USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 610 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 81 SER OG : rot 180:sc= -0.0235 USER MOD Set 1.2: A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 31:sc= 0.153 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.0565 K(o=-0.057,f=-1.5!) USER MOD Single : A 26 GLN : amide:sc= -1.1 K(o=-1.1,f=0.6) USER MOD Single : A 27 HIS : no HD1:sc= -0.0399 X(o=-0.04,f=-0.17) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 160:sc= -2.15! USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.466 K(o=-0.47,f=-1) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc=-0.00459 K(o=-0.0046,f=-1.3!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 30:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 47 GLN : amide:sc= -0.0345 X(o=-0.034,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0124 USER MOD Single : A 51 LYS NZ :NH3+ -119:sc= -0.28 (180deg=-1.75!) USER MOD Single : A 63 THR OG1 : rot 37:sc= 0.078 USER MOD Single : A 68 ASN : amide:sc= -0.652 K(o=-0.65,f=0) USER MOD Single : A 69 GLN : amide:sc= -0.16 K(o=-0.16,f=-1.5!) USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 73 THR OG1 : rot -74:sc= 0.74 USER MOD Single : A 74 MET CE :methyl 149:sc= -0.193 (180deg=-1.09) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 CYS SG : rot -99:sc= -0.0337! USER MOD Single : A 99 HIS : no HD1:sc= -1.14 K(o=-1.1,f=-2.4!) USER MOD ----------------------------------------------------------------- ATOM 168 N THR A 15 -9.180 7.442 11.105 1.00 0.00 N ATOM 169 CA THR A 15 -7.956 7.257 10.336 1.00 0.00 C ATOM 170 C THR A 15 -7.273 5.943 10.697 1.00 0.00 C ATOM 171 O THR A 15 -7.175 5.584 11.870 1.00 0.00 O ATOM 172 CB THR A 15 -6.968 8.417 10.565 1.00 0.00 C ATOM 173 OG1 THR A 15 -7.626 9.670 10.351 1.00 0.00 O ATOM 174 CG2 THR A 15 -5.772 8.300 9.633 1.00 0.00 C ATOM 0 HA THR A 15 -8.243 7.237 9.285 1.00 0.00 H new ATOM 0 HB THR A 15 -6.613 8.365 11.594 1.00 0.00 H new ATOM 0 HG1 THR A 15 -8.571 9.590 10.598 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.088 9.130 9.813 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.256 7.358 9.819 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.113 8.329 8.598 1.00 0.00 H new ATOM 182 N LYS A 16 -6.799 5.229 9.681 1.00 0.00 N ATOM 183 CA LYS A 16 -6.122 3.955 9.890 1.00 0.00 C ATOM 184 C LYS A 16 -4.624 4.087 9.636 1.00 0.00 C ATOM 185 O LYS A 16 -4.182 5.000 8.940 1.00 0.00 O ATOM 186 CB LYS A 16 -6.714 2.883 8.973 1.00 0.00 C ATOM 187 CG LYS A 16 -8.163 2.550 9.282 1.00 0.00 C ATOM 188 CD LYS A 16 -8.296 1.807 10.600 1.00 0.00 C ATOM 189 CE LYS A 16 -9.731 1.821 11.106 1.00 0.00 C ATOM 190 NZ LYS A 16 -9.922 0.895 12.257 1.00 0.00 N ATOM 0 H LYS A 16 -6.872 5.512 8.704 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.271 3.658 10.928 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.640 3.220 7.939 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.116 1.976 9.056 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.748 3.469 9.321 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.577 1.942 8.477 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.964 0.777 10.473 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -7.642 2.263 11.344 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.001 2.834 11.406 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.404 1.538 10.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.912 0.933 12.