A 81 2.301 -4.698 -5.179 1.00 33.12 O ATOM 1295 CB THR A 81 5.050 -5.953 -3.916 1.00 52.11 C ATOM 1296 OG1 THR A 81 5.780 -7.025 -3.309 1.00 50.10 O ATOM 1297 CG2 THR A 81 4.702 -4.911 -2.864 1.00 55.22 C ATOM 0 H THR A 81 5.002 -7.841 -5.636 1.00 11.11 H new ATOM 0 HA THR A 81 3.036 -6.723 -3.825 1.00 5.54 H new ATOM 0 HB THR A 81 5.667 -5.482 -4.681 1.00 52.11 H new ATOM 0 HG1 THR A 81 6.588 -6.670 -2.883 1.00 50.10 H new ATOM 0 HG21 THR A 81 5.617 -4.542 -2.401 1.00 55.22 H new ATOM 0 HG22 THR A 81 4.173 -4.082 -3.334 1.00 55.22 H new ATOM 0 HG23 THR A 81 4.066 -5.362 -2.102 1.00 55.22 H new ATOM 1305 N VAL A 82 3.786 -5.361 -6.734 1.00 55.03 N ATOM 1306 CA VAL A 82 3.345 -4.389 -7.728 1.00 50.20 C ATOM 1307 C VAL A 82 1.904 -4.651 -8.152 1.00 35.44 C ATOM 1308 O VAL A 82 1.179 -3.730 -8.527 1.00 74.24 O ATOM 1309 CB VAL A 82 4.247 -4.413 -8.975 1.00 4.04 C ATOM 1310 CG1 VAL A 82 3.855 -3.304 -9.939 1.00 44.33 C ATOM 1311 CG2 VAL A 82 5.710 -4.291 -8.575 1.00 43.54 C ATOM 0 H VAL A 82 4.550 -5.962 -7.042 1.00 55.03 H new ATOM 0 HA VAL A 82 3.410 -3.407 -7.260 1.00 50.20 H new ATOM 0 HB VAL A 82 4.111 -5.368 -9.483 1.00 4.04 H new ATOM 0 HG11 VAL A 82 4.504 -3.337 -10.814 1.00 44.33 H new ATOM 0 HG12 VAL A 82 2.819 -3.441 -10.249 1.00 44.33 H new ATOM 0 HG13 VAL A 82 3.961 -2.338 -9.445 1.00 44.33 H new ATOM 0 HG21 VAL A 82 6.334 -4.310 -9.468 1.00 43.54 H new ATOM 0 HG22 VAL A 82 5.865 -3.352 -8.044 1.00 43.54 H new ATOM 0 HG23 VAL A 82 5.980 -5.124 -7.926 1.00 43.54 H new ATOM 1321 N CYS A 83 1.496 -5.914 -8.088 1.00 32.44 N ATOM 1322 CA CYS A 83 0.140 -6.298 -8.465 1.00 72.54 C ATOM 1323 C CYS A 83 -0.870 -5.823 -7.427 1.00 2.34 C ATOM 1324 O CYS A 83 -2.052 -5.652 -7.727 1.00 23.34 O ATOM 1325 CB CYS A 83 0.045 -7.817 -8.628 1.00 60.10 C ATOM 1326 SG CYS A 83 -0.335 -8.700 -7.097 1.00 33.30 S ATOM 0 H CYS A 83 2.084 -6.688 -7.779 1.00 32.44 H new ATOM 0 HA CYS A 83 -0.094 -5.821 -9.417 1.00 72.54 H new ATOM 0 HB2 CYS A 83 -0.723 -8.045 -9.367 1.00 60.10 H new ATOM 0 HB3 CYS A 83 0.990 -8.189 -9.025 1.00 60.10 H new ATOM 0 HG CYS A 83 0.657 -8.574 -6.266 1.00 33.30 H new ATOM 1332 N VAL A 84 -0.396 -5.611 -6.203 1.00 55.42 N ATOM 1333 CA VAL A 84 -1.258 -5.154 -5.119 1.00 70.10 C ATOM 1334 C VAL A 84 -1.411 -3.637 -5.140 1.00 34.42 C ATOM 1335 O VAL A 84 -2.497 -3.110 -4.896 1.00 63.14 O ATOM 1336 CB VAL A 84 -0.708 -5.584 -3.746 1.00 34.55 C ATOM 1337 CG1 VAL A 84 -1.578 -5.033 -2.626 1.00 60.32 C ATOM 1338 CG2 VAL A 84 -0.613 -7.101 -3.662 1.00 14.43 C ATOM 0 H VAL A 84 0.579 -5.748 -5.938 1.00 55.42 H new ATOM 0 HA VAL A 84 -2.233 -5.617 -5.273 1.00 70.10 H new ATOM 0 HB VAL A 84 0.295 -5.173 -3.630 1.00 34.55 H new ATOM 0 HG11 VAL A 84 -1.174 -5.347 -1.664 1.00 60.32 H new ATOM 0 HG12 VAL A 84 -1.590 -3.944 -2.677 1.00 60.32 H new ATOM 0 HG13 VAL A 84 -2.594 -5.412 -2.734 1.00 60.32 H new ATOM 0 HG21 VAL A 84 -0.223 -7.388 -2.686 1.00 14.43 H new ATOM 0 HG22 VAL A 84 -1.603 -7.536 -3.799 1.00 14.43 H new ATOM 0 HG23 VAL A 84 0.055 -7.467 -4.442 1.00 14.43 H new ATOM 1348 N ILE A 85 -0.318 -2.942 -5.433 1.00 72.24 N ATOM 1349 CA ILE A 85 -0.332 -1.485 -5.488 1.00 10.11 C ATOM 1350 C ILE A 85 -1.265 -0.985 -6.585 1.00 42.33 C ATOM 1351 O ILE A 85 -2.168 -0.188 -6.330 1.00 74.52 O ATOM 1352 CB ILE A 85 1.079 -0.918 -5.732 1.00 12.23 C ATOM 1353 CG1 ILE A 85 2.054 -1.448 -4.678 1.00 61.03 C ATOM 1354 CG2 ILE A 85 1.048 0.603 -5.716 1.00 65.40 C ATOM 1355 CD1 ILE A 85 1.834 -0.862 -3.302 1.00 32.01 C ATOM 0 H ILE A 85 0.588 -3.363 -5.636 1.00 72.24 H new ATOM 0 HA ILE A 85 -0.693 -1.136 -4.521 1.00 10.11 H new ATOM 0 HB ILE A 85 1.422 -1.245 -6.714 1.00 12.23 H new ATOM 0 HG12 ILE A 85 1.961 -2.533 -4.621 1.00 61.03 H new ATOM 0 HG13 ILE A 85 3.074 -1.232 -4.997 1.00 61.03 H new ATOM 0 HG21 ILE A 85 2.052 0.989 -5.890 1.00 65.40 H new ATOM 0 HG22 ILE A 85 0.381 0.962 -6.500 1.00 65.40 H new ATOM 0 HG23 ILE A 85 0.689 0.949 -4.747 1.00 65.40 H new ATOM 0 HD11 ILE A 85 2.560 -1.283 -2.607 1.00 32.01 H new ATOM 0 HD12 ILE A 85 1.957 0.220 -3.344 1.00 32.01 H new ATOM 0 HD13 ILE A 85 0.826 -1.100 -2.962 1.00 32.01 H new ATOM 1367 N TRP A 86 -1.041 -1.459 -7.805 1.00 55.13 N ATOM 1368 CA TRP A 86 -1.864 -1.061 -8.942 1.00 54.22 C ATOM 1369 C TRP A 86 -3.347 -1.223 -8.625 1.00 33.24 C ATOM 1370 O TRP A 86 -4.159 -0.356 -8.950 1.00 51.24 O ATOM 1371 CB TRP A 86 -1.501 -1.889 -10.176 1.00 15.11 C ATOM 1372 CG TRP A 86 -2.299 -1.525 -11.391 1.00 43.33 C ATOM 1373 CD1 TRP A 86 -1.920 -0.684 -12.398 1.00 51.14 C ATOM 1374 CD2 TRP A 86 -3.611 -1.990 -11.727 1.00 21.15 C ATOM 1375 NE1 TRP A 86 -2.918 -0.597 -13.339 1.00 75.41 N ATOM 1376 CE2 TRP A 86 -3.966 -1.391 -12.951 1.00 3.43 C ATOM 1377 CE3 TRP A 86 -4.520 -2.857 -11.113 1.00 3.31 C ATOM 1378 CZ2 TRP A 86 -5.189 -1.629 -13.569 1.00 53.34 C ATOM 1379 CZ3 TRP A 86 -5.734 -3.092 -11.727 1.00 63.25 C ATOM 1380 CH2 TRP A 86 -6.060 -2.482 -12.946 1.00 12.34 C ATOM 0 H TRP A 86 -0.297 -2.119 -8.033 1.00 55.13 H new ATOM 0 HA TRP A 86 -1.669 -0.009 -9.148 1.00 54.22 H new ATOM 0 HB2 TRP A 86 -0.441 -1.758 -10.394 1.00 15.11 H new ATOM 0 HB3 TRP A 86 -1.653 -2.945 -9.953 1.00 15.11 H new ATOM 0 HD1 TRP A 86 -0.975 -0.164 -12.448 1.00 51.14 H new ATOM 0 HE1 TRP A 86 -2.884 -0.033 -14.188 1.00 75.41 H new ATOM 0 HE3 TRP A 86 -4.277 -3.334 -10.175 1.00 3.31 H new ATOM 0 HZ2 TRP A 86 -5.443 -1.158 -14.507 1.00 53.34 H new ATOM 0 HZ3 TRP A 86 -6.445 -3.757 -11.260 1.00 63.25 H new ATOM 0 HH2 TRP A 86 -7.017 -2.689 -13.403 1.00 12.34 H new ATOM 1391 N CYS A 87 -3.693 -2.336 -7.988 1.00 3.14 N ATOM 1392 CA CYS A 87 -5.078 -2.612 -7.626 1.00 53.44 C ATOM 1393 C CYS A 87 -5.667 -1.463 -6.814 1.00 25.55 C ATOM 1394 O CYS A 87 -6.676 -0.870 -7.198 1.00 32.24 O ATOM 1395 CB CYS A 87 -5.171 -3.915 -6.832 1.00 51.44 C ATOM 1396 SG CYS A 87 -6.100 -5.223 -7.667 1.00 33.04 S ATOM 0 H CYS A 87 -3.033 -3.062 -7.711 1.00 3.14 H new ATOM 0 HA CYS A 87 -5.654 -2.715 -8.546 1.00 53.44 H new ATOM 0 HB2 CYS A 87 -4.163 -4.275 -6.625 1.00 51.44 H new ATOM 0 HB3 CYS A 87 -5.639 -3.709 -5.870 1.00 51.44 H new ATOM 0 HG CYS A 87 -6.304 -6.206 -6.841 1.00 33.04 H new ATOM 1402 N ILE A 88 -5.031 -1.155 -5.688 1.00 61.33 N ATOM 1403 CA ILE A 88 -5.491 -0.078 -4.820 1.00 73.14 C ATOM 1404 C ILE A 88 -5.736 1.200 -5.614 1.00 44.30 C ATOM 1405 O ILE A 88 -6.672 1.951 -5.331 1.00 64.43 O ATOM 1406 CB ILE A 88 -4.478 0.213 -3.699 1.00 23.23 C ATOM 1407 CG1 ILE A 88 -4.248 -1.039 -2.851 1.00 11.02 C ATOM 1408 CG2 ILE A 88 -4.965 1.365 -2.831 1.00 45.30 C ATOM 1409 CD1 ILE A 88 -2.949 -1.016 -2.077 1.00 2.35 C ATOM 0 H ILE A 88 -4.195 -1.637 -5.356 1.00 61.33 H new ATOM 0 HA ILE A 88 -6.428 -0.411 -4.373 1.00 73.14 H new ATOM 0 HB ILE A 88 -3.530 0.501 -4.153 1.00 23.23 H new ATOM 0 HG12 ILE A 88 -5.076 -1.151 -2.151 1.00 11.02 H new ATOM 0 HG13 ILE A 88 -4.259 -1.914 -3.500 1.00 11.02 H new ATOM 0 HG21 ILE A 88 -4.238 1.559 -2.042 1.00 45.30 H new ATOM 0 HG22 ILE A 88 -5.082 2.258 -3.444 1.00 45.30 H new ATOM 0 HG23 ILE A 88 -5.924 1.103 -2.384 1.00 45.30 H new ATOM 0 HD11 ILE A 88 -2.854 -1.935 -1.499 1.00 2.35 H new ATOM 0 HD12 ILE A 88 -2.113 -0.936 -2.772 1.00 2.35 H new ATOM 0 HD13 ILE A 88 -2.943 -0.160 -1.402 1.00 2.35 H new ATOM 1421 N HIS A 89 -4.890 1.443 -6.611 1.00 1.25 N ATOM 1422 CA HIS A 89 -5.015 2.631 -7.449 1.00 14.24 C ATOM 1423 C HIS A 89 -6.171 2.480 -8.434 1.00 5.42 C ATOM 1424 O HIS A 89 -6.755 3.506 -8.782 1.00 74.33 O ATOM 1425 CB HIS A 89 -3.713 2.886 -8.208 1.00 31.14 C ATOM 1426 CG HIS A 89 -2.552 3.205 -7.316 1.00 55.51 C ATOM 1427 ND1 HIS A 89 -2.673 3.945 -6.160 1.00 12.32 N ATOM 1428 CD2 HIS A 89 -1.242 2.878 -7.416 1.00 12.33 C ATOM 1429 CE1 HIS A 89 -1.488 4.062 -5.587 1.00 35.10 C ATOM 1430 NE2 HIS A 89 -0.603 3.422 -6.330 1.00 32.14 N ATOM 0 H HIS A 89 -4.111 0.833 -6.858 1.00 1.25 H new ATOM 0 HA HIS A 89 -5.221 3.483 -6.801 1.00 14.24 H new ATOM 0 HB2 HIS A 89 -3.471 2.006 -8.804 1.00 31.14 H new ATOM 0 HB3 HIS A 89 -3.863 3.711 -8.904 1.00 31.14 H new ATOM 0 HD2 HIS A 89 -0.785 2.297 -8.204 1.00 12.33 H new ATOM 0 HE1 HIS A 89 -1.279 4.590 -4.669 1.00 35.10 H new ATOM 0 HE2 HIS A 89 0.394 3.345 -6.129 1.00 32.14 H new ATOM 1438 N ALA A 90 -6.504 1.272 -8.877 1.00 61.21 N ATOM 1439 CA ALA A 90 -7.601 1.079 -9.817 1.00 63.12 C ATOM 1440 C ALA A 90 -8.931 0.930 -9.086 1.00 41.51 C ATOM 1441 O ALA A 90 -9.918 0.476 -9.662 1.00 14.30 O ATOM 1442 CB ALA A 90 -7.338 -0.139 -10.692 1.00 2.23 C ATOM 0 H ALA A 90 -6.030 0.413 -8.600 1.00 61.21 H new ATOM 0 HA ALA A 90 -7.662 1.963 -10.452 1.00 63.12 H new ATOM 0 HB1 ALA A 90 -8.165 -0.271 -11.389 1.00 2.23 H new ATOM 0 HB2 ALA A 90 -6.413 0.007 -11.250 1.00 2.23 H new ATOM 0 HB3 ALA A 90 -7.247 -1.025 -10.064 1.00 2.23 H new ATOM 1448 N GLU A 91 -8.947 1.316 -7.814 1.00 51.10 N ATOM 1449 CA GLU A 91 -10.157 1.225 -7.005 1.00 30.54 C ATOM 1450 C GLU A 91 -10.522 -0.233 -6.737 1.00 54.12 C ATOM 1451 O GLU A 91 -11.608 -0.529 -6.239 1.00 30.11 O ATOM 1452 CB GLU A 91 -11.320 1.933 -7.701 1.00 44.15 C ATOM 1453 CG GLU A 91 -12.131 2.825 -6.777 1.00 73.25 C ATOM 1454 CD GLU A 91 -12.798 3.973 -7.511 1.00 71.32 C ATOM 1455 OE1 GLU A 91 -13.396 3.725 -8.579 1.00 3.54 O ATOM 1456 OE2 GLU A 91 -12.722 5.117 -7.017 1.00 1.11 O ATOM 0 H GLU A 91 -8.137 1.694 -7.322 1.00 51.10 H new ATOM 0 HA GLU A 91 -9.963 1.716 -6.051 1.00 30.54 H new ATOM 0 HB2 GLU A 91 -10.929 2.534 -8.522 1.00 44.15 H new ATOM 0 HB3 GLU A 91 -11.979 1.184 -8.140 1.00 44.15 H new ATOM 0 HG2 GLU A 91 -12.893 2.227 -6.277 1.00 73.25 H new ATOM 0 HG3 GLU A 91 -11.479 3.225 -6.000 1.00 73.25 H new ATOM 1463 N GLU A 92 -9.608 -1.137 -7.072 1.00 21.40 N ATOM 1464 CA GLU A 92 -9.835 -2.564 -6.869 1.00 1.21 C ATOM 1465 C GLU A 92 -9.491 -2.971 -5.440 1.00 20.44 C ATOM 1466 O GLU A 92 -8.584 -2.412 -4.822 1.00 40.34 O ATOM 1467 CB GLU A 92 -9.002 -3.381 -7.859 1.00 21.50 C ATOM 1468 CG GLU A 92 -9.365 -3.131 -9.313 1.00 31.14 C ATOM 1469 CD GLU A 92 -10.145 -4.278 -9.925 1.00 44.11 C ATOM 1470 OE1 GLU A 92 -10.800 -5.023 -9.167 1.00 21.10 O ATOM 1471 OE2 GLU A 92 -10.099 -4.430 -11.165 1.00 31.15 O ATOM 0 H GLU A 92 -8.704 -0.908 -7.485 1.00 21.40 H new ATOM 0 HA GLU A 92 -10.892 -2.766 -7.041 1.00 1.21 H new ATOM 0 HB2 GLU A 92 -7.947 -3.149 -7.712 1.00 21.50 H new ATOM 0 HB3 GLU A 92 -9.129 -4.441 -7.639 1.00 21.50 H new ATOM 0 HG2 GLU A 92 -9.954 -2.217 -9.384 1.00 31.14 H new ATOM 0 HG3 GLU A 92 -8.454 -2.968 -9.888 1.00 31.14 H new ATOM 1478 N LYS A 93 -10.223 -3.950 -4.917 1.00 61.31 N ATOM 1479 CA LYS A 93 -9.997 -4.435 -3.560 1.00 40.43 C ATOM 1480 C LYS A 93 -9.820 -5.950 -3.547 1.00 3.00 C ATOM 1481 O LYS A 93 -10.562 -6.678 -4.207 1.00 42.31 O ATOM 1482 CB LYS A 93 -11.164 -4.038 -2.655 1.00 32.43 C ATOM 1483 CG LYS A 93 -11.153 -2.574 -2.254 1.00 2.44 C ATOM 1484 CD LYS A 93 -12.463 -2.164 -1.603 1.00 14.35 C ATOM 1485 CE LYS A 93 -13.606 -2.159 -2.607 1.00 13.33 C ATOM 1486 NZ LYS A 93 -14.719 -3.055 -2.186 1.00 30.15 N ATOM 0 H LYS A 93 -10.978 -4.423 -5.413 1.00 61.31 H new ATOM 0 HA LYS A 93 -9.082 -3.977 -3.184 1.00 40.43 H new ATOM 0 HB2 LYS A 93 -12.101 -4.259 -3.167 1.00 32.43 H new ATOM 0 HB3 LYS A 93 -11.140 -4.653 -1.755 1.00 32.43 H new ATOM 0 HG2 LYS A 93 -10.330 -2.391 -1.563 1.00 2.44 H new ATOM 0 HG3 LYS A 93 -10.974 -1.956 -3.134 1.00 2.44 H new ATOM 0 HD2 LYS A 93 -12.696 -2.849 -0.788 1.00 14.35 H new ATOM 0 HD3 LYS A 93 -12.358 -1.172 -1.165 1.00 14.35 H new ATOM 0 HE2 LYS A 93 -13.982 -1.143 -2.724 1.00 13.33 H new ATOM 0 HE3 LYS A 93 -13.234 -2.475 -3.582 1.00 13.33 H new ATOM 0 HZ1 LYS A 93 -15.478 -3.023 -2.896 1.00 30.15 H new ATOM 0 HZ2 LYS A 93 -14.366 -4.030 -2.099 1.00 30.15 H new ATOM 0 HZ3 LYS A 93 -15.091 -2.739 -1.268 1.00 30.15 H new ATOM 1500 N VAL A 94 -8.834 -6.419 -2.790 1.00 25.30 N ATOM 1501 CA VAL A 94 -8.560 -7.848 -2.688 1.00 12.12 C ATOM 1502 C VAL A 94 -8.212 -8.240 -1.257 1.00 23.03 C ATOM 1503 O VAL A 94 -7.788 -7.404 -0.458 1.00 31.24 O ATOM 1504 CB VAL A 94 -7.408 -8.267 -3.619 1.00 11.11 C ATOM 1505 CG1 VAL A 94 -7.728 -7.905 -5.062 1.00 10.13 C ATOM 1506 CG2 VAL A 94 -6.103 -7.622 -3.176 1.00 54.11 C ATOM 0 H VAL A 94 -8.211 -5.830 -2.238 1.00 25.30 H new ATOM 0 HA VAL A 94 -9.469 -8.367 -2.992 1.00 12.12 H new ATOM 0 HB VAL A 94 -7.291 -9.349 -3.558 1.00 11.11 H new ATOM 0 HG11 VAL A 94 -6.902 -8.209 -5.705 1.00 10.13 H new ATOM 0 HG12 VAL A 94 -8.638 -8.419 -5.373 1.00 10.13 H new ATOM 0 HG13 VAL A 94 -7.874 -6.828 -5.143 1.00 10.13 H new ATOM 0 HG21 VAL A 94 -5.300 -7.929 -3.845 1.00 54.11 H new ATOM 0 HG22 VAL A 94 -6.205 -6.537 -3.206 1.00 54.11 H new ATOM 0 HG23 VAL A 94 -5.868 -7.937 -2.159 1.00 54.11 H new ATOM 1516 N LYS A 95 -8.392 -9.517 -0.939 1.00 23.40 N ATOM 1517 CA LYS A 95 -8.094 -10.023 0.396 1.00 20.30 C ATOM 1518 C LYS A 95 -6.672 -10.572 0.466 1.00 1.45 C ATOM 1519 O LYS A 95 -6.071 -10.630 1.539 1.00 43.01 O ATOM 1520 CB LYS A 95 -9.093 -11.116 0.784 1.00 4.42 C ATOM 1521 CG LYS A 95 -10.185 -10.636 1.724 1.00 2.13 C ATOM 1522 CD LYS A 95 -10.512 -11.680 2.779 1.00 63.34 C ATOM 1523 CE LYS A 95 -11.537 -11.163 3.776 1.00 32.20 C ATOM 1524 NZ LYS A 95 -10.962 -11.028 5.143 1.00 54.21 N ATOM 0 H LYS A 95 -8.743 -10.221 -1.588 1.00 23.40 H new ATOM 0 HA LYS A 95 -8.179 -9.194 1.099 1.00 20.30 H new ATOM 0 HB2 LYS A 95 -9.553 -11.514 -0.121 1.00 4.42 H new ATOM 0 HB3 LYS A 95 -8.554 -11.938 1.256 1.00 4.42 H new ATOM 0 HG2 LYS A 95 -9.868 -9.713 2.210 1.00 2.13 H new ATOM 0 HG3 LYS A 95 -11.083 -10.403 1.151 1.00 2.13 H new ATOM 0 HD2 LYS A 95 -10.894 -12.579 2.296 1.00 63.34 H new ATOM 0 HD3 LYS A 95 -9.601 -11.964 3.306 1.00 63.34 H new ATOM 0 HE2 LYS A 95 -11.912 -10.195 3.443 1.00 32.20 H new ATOM 0 HE3 LYS A 95 -12.389 -11.842 3.806 1.00 32.20 H new ATOM 0 HZ1 LYS A 95 -11.692 -10.673 5.793 1.00 54.21 H new ATOM 0 HZ2 LYS A 95 -10.627 -11.956 5.472 1.00 54.21 H new ATOM 0 HZ3 LYS A 95 -10.165 -10.361 5.120 1.00 54.21 H new ATOM 1538 N ASP A 96 -6.140 -10.970 -0.684 1.00 22.12 N ATOM 1539 CA ASP A 96 -4.787 -11.511 -0.754 1.00 22.34 C ATOM 1540 C ASP A 96 -4.038 -10.949 -1.957 1.00 3.35 C ATOM 1541 O ASP A 96 -4.550 -10.089 -2.675 1.00 31.22 O ATOM 1542 CB ASP A 96 -4.829 -13.038 -0.831 1.00 61.32 C ATOM 1543 CG ASP A 96 -5.674 -13.536 -1.988 1.00 12.22 C ATOM 1544 OD1 ASP A 96 -6.041 -12.712 -2.853 1.00 34.44 O ATOM 1545 OD2 ASP A 96 -5.968 -14.749 -2.028 1.00 43.24 O ATOM 0 H ASP A 96 -6.624 -10.928 -1.581 1.00 22.12 H new ATOM 0 HA ASP A 96 -4.257 -11.215 0.151 1.00 22.34 H new ATOM 0 HB2 ASP A 96 -3.814 -13.422 -0.934 1.00 61.32 H new ATOM 0 HB3 ASP A 96 -5.226 -13.435 0.103 1.00 61.32 H new ATOM 1550 N THR A 97 -2.821 -11.438 -2.172 1.00 3.33 N ATOM 1551 CA THR A 97 -2.000 -10.982 -3.287 1.00 1.13 C ATOM 1552 C THR A 97 -2.343 -11.736 -4.566 1.00 53.15 C ATOM 1553 O THR A 97 -2.260 -11.184 -5.662 1.00 41.24 O ATOM 1554 CB THR A 97 -0.499 -11.159 -2.988 1.00 11.14 C ATOM 1555 OG1 THR A 97 -0.127 -10.362 -1.858 1.00 32.11 O ATOM 1556 CG2 THR A 97 0.343 -10.764 -4.192 1.00 33.25 C ATOM 0 H THR A 97 -2.382 -12.150 -1.589 1.00 3.33 H new ATOM 0 HA THR A 97 -2.214 -9.922 -3.424 1.00 1.13 H new ATOM 0 HB THR A 97 -0.317 -12.211 -2.766 1.00 11.14 H new ATOM 0 HG1 THR A 97 0.516 -9.678 -2.138 1.00 32.11 H new ATOM 0 HG21 THR A 97 1.399 -10.897 -3.957 1.00 33.25 H new ATOM 0 HG22 THR A 97 0.078 -11.392 -5.043 1.00 33.25 H new ATOM 0 HG23 THR A 97 0.156 -9.719 -4.440 1.00 33.25 H new ATOM 1564 N GLU A 98 -2.730 -12.999 -4.419 1.00 22.13 N ATOM 1565 CA GLU A 98 -3.086 -13.827 -5.564 1.00 42.23 C ATOM 1566 C GLU A 98 -4.318 -13.272 -6.275 1.00 63.23 C ATOM 1567 O GLU A 98 -4.374 -13.236 -7.503 1.00 55.32 O ATOM 1568 CB GLU A 98 -3.347 -15.268 -5.120 1.00 2.24 C ATOM 1569 CG GLU A 98 -2.087 -16.111 -5.018 1.00 53.05 C ATOM 1570 CD GLU A 98 -1.768 -16.838 -6.310 1.00 4.02 C ATOM 1571 OE1 GLU A 98 -2.272 -16.413 -7.371 1.00 15.32 O ATOM 1572 OE2 GLU A 98 -1.013 -17.832 -6.261 1.00 73.13 O ATOM 0 H GLU A 98 -2.805 -13.471 -3.518 1.00 22.13 H new ATOM 0 HA GLU A 98 -2.248 -13.816 -6.261 1.00 42.23 H new ATOM 0 HB2 GLU A 98 -3.845 -15.256 -4.151 1.00 2.24 H new ATOM 0 HB3 GLU A 98 -4.032 -15.738 -5.825 1.00 2.24 H new ATOM 0 HG2 GLU A 98 -1.247 -15.471 -4.748 1.00 53.05 H new ATOM 0 HG3 GLU A 98 -2.205 -16.839 -4.215 1.00 53.05 H new ATOM 1579 N GLY A 99 -5.302 -12.841 -5.492 1.00 63.24 N ATOM 1580 CA GLY A 99 -6.519 -12.294 -6.063 1.00 64.32 C ATOM 1581 C GLY A 99 -6.255 -11.095 -6.952 1.00 3.33 C ATOM 1582 O GLY A 99 -6.824 -10.980 -8.037 1.00 31.33 O ATOM 0 H GLY A 99 -5.278 -12.861 -4.472 1.00 63.24 H new ATOM 0 HA2 GLY A 99 -7.024 -13.067 -6.642 1.00 64.32 H new ATOM 0 HA3 GLY A 99 -7.195 -12.004 -5.259 1.00 64.32 H new ATOM 1586 N ALA A 