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.689 -0.075 11.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.298 1.180 13.039 1.00 0.00 H new ATOM 204 N GLU A 17 -3.849 3.168 10.203 1.00 0.00 N ATOM 205 CA GLU A 17 -2.400 3.183 10.036 1.00 0.00 C ATOM 206 C GLU A 17 -1.865 1.772 9.808 1.00 0.00 C ATOM 207 O GLU A 17 -2.367 0.805 10.382 1.00 0.00 O ATOM 208 CB GLU A 17 -1.729 3.803 11.264 1.00 0.00 C ATOM 209 CG GLU A 17 -2.210 5.210 11.574 1.00 0.00 C ATOM 210 CD GLU A 17 -3.485 5.224 12.394 1.00 0.00 C ATOM 211 OE1 GLU A 17 -3.578 4.437 13.360 1.00 0.00 O ATOM 212 OE2 GLU A 17 -4.391 6.020 12.071 1.00 0.00 O ATOM 0 H GLU A 17 -4.199 2.404 10.781 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.167 3.788 9.160 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.914 3.166 12.129 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.651 3.823 11.107 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.429 5.746 12.114 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.377 5.747 10.640 1.00 0.00 H new ATOM 219 N LEU A 18 -0.843 1.663 8.966 1.00 0.00 N ATOM 220 CA LEU A 18 -0.239 0.371 8.660 1.00 0.00 C ATOM 221 C LEU A 18 1.271 0.504 8.484 1.00 0.00 C ATOM 222 O LEU A 18 1.743 1.274 7.647 1.00 0.00 O ATOM 223 CB LEU A 18 -0.861 -0.219 7.394 1.00 0.00 C ATOM 224 CG LEU A 18 -0.872 -1.745 7.299 1.00 0.00 C ATOM 225 CD1 LEU A 18 -2.053 -2.320 8.066 1.00 0.00 C ATOM 226 CD2 LEU A 18 -0.912 -2.189 5.844 1.00 0.00 C ATOM 0 H LEU A 18 -0.416 2.453 8.483 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.432 -0.299 9.498 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.888 0.137 7.318 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.323 0.175 6.532 1.00 0.00 H new ATOM 0 HG LEU A 18 0.046 -2.124 7.749 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.044 -3.407 7.987 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.981 -2.032 9.115 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.982 -1.933 7.647 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.919 -3.278 5.796 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.812 -1.799 5.369 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.033 -1.809 5.323 1.00 0.00 H new ATOM 238 N VAL A 19 2.023 -0.253 9.277 1.00 0.00 N ATOM 239 CA VAL A 19 3.479 -0.222 9.206 1.00 0.00 C ATOM 240 C VAL A 19 4.048 -1.619 8.987 1.00 0.00 C ATOM 241 O VAL A 19 3.548 -2.599 9.541 1.00 0.00 O ATOM 242 CB VAL A 19 4.090 0.375 10.488 1.00 0.00 C ATOM 243 CG1 VAL A 19 5.610 0.337 10.422 1.00 0.00 C ATOM 244 CG2 VAL A 19 3.593 1.796 10.703 1.00 0.00 C ATOM 0 H VAL A 19 1.648 -0.895 9.976 1.00 0.00 H new ATOM 0 HA VAL A 19 3.742 0.411 8.358 1.00 0.00 H new ATOM 0 HB VAL A 19 3.771 -0.229 11.338 1.00 0.00 H new ATOM 0 HG11 VAL A 19 6.025 0.763 11.336 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.944 -0.695 10.319 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.952 0.917 9.564 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.035 2.202 11.613 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.880 2.415 9.853 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.507 1.791 10.798 1.00 0.00 H new ATOM 254 N PHE A 20 5.098 -1.704 8.177 1.00 0.00 N ATOM 255 CA PHE A 20 5.736 -2.982 7.884 1.00 0.00 C ATOM 256 C PHE A 20 7.042 -2.776 7.122 1.00 0.00 C ATOM 257 O PHE A 20 7.141 -1.897 6.266 1.00 0.00 O ATOM 258 CB PHE A 20 4.794 -3.873 7.072 1.00 0.00 C ATOM 