100 -5.389 -10.198 -6.491 1.00 20.44 N ATOM 1587 CA ALA A 100 -5.050 -9.001 -7.251 1.00 72.54 C ATOM 1588 C ALA A 100 -4.295 -9.358 -8.527 1.00 72.24 C ATOM 1589 O ALA A 100 -4.550 -8.791 -9.591 1.00 31.43 O ATOM 1590 CB ALA A 100 -4.227 -8.049 -6.398 1.00 24.01 C ATOM 0 H ALA A 100 -4.909 -10.278 -5.594 1.00 20.44 H new ATOM 0 HA ALA A 100 -5.978 -8.506 -7.535 1.00 72.54 H new ATOM 0 HB1 ALA A 100 -3.981 -7.160 -6.979 1.00 24.01 H new ATOM 0 HB2 ALA A 100 -4.801 -7.760 -5.518 1.00 24.01 H new ATOM 0 HB3 ALA A 100 -3.307 -8.543 -6.085 1.00 24.01 H new ATOM 1596 N LYS A 101 -3.366 -10.300 -8.416 1.00 65.23 N ATOM 1597 CA LYS A 101 -2.573 -10.733 -9.561 1.00 33.34 C ATOM 1598 C LYS A 101 -3.473 -11.221 -10.692 1.00 42.44 C ATOM 1599 O LYS A 101 -3.192 -10.982 -11.866 1.00 44.23 O ATOM 1600 CB LYS A 101 -1.608 -11.847 -9.147 1.00 74.52 C ATOM 1601 CG LYS A 101 -0.234 -11.729 -9.784 1.00 52.01 C ATOM 1602 CD LYS A 101 0.426 -13.089 -9.941 1.00 63.34 C ATOM 1603 CE LYS A 101 0.164 -13.681 -11.317 1.00 35.10 C ATOM 1604 NZ LYS A 101 -0.259 -15.107 -11.236 1.00 20.21 N ATOM 0 H LYS A 101 -3.143 -10.779 -7.544 1.00 65.23 H new ATOM 0 HA LYS A 101 -2.000 -9.878 -9.919 1.00 33.34 H new ATOM 0 HB2 LYS A 101 -1.499 -11.837 -8.063 1.00 74.52 H new ATOM 0 HB3 LYS A 101 -2.042 -12.810 -9.415 1.00 74.52 H new ATOM 0 HG2 LYS A 101 -0.324 -11.252 -10.760 1.00 52.01 H new ATOM 0 HG3 LYS A 101 0.398 -11.085 -9.172 1.00 52.01 H new ATOM 0 HD2 LYS A 101 1.500 -12.993 -9.784 1.00 63.34 H new ATOM 0 HD3 LYS A 101 0.051 -13.767 -9.175 1.00 63.34 H new ATOM 0 HE2 LYS A 101 -0.609 -13.101 -11.821 1.00 35.10 H new ATOM 0 HE3 LYS A 101 1.066 -13.604 -11.923 1.00 35.10 H new ATOM 0 HZ1 LYS A 101 -0.428 -15.474 -12.194 1.00 20.21 H new ATOM 0 HZ2 LYS A 101 0.489 -15.666 -10.778 1.00 20.21 H new ATOM 0 HZ3 LYS A 101 -1.134 -15.178 -10.679 1.00 20.21 H new ATOM 1618 N GLN A 102 -4.555 -11.902 -10.330 1.00 1.12 N ATOM 1619 CA GLN A 102 -5.496 -12.422 -11.316 1.00 44.42 C ATOM 1620 C GLN A 102 -6.231 -11.284 -12.018 1.00 72.11 C ATOM 1621 O GLN A 102 -6.393 -11.297 -13.239 1.00 33.01 O ATOM 1622 CB GLN A 102 -6.501 -13.359 -10.647 1.00 72.42 C ATOM 1623 CG GLN A 102 -6.266 -14.828 -10.961 1.00 50.25 C ATOM 1624 CD GLN A 102 -6.910 -15.753 -9.948 1.00 12.14 C ATOM 1625 OE1 GLN A 102 -7.747 -16.587 -10.295 1.00 30.20 O ATOM 1626 NE2 GLN A 102 -6.524 -15.609 -8.685 1.00 43.14 N ATOM 0 H GLN A 102 -4.802 -12.107 -9.362 1.00 1.12 H new ATOM 0 HA GLN A 102 -4.931 -12.981 -12.062 1.00 44.42 H new ATOM 0 HB2 GLN A 102 -6.456 -13.215 -9.567 1.00 72.42 H new ATOM 0 HB3 GLN A 102 -7.507 -13.085 -10.964 1.00 72.42 H new ATOM 0 HG2 GLN A 102 -6.660 -15.051 -11.952 1.00 50.25 H new ATOM 0 HG3 GLN A 102 -5.194 -15.021 -10.993 1.00 50.25 H new ATOM 0 HE21 GLN A 102 -5.827 -14.905 -8.442 1.00 43.14 H new ATOM 0 HE22 GLN A 102 -6.924 -16.203 -7.959 1.00 43.14 H new ATOM 1635 N ILE A 103 -6.674 -10.303 -11.239 1.00 22.13 N ATOM 1636 CA ILE A 103 -7.392 -9.159 -11.787 1.00 4.05 C ATOM 1637 C ILE A 103 -6.565 -8.452 -12.856 1.00 74.22 C ATOM 1638 O ILE A 103 -7.070 -8.126 -13.931 1.00 20.05 O ATOM 1639 CB ILE A 103 -7.760 -8.146 -10.687 1.00 23.43 C ATOM 1640 CG1 ILE A 103 -8.642 -8.809 -9.627 1.00 21.13 C ATOM 1641 CG2 ILE A 103 -8.464 -6.940 -11.291 1.00 75.30 C ATOM 1642 CD1 ILE A 103 -8.734 -8.023 -8.338 1.00 42.54 C ATOM 0 H ILE A 103 -6.548 -10.277 -10.227 1.00 22.13 H new ATOM 0 HA ILE A 103 -8.307 -9.546 -12.235 1.00 4.05 H new ATOM 0 HB ILE A 103 -6.843 -7.804 -10.207 1.00 23.43 H new ATOM 0 HG12 ILE A 103 -9.645 -8.944 -10.033 1.00 21.13 H new ATOM 0 HG13 ILE A 103 -8.250 -9.803 -9.410 1.00 21.13 H new ATOM 0 HG21 ILE A 103 -8.718 -6.233 -10.501 1.00 75.30 H new ATOM 0 HG22 ILE A 103 -7.804 -6.457 -12.012 1.00 75.30 H new ATOM 0 HG23 ILE A 103 -9.375 -7.265 -11.794 1.00 75.30 H new ATOM 0 HD11 ILE A 103 -9.375 -8.553 -7.634 1.00 42.54 H new ATOM 0 HD12 ILE A 103 -7.738 -7.910 -7.909 1.00 42.54 H new ATOM 0 HD13 ILE A 103 -9.155 -7.038 -8.542 1.00 42.54 H new ATOM 1654 N VAL A 104 -5.291 -8.221 -12.556 1.00 32.13 N ATOM 1655 CA VAL A 104 -4.393 -7.556 -13.492 1.00 74.33 C ATOM 1656 C VAL A 104 -4.232 -8.370 -14.771 1.00 72.12 C ATOM 1657 O VAL A 104 -4.360 -7.842 -15.875 1.00 62.14 O ATOM 1658 CB VAL A 104 -3.005 -7.321 -12.867 1.00 52.05 C ATOM 1659 CG1 VAL A 104 -2.073 -6.659 -13.871 1.00 74.31 C ATOM 1660 CG2 VAL A 104 -3.125 -6.481 -11.605 1.00 1.13 C ATOM 0 H VAL A 104 -4.857 -8.485 -11.671 1.00 32.13 H new ATOM 0 HA VAL A 104 -4.842 -6.593 -13.732 1.00 74.33 H new ATOM 0 HB VAL A 104 -2.580 -8.287 -12.594 1.00 52.05 H new ATOM 0 HG11 VAL A 104 -1.097 -6.501 -13.412 1.00 74.31 H new ATOM 0 HG12 VAL A 104 -1.963 -7.302 -14.744 1.00 74.31 H new ATOM 0 HG13 VAL A 104 -2.490 -5.700 -14.177 1.00 74.31 H new ATOM 0 HG21 VAL A 104 -2.135 -6.325 -11.176 1.00 1.13 H new ATOM 0 HG22 VAL A 104 -3.570 -5.517 -11.851 1.00 1.13 H new ATOM 0 HG23 VAL A 104 -3.756 -6.998 -10.882 1.00 1.13 H new ATOM 1670 N ARG A 105 -3.951 -9.659 -14.613 1.00 64.33 N ATOM 1671 CA ARG A 105 -3.770 -10.548 -15.756 1.00 34.14 C ATOM 1672 C ARG A 105 -4.972 -10.475 -16.694 1.00 44.04 C ATOM 1673 O ARG A 105 -4.820 -10.235 -17.893 1.00 34.13 O ATOM 1674 CB ARG A 105 -3.567 -11.987 -15.282 1.00 21.41 C ATOM 1675 CG ARG A 105 -3.270 -12.963 -16.409 1.00 64.33 C ATOM 1676 CD ARG A 105 -2.207 -13.974 -16.005 1.00 52.24 C ATOM 1677 NE ARG A 105 -2.692 -14.899 -14.984 1.00 71.22 N ATOM 1678 CZ ARG A 105 -3.522 -15.905 -15.238 1.00 43.44 C ATOM 1679 NH1 ARG A 105 -3.957 -16.114 -16.473 1.00 74.13 N ATOM 1680 NH2 ARG A 105 -3.918 -16.703 -14.256 1.00 31.42 N ATOM 0 H ARG A 105 -3.844 -10.112 -13.705 1.00 64.33 H new ATOM 0 HA ARG A 105 -2.883 -10.224 -16.301 1.00 34.14 H new ATOM 0 HB2 ARG A 105 -2.746 -12.012 -14.565 1.00 21.41 H new ATOM 0 HB3 ARG A 105 -4.462 -12.316 -14.754 1.00 21.41 H new ATOM 0 HG2 ARG A 105 -4.184 -13.487 -16.689 1.00 64.33 H new ATOM 0 HG3 ARG A 105 -2.935 -12.414 -17.289 1.00 64.33 H new ATOM 0 HD2 ARG A 105 -1.890 -14.537 -16.883 1.00 52.24 H new ATOM 0 HD3 ARG A 105 -1.330 -13.447 -15.630 1.00 52.24 H new ATOM 0 HE ARG A 105 -2.376 -14.765 -14.023 1.00 71.22 H new ATOM 0 HH11 ARG A 105 -3.654 -15.502 -17.231 1.00 74.13 H new ATOM 0 HH12 ARG A 105 -4.594 -16.887 -16.665 1.00 74.13 H new ATOM 0 HH21 ARG A 105 -3.585 -16.545 -13.305 1.00 31.42 H new ATOM 0 HH22 ARG A 105 -4.555 -17.475 -14.452 1.00 31.42 H new ATOM 1694 N ARG A 106 -6.161 -10.685 -16.142 1.00 73.30 N ATOM 1695 CA ARG A 106 -7.387 -10.645 -16.931 1.00 34.40 C ATOM 1696 C ARG A 106 -7.544 -9.295 -17.624 1.00 73.00 C ATOM 1697 O ARG A 106 -8.173 -9.196 -18.679 1.00 2.43 O ATOM 1698 CB ARG A 106 -8.601 -10.917 -16.040 1.00 22.14 C ATOM 1699 CG ARG A 106 -9.916 -10.964 -16.800 1.00 53.35 C ATOM 1700 CD ARG A 106 -10.595 -12.318 -16.656 1.00 45.43 C ATOM 1701 NE ARG A 106 -11.640 -12.515 -17.657 1.00 64.11 N ATOM 1702 CZ ARG A 106 -12.816 -11.898 -17.623 1.00 63.24 C ATOM 1703 NH1 ARG A 106 -13.096 -11.050 -16.644 1.00 44.41 N ATOM 1704 NH2 ARG A 106 -13.716 -12.131 -18.571 1.00 5.21 N ATOM 0 H ARG A 106 -6.303 -10.885 -15.152 1.00 73.30 H new ATOM 0 HA ARG A 106 -7.324 -11.421 -17.694 1.00 34.40 H new ATOM 0 HB2 ARG A 106 -8.456 -11.865 -15.523 1.00 22.14 H new ATOM 0 HB3 ARG A 106 -8.661 -10.143 -15.275 1.00 22.14 H new ATOM 0 HG2 ARG A 106 -10.579 -10.182 -16.430 1.00 53.35 H new ATOM 0 HG3 ARG A 106 -9.736 -10.757 -17.855 1.00 53.35 H new ATOM 0 HD2 ARG A 106 -9.850 -13.109 -16.749 1.00 45.43 H new ATOM 0 HD3 ARG A 106 -11.027 -12.403 -15.659 1.00 45.43 H new ATOM 0 HE ARG A 106 -11.457 -13.162 -18.424 1.00 64.11 H new ATOM 0 HH11 ARG A 106 -12.408 -10.869 -15.913 1.00 44.41 H new ATOM 0 HH12 ARG A 106 -14.000 -10.578 -16.621 1.00 44.41 H new ATOM 0 HH21 ARG A 106 -13.505 -12.784 -19.326 1.00 5.21 H new ATOM 0 HH22 ARG A 106 -14.619 -11.657 -18.545 1.00 5.21 H new ATOM 1718 N HIS A 107 -6.969 -8.258 -17.024 1.00 51.33 N ATOM 1719 CA HIS A 107 -7.044 -6.912 -17.584 1.00 35.33 C ATOM 1720 C HIS A 107 -6.037 -6.739 -18.718 1.00 12.54 C ATOM 1721 O HIS A 107 -6.260 -5.850 -19.541 1.00 64.11 O ATOM 1722 CB HIS A 107 -6.788 -5.869 -16.496 1.00 50.52 C ATOM 1723 CG HIS A 107 -7.967 -5.634 -15.601 1.00 73.43 C ATOM 1724 ND1 HIS A 107 -9.269 -5.637 -16.056 1.00 5.25 N ATOM 1725 CD2 HIS A 107 -8.035 -5.392 -14.271 1.00 41.31 C ATOM 1726 CE1 HIS A 107 -10.086 -5.404 -15.044 1.00 4.23 C ATOM 1727 NE2 HIS A 107 -9.361 -5.253 -13.950 1.00 15.23 N ATOM 0 H HIS A 107 -6.446 -8.323 -16.151 1.00 51.33 H new ATOM 0 HA HIS A 107 -8.047 -6.768 -17.986 1.00 35.33 H new ATOM 0 HB2 HIS A 107 -5.940 -6.189 -15.890 1.00 50.52 H new ATOM 0 HB3 HIS A 107 -6.506 -4.927 -16.966 1.00 50.52 H new ATOM 0 HD2 HIS A 107 -7.200 -5.321 -13.589 1.00 41.31 H new ATOM 0 HE1 HIS A 107 -11.163 -5.347 -15.101 1.00 4.23 H new ATOM 0 HE2 HIS A 107 -9.728 -5.064 -13.017 1.00 15.23 H new ATOM 1735 N LEU A 108 -4.976 -7.534 -18.781 1.00 70.43 N ATOM 1736 CA LEU A 108 -3.987 -7.408 -19.846 1.00 12.41 C ATOM 1737 C LEU A 108 -4.289 -8.371 -20.989 1.00 12.41 C ATOM 1738 O LEU A 108 -4.318 -7.978 -22.155 1.00 15.13 O ATOM 1739 CB LEU A 108 -2.583 -7.672 -19.298 1.00 65.14 C ATOM 1740 CG LEU A 108 -2.144 -6.796 -18.124 1.00 31.53 C ATOM 1741 CD1 LEU A 108 -0.981 -7.440 -17.385 1.00 13.24 C ATOM 1742 CD2 LEU A 108 -1.767 -5.404 -18.608 1.00 70.14 C ATOM 0 H LEU A 108 -4.778 -8.273 -18.107 1.00 70.43 H new ATOM 0 HA LEU A 108 -4.035 -6.390 -20.233 1.00 12.41 H new ATOM 0 HB2 LEU A 108 -2.526 -8.715 -18.988 1.00 65.14 H new ATOM 0 HB3 LEU A 108 -1.868 -7.542 -20.110 1.00 65.14 H new ATOM 0 HG LEU A 108 -2.981 -6.702 -17.432 1.00 31.53 H new ATOM 0 HD11 LEU A 108 -0.681 -6.803 -16.553 1.00 13.24 H new ATOM 0 HD12 LEU A 108 -1.287 -8.415 -17.005 1.00 13.24 H new ATOM 0 HD13 LEU A 108 -0.140 -7.564 -18.068 1.00 13.24 H new ATOM 0 HD21 LEU A 108 -1.457 -4.795 -17.759 1.00 70.14 H new ATOM 0 HD22 LEU A 108 -0.946 -5.477 -19.321 1.00 70.14 H new ATOM 0 HD23 LEU A 108 -2.627 -4.941 -19.092 1.00 70.14 H new