259 CG PHE A 20 4.243 -3.202 5.846 1.00 0.00 C ATOM 260 CD1 PHE A 20 4.997 -3.121 4.687 1.00 0.00 C ATOM 261 CD2 PHE A 20 2.971 -2.652 5.854 1.00 0.00 C ATOM 262 CE1 PHE A 20 4.493 -2.504 3.557 1.00 0.00 C ATOM 263 CE2 PHE A 20 2.462 -2.034 4.727 1.00 0.00 C ATOM 264 CZ PHE A 20 3.224 -1.959 3.577 1.00 0.00 C ATOM 0 H PHE A 20 5.525 -0.903 7.712 1.00 0.00 H new ATOM 0 HA PHE A 20 5.962 -3.472 8.831 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.327 -4.776 6.774 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.966 -4.187 7.708 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.990 -3.545 4.666 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.371 -2.707 6.750 1.00 0.00 H new ATOM 0 HE1 PHE A 20 5.091 -2.448 2.659 1.00 0.00 H new ATOM 0 HE2 PHE A 20 1.469 -1.610 4.746 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.828 -1.476 2.696 1.00 0.00 H new ATOM 274 N SER A 21 8.041 -3.593 7.440 1.00 0.00 N ATOM 275 CA SER A 21 9.343 -3.498 6.790 1.00 0.00 C ATOM 276 C SER A 21 9.264 -3.979 5.344 1.00 0.00 C ATOM 277 O SER A 21 8.577 -4.955 5.040 1.00 0.00 O ATOM 278 CB SER A 21 10.381 -4.319 7.556 1.00 0.00 C ATOM 279 OG SER A 21 10.111 -5.707 7.453 1.00 0.00 O ATOM 0 H SER A 21 7.974 -4.328 8.144 1.00 0.00 H new ATOM 0 HA SER A 21 9.646 -2.451 6.791 1.00 0.00 H new ATOM 0 HB2 SER A 21 11.376 -4.109 7.164 1.00 0.00 H new ATOM 0 HB3 SER A 21 10.382 -4.022 8.605 1.00 0.00 H new ATOM 0 HG SER A 21 10.790 -6.210 7.950 1.00 0.00 H new ATOM 285 N SER A 22 9.971 -3.287 4.457 1.00 0.00 N ATOM 286 CA SER A 22 9.979 -3.640 3.042 1.00 0.00 C ATOM 287 C SER A 22 10.331 -5.112 2.852 1.00 0.00 C ATOM 288 O SER A 22 10.074 -5.692 1.798 1.00 0.00 O ATOM 289 CB SER A 22 10.975 -2.763 2.281 1.00 0.00 C ATOM 290 OG SER A 22 11.333 -3.353 1.043 1.00 0.00 O ATOM 0 H SER A 22 10.546 -2.478 4.693 1.00 0.00 H new ATOM 0 HA SER A 22 8.979 -3.469 2.644 1.00 0.00 H new ATOM 0 HB2 SER A 22 10.539 -1.780 2.106 1.00 0.00 H new ATOM 0 HB3 SER A 22 11.868 -2.612 2.887 1.00 0.00 H new ATOM 0 HG SER A 22 11.969 -2.772 0.576 1.00 0.00 H new ATOM 296 N ASN A 23 10.922 -5.711 3.881 1.00 0.00 N ATOM 297 CA ASN A 23 11.311 -7.115 3.828 1.00 0.00 C ATOM 298 C ASN A 23 10.105 -8.003 3.539 1.00 0.00 C ATOM 299 O ASN A 23 10.252 -9.146 3.103 1.00 0.00 O ATOM 300 CB ASN A 23 11.964 -7.535 5.146 1.00 0.00 C ATOM 301 CG ASN A 23 12.787 -8.801 5.006 1.00 0.00 C ATOM 302 OD1 ASN A 23 13.276 -9.121 3.922 1.00 0.00 O ATOM 303 ND2 ASN A 23 12.945 -9.529 6.105 1.00 0.00 N ATOM 0 H ASN A 23 11.142 -5.246 4.762 1.00 0.00 H new ATOM 0 HA ASN A 23 12.031 -7.236 3.019 1.00 0.00 H new ATOM 0 HB2 ASN A 23 12.602 -6.728 5.505 1.00 0.00 H new ATOM 0 HB3 ASN A 23 11.191 -7.689 5.899 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.489 -10.391 6.072 1.00 0.00 H new ATOM 0 HD22 ASN A 23 12.522 -9.226 6.982 1.00 0.00 H new ATOM 310 N ILE A 24 8.913 -7.470 3.784 1.00 0.00 N ATOM 311 CA ILE A 24 7.681 -8.213 3.549 1.00 0.00 C ATOM 312 C ILE A 24 7.672 -8.837 2.157 1.00 0.00 C ATOM 313 O ILE A 24 7.964 -8.170 1.165 1.00 0.00 O ATOM 314 CB ILE A 24 6.441 -7.312 3.703 1.00 0.00 C ATOM 315 CG1 ILE A 24 5.167 -8.107 3.415 1.00 0.00 C ATOM 316 CG2 ILE A 24 6.543 -6.109 2.777 1.00 0.00 C ATOM 317 CD1 ILE A 24 3.927 -7.512 4.046 1.00 0.00 C ATOM 0 H ILE A 24 8.774 -6.526 4.145 1.00 0.00 H new ATOM 0 HA ILE A 24 7.642 -9.003 4.299 1.00 0.00 H new ATOM 0 HB ILE A 24 6.397 -6.952 4.731 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.022 -8.168 2.336 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.295 -9.127 3.777 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.660 -5.482 2.897 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.434 -5.533 3.026 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.608 -6.450 1.744 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.062 -8.128 3.800 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.051 -7.476 5.128 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.774 -6.502 3.665 1.00 0.00 H new ATOM 329 N GLY A 25 7.334 -10.121 2.092 1.00 0.00 N ATOM 330 CA GLY A 25 7.292 -10.813 0.817 1.00 0.00 C ATOM 331 C GLY A 25 5.942 -10.695 0.138 1.00 0.00 C ATOM 332 O GLY A 25 4.993 -10.167 0.717 1.00 0.00 O ATOM 0 H GLY A 25 7.089 -10.694 2.899 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.062 -10.407 0.161 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.527 -11.866 0.971 1.00 0.00 H new ATOM 336 N GLN A 26 5.856 -11.187 -1.094 1.00 0.00 N ATOM 337 CA GLN A 26 4.612 -11.131 -1.853 1.00 0.00 C ATOM 338 C GLN A 26 3.515 -11.931 -1.159 1.00 0.00 C ATOM 339 O GLN A 26 2.355 -11.518 -1.130 1.00 0.00 O ATOM 340 CB GLN A 26 4.831 -11.665 -3.270 1.00 0.00 C ATOM 341 CG GLN A 26 3.543 -11.850 -4.056 1.00 0.00 C ATOM 342 CD GLN A 26 2.711 -10.584 -4.120 1.00 0.00 C ATOM 343 OE1 GLN A 26 1.901 -10.314 -3.233 1.00 0.00 O ATOM 344 NE2 GLN A 26 2.909 -9.798 -5.172 1.00 0.00 N ATOM 0 H GLN A 26 6.632 -11.628 -1.587 1.00 0.00 H new ATOM 0 HA GLN A 26 4.296 -10.089 -1.909 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.482 -10.979 -3.811 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.352 -12.620 -3.213 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.783 -12.174 -5.069 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.954 -12.645 -3.599 1.00 0.00 H new ATOM 0 HE21 GLN A 26 3.591 -10.061 -5.884 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.379 -8.932 -5.268 1.00 0.00 H new ATOM 353 N HIS A 27 3.888 -13.079 -0.602 1.00 0.00 N ATOM 354 CA HIS A 27 2.935 -13.937 0.092 1.00 0.00 C ATOM 355 C HIS A 27 2.120 -13.137 1.104 1.00 0.00 C ATOM 356 O HIS A 27 0.890 -13.165 1.086 1.00 0.00 O ATOM 357 CB HIS A 27 3.665 -15.081 0.797 1.00 0.00 C ATOM 358 CG HIS A 27 4.233 -16.098 -0.143 1.00 0.00 C ATOM 359 ND1 HIS A 27 3.555 -16.562 -1.251 1.00 0.00 N ATOM 360 CD2 HIS A 27 5.425 -16.741 -0.138 1.00 0.00 C ATOM 361 CE1 HIS A 27 4.303 -17.447 -1.884 1.00 0.00 C ATOM 362 NE2 HIS A 27 5.443 -17.574 -1.230 1.00 0.00 N ATOM 0 H HIS A 27 4.843 -13.436 -0.618 1.00 0.00 H new ATOM 0 HA HIS A 27 2.253 -14.354 -0.649 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.471 -14.668 1.403 1.00 0.00 H new ATOM 0 HB3 HIS A 27 2.974 -15.575 1.480 1.00 0.00 H new ATOM 0 HD2 HIS A 27 6.214 -16.621 0.589 1.00 0.00 H new ATOM 0 HE1 HIS A 27 4.029 -17.977 -2.784 1.00 0.00 H new ATOM 0 HE2 HIS A 27 6.212 -18.190 -1.493 1.00 0.00 H new ATOM 371 N ASP A 28 2.815 -12.426 1.985 1.00 0.00 N ATOM 372 CA ASP A 28 2.156 -11.618 3.005 1.00 0.00 C ATOM 373 C ASP A 28 1.537 -10.366 2.391 1.00 0.00 C ATOM 374 O ASP A 28 0.340 -10.117 2.536 1.00 0.00 O ATOM 375 CB ASP A 28 3.152 -11.226 4.098 1.00 0.00 C ATOM 376 CG ASP A 28 4.000 -12.397 4.555 1.00 0.00 C ATOM 377 OD1 ASP A 28 4.777 -12.924 3.731 1.00 0.00 O ATOM 378 OD2 ASP A 28 3.887 -12.787 5.736 1.00 0.00 O ATOM 0 H ASP A 28 3.834 -12.393 2.014 1.00 0.00 H new ATOM 0 HA ASP A 28 1.359 -12.216 3.448 1.00 0.00 H new ATOM 0 HB2 ASP A 28 3.802 -10.434 3.726 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.609 -10.819 4.951 1.00 0.00 H new ATOM 383 N LEU A 29 2.361 -9.581 1.706 1.00 0.00 N ATOM 384 CA LEU A 29 1.895 -8.354 1.070 1.00 0.00 C ATOM 385 C LEU A 29 0.521 -8.555 0.439 1.00 0.00 C ATOM 386 O LEU A 29 -0.334 -7.670 0.494 1.00 0.00 O ATOM 387 CB LEU A 29 2.895 -7.896 0.006 1.00 0.00 C ATOM 388 CG LEU A 29 2.802 -6.429 -0.416 1.00 0.00 C ATOM 389 CD1 LEU A 29 3.073 -5.514 0.768 1.00 0.00 C ATOM 390 CD2 LEU A 29 3.773 -6.138 -1.551 1.00 0.00 C ATOM 0 H LEU A 29 3.355 -9.772 1.577 1.00 0.00 H new ATOM 0 HA LEU A 29 1.813 -7.585 1.838 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.902 -8.083 0.378 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.762 -8.517 -0.880 1.00 0.00 H new ATOM 0 HG LEU A 29 1.790 -6.237 -0.772 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.002 -4.474 0.448 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.338 -5.704 1.550 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.073 -5.707 1.156 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.693 -5.090 -1.838 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.791 -6.348 -1.222 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.532 -6.768 -2.407 1.00 0.00 H new ATOM 402 N ASP A 30 0.315 -9.723 -0.158 1.00 0.00 N ATOM 403 CA ASP A 30 -0.956 -10.042 -0.797 1.00 0.00 C ATOM 404 C ASP A 30 -2.125 -9.725 0.131 1.00 0.00 C ATOM 405 O ASP A 30 -3.107 -9.105 -0.279 1.00 0.00 O ATOM 406 CB ASP A 30 -0.994 -11.518 -1.198 1.00 0.00 C ATOM 407 CG ASP A 30 -2.208 -11.858 -2.041 1.00 0.00 C ATOM 408 OD1 ASP A 30 -2.229 -11.479 -3.231 1.00 0.00 O ATOM 409 OD2 ASP A 30 -3.136 -12.503 -1.510 1.00 0.00 O ATOM 0 H ASP A 30 1.012 -10.465 -0.213 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.048 -9.428 -1.693 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.089 -11.764 -1.754 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.994 -12.136 -0.300 1.00 0.00 H new ATOM 414 N THR A 31 -2.013 -10.155 1.384 1.00 0.00 N ATOM 415 CA THR A 31 -3.060 -9.919 2.370 1.00 0.00 C ATOM 416 C THR A 31 -3.088 -8.457 2.803 1.00 0.00 C ATOM 417 O THR A 31 -4.157 -7.874 2.987 1.00 0.00 O ATOM 418 CB THR A 31 -2.871 -10.807 3.614 1.00 0.00 C ATOM 419 OG1 THR A 31 -2.701 -12.173 3.219 1.00 0.00 O ATOM 420 CG2 THR A 31 -4.066 -10.690 4.549 1.00 0.00 C ATOM 0 H THR A 31 -1.207 -10.669 1.740 1.00 0.00 H new ATOM 0 HA THR A 31 -4.007 -10.172 1.892 1.00 0.00 H new ATOM 0 HB THR A 31 -1.980 -10.468 4.143 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.580 -12.731 4.015 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.910 -11.326 5.420 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.176 -9.654 4.871 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.969 -11.006 4.027 1.00 0.00 H new ATOM 428 N LYS A 32 -1.908 -7.870 2.963 1.00 0.00 N ATOM 429 CA LYS A 32 -1.796 -6.475 3.372 1.00 0.00 C ATOM 430 C LYS A 32 -2.675 -5.581 2.504 1.00 0.00 C ATOM 431 O LYS A 32 -3.399 -4.724 3.012 1.00 0.00 O ATOM 432 CB LYS A 32 -0.340 -6.012 3.289 1.00 0.00 C ATOM 433 CG LYS A 32 0.585 -6.737 4.251 1.00 0.00 C ATOM 434 CD LYS A 32 0.531 -6.128 5.642 1.00 0.00 C ATOM 435 CE LYS A 32 1.840 -6.331 6.391 1.00 0.00 C ATOM 436 NZ LYS A 32 1.760 -5.831 7.791 1.00 0.00 N ATOM 0 H LYS A 32 -1.014 -8.339 2.816 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.137 -6.397 4.404 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.021 -6.158 2.271 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.296 -4.942 3.492 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.306 -7.789 4.302 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.607 -6.697 3.875 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.316 -5.062 5.566 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.286 -6.578 6.206 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.094 -7.391 6.398 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.643 -5.814 5.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.671 -5.987 8.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.542 -4.814 7.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.011 -6.342 8.300 1.00 0.00 H new ATOM 450 N SER A 33 -2.608 -5.787 1.193 1.00 0.00 N ATOM 451 CA SER A 33 -3.397 -4.997 0.254 1.00 0.00 C ATOM 452 C SER A 33 -4.888 -5.146 0.538 1.00 0.00 C ATOM 453 O SER A 33 -5.589 -4.161 0.775 1.00 0.00 O ATOM 454 CB SER A 33 -3.095 -5.425 -1.184 1.00 0.00 C ATOM 455 OG SER A 33 -1.793 -5.022 -1.573 1.00 0.00 O ATOM 0 H SER A 33 -2.016 -6.494 0.757 1.00 0.00 H new ATOM 0 HA SER A 33 -3.124 -3.949 0.379 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.185 -6.508 -1.271 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.831 -4.988 -1.859 1.00 0.00 H new ATOM 0 HG SER A 33 -1.499 -5.559 -2.338 1.00 0.00 H new ATOM 461 N LYS A 34 -5.369 -6.384 0.511 1.00 0.00 N ATOM 462 CA LYS A 34 -6.777 -6.665 0.767 1.00 0.00 C ATOM 463 C LYS A 34 -7.272 -5.896 1.988 1.00 0.00 C ATOM 464 O LYS A 34 -8.257 -5.163 1.912 1.00 0.00 O ATOM 465 CB LYS A 34 -6.989 -8.166 0.976 1.00 0.00 C ATOM 466 CG LYS A 34 -6.787 -8.990 -0.284 1.00 0.00 C ATOM 467 CD LYS A 34 -6.468 -10.440 0.043 1.00 0.00 C ATOM 468 CE LYS A 34 -7.710 -11.197 0.487 1.00 0.00 C ATOM 469 NZ LYS A 34 -8.563 -11.592 -0.668 1.00 0.00 N ATOM 0 H LYS A 34 -4.804 -7.210 0.314 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.350 -6.341 -0.102 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.301 -8.518 1.745 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.999 -8.333 1.351 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.686 -8.944 -0.898 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.976 -8.562 -0.874 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.038 -10.926 -0.833 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.715 -10.480 0.831 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.413 -12.088 1.041 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.289 -10.575 1.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -9.399 -12.105 -0.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -8.867 -10.741 -1.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.019 -12.206 -1.307 1.00 0.00 H new ATOM 483 N GLN A 35 -6.581 -6.068 3.110 1.00 0.00 N ATOM 484 CA GLN A 35 -6.952 -5.389 4.346 1.00 0.00 C ATOM 485 C GLN A 35 -7.154 -3.897 4.107 1.00 0.00 C ATOM 486 O GLN A 35 -8.181 -3.332 4.485 1.00 0.00 O ATOM 487 CB GLN A 35 -5.877 -5.606 5.413 1.00 0.00 C ATOM 488 CG GLN A 35 -6.403 -5.498 6.836 1.00 0.00 C ATOM 489 CD GLN A 35 -7.415 -6.576 7.168 1.00 0.00 C ATOM 490 OE1 GLN A 35 -8.604 -6.437 6.880 1.00 0.00 O ATOM 491 NE2 GLN A 35 -6.948 -7.659 7.777 1.00 0.00 N ATOM 0 H GLN A 35 -5.762 -6.671 3.189 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.893 -5.813 4.696 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -5.431 -6.591 5.273 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -5.083 -4.873 5.271 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.568 -5.562 7.534 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -6.861 -4.519 6.976 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -5.955 -7.732 7.997 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -7.582 -8.418 8.025 1.00 0.00 H new ATOM 500 N ILE A 36 -6.169 -3.264 3.479 1.00 0.00 N ATOM 501 CA ILE A 36 -6.240 -1.837 3.189 1.00 0.00 C ATOM 502 C ILE A 36 -7.459 -1.510 2.332 1.00 0.00 C ATOM 503 O ILE A 36 -8.217 -0.591 2.641 1.00 0.00 O ATOM 504 CB ILE A 36 -4.972 -1.345 2.468 1.00 0.00 C ATOM 505 CG1 ILE A 36 -3.736 -1.597 3.334 1.00 0.00 C ATOM 506 CG2 ILE A 36 -5.095 0.133 2.129 1.00 0.00 C ATOM 507 CD1 ILE A 36 -2.431 -1.395 2.597 1.00 0.00 C ATOM 0 H ILE A 36 -5.312 -3.717 3.161 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.325 -1.324 4.147 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.861 -1.903 1.538 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.764 -0.930 4.196 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.773 -2.616 3.718 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.191 0.466 1.620 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.956 0.287 1.478 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.227 0.707 3.046 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.598 -1.591 3.272 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.381 -2.080 1.751 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.372 -0.368 2.236 1.00 0.00 H new ATOM 519 N GLN A 37 -7.640 -2.269 1.257 1.00 0.00 N ATOM 520 CA GLN A 37 -8.767 -2.061 0.356 1.00 0.00 C ATOM 521 C GLN A 37 -10.061 -1.868 1.139 1.00 0.00 C ATOM 522 O GLN A 37 -10.743 -0.855 0.988 1.00 0.00 O ATOM 523 CB GLN A 37 -8.908 -3.245 -0.602 1.00 0.00 C ATOM 524 CG GLN A 37 -9.759 -2.941 -1.824 1.00 0.00 C ATOM 525 CD GLN A 37 -10.396 -4.183 -2.415 1.00 0.00 C ATOM 526 OE1 GLN A 37 -11.309 -4.766 -1.828 1.00 0.00 O ATOM 527 NE2 GLN A 37 -9.918 -4.596 -3.583 1.00 0.00 N ATOM 0 H GLN A 37 -7.021 -3.034 0.988 1.00 0.00 H new ATOM 0 HA GLN A 37 -8.575 -1.157 -0.222 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.916 -3.557 -0.929 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -9.346 -4.086 -0.065 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.540 -2.232 -1.551 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -9.141 -2.459 -2.581 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -9.161 -4.083 -4.034 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -10.308 -5.426 -4.029 1.00 0.00 H new ATOM 536 N GLN A 38 -10.393 -2.847 1.974 1.00 0.00 N ATOM 537 CA GLN A 38 -11.607 -2.785 2.780 1.00 0.00 C ATOM 538 C GLN A 38 -11.754 -1.417 3.438 1.00 0.00 C ATOM 539 O GLN A 38 -12.861 -0.893 3.561 1.00 0.00 O ATOM 540 CB GLN A 38 -11.591 -3.879 3.849 1.00 0.00 C ATOM 541 CG GLN A 38 -11.558 -5.288 3.278 1.00 0.00 C ATOM 542 CD GLN A 38 -12.882 -5.701 2.666 1.00 0.00 C ATOM 543 OE1 GLN A 38 -13.919 -5.091 2.932 1.00 0.00 O ATOM 544 NE2 GLN A 38 -12.855 -6.741 1.841 1.00 0.00 N ATOM 0 H GLN A 38 -9.839 -3.692 2.110 1.00 0.00 H new ATOM 0 HA GLN A 38 -12.460 -2.944 2.120 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.722 -3.736 4.491 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -12.474 -3.772 4.480 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -10.777 -5.351 2.521 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.293 -5.990 4.068 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -11.973 -7.217 1.649 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -13.716 -7.064 1.399 1.00 0.00 H new ATOM 553 N TRP A 39 -10.632 -0.845 3.858 1.00 0.00 N ATOM 554 CA TRP A 39 -10.636 0.463 4.504 1.00 0.00 C ATOM 555 C TRP A 39 -10.918 1.569 3.493 1.00 0.00 C ATOM 556 O TRP A 39 -11.828 2.377 3.681 1.00 0.00 O ATOM 557 CB TRP A 39 -9.297 0.717 5.197 1.00 0.00 C ATOM 558 CG TRP A 39 -9.011 -0.246 6.309 1.00 0.00 C ATOM 559 CD1 TRP A 39 -9.927 -0.901 7.081 1.00 0.00 C ATOM 560 CD2 TRP A 39 -7.722 -0.659 6.775 1.00 0.00 C ATOM 561 NE1 TRP A 39 -9.285 -1.697 7.999 1.00 0.00 N ATOM 562 CE2 TRP A 39 -7.932 -1.567 7.831 1.00 0.00 C ATOM 563 CE3 TRP A 39 -6.411 -0.352 6.401 1.00 0.00 C ATOM 564 CZ2 TRP A 39 -6.879 -2.168 8.516 1.00 0.00 C ATOM 565 CZ3 TRP A 39 -5.367 -0.949 7.082 1.00 0.00 C ATOM 566 CH2 TRP A 39 -5.606 -1.849 8.129 1.00 0.00 C ATOM 0 H TRP A 39 -9.708 -1.266 3.763 1.00 0.00 H new ATOM 0 HA TRP A 39 -11.430 0.469 5.251 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -8.497 0.657 4.459 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -9.288 1.732 5.594 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -10.999 -0.807 6.984 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -9.742 -2.289 8.693 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -6.217 0.339 5.594 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -7.061 -2.861 9.324 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -4.350 -0.718 6.802 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -4.769 -2.300 8.641 1.00 0.00 H new ATOM 577 N ILE A 40 -10.133 1.598 2.421 1.00 0.00 N ATOM 578 CA ILE A 40 -10.300 2.605 1.380 1.00 0.00 C ATOM 579 C ILE A 40 -11.743 2.655 0.891 1.00 0.00 C ATOM 580 O ILE A 40 -12.245 3.715 0.516 1.00 0.00 O ATOM 581 CB ILE A 40 -9.372 2.334 0.181 1.00 0.00 C ATOM 582 CG1 ILE A 40 -7.911 2.309 0.634 1.00 0.00 C ATOM 583 CG2 ILE A 40 -9.581 3.386 -0.898 1.00 0.00 C ATOM 584 CD1 ILE A 40 -7.350 3.680 0.939 1.00 0.00 C ATOM 0 H ILE A 40 -9.376 0.936 2.251 1.00 0.00 H new ATOM 0 HA ILE A 40 -10.036 3.565 1.824 1.00 0.00 H new ATOM 0 HB ILE A 40 -9.619 1.358 -0.238 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.825 1.684 1.523 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -7.306 1.842 -0.143 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -8.918 3.181 -1.739 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -10.617 3.359 -1.237 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -9.358 4.373 -0.492 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.311 3.586 1.254 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.404 4.302 0.046 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -7.931 4.141 1.738 1.00 0.00 H new ATOM 596 N GLU A 41 -12.406 1.503 0.900 1.00 0.00 N ATOM 597 CA GLU A 41 -13.793 1.417 0.457 1.00 0.00 C ATOM 598 C GLU A 41 -14.645 2.491 1.127 1.00 0.00 C ATOM 599 O GLU A 41 -15.401 3.203 0.465 1.00 0.00 O ATOM 600 CB GLU A 41 -14.365 0.032 0.765 1.00 0.00 C ATOM 601 CG GLU A 41 -13.785 -1.073 -0.103 1.00 0.00 C ATOM 602 CD GLU A 41 -14.731 -2.248 -0.261 1.00 0.00 C ATOM 603 OE1 GLU A 41 -15.079 -2.871 0.764 1.00 0.00 O ATOM 604 OE2 GLU A 41 -15.122 -2.543 -1.409 1.00 0.00 O ATOM 0 H GLU A 41 -12.006 0.617 1.209 1.00 0.00 H new ATOM 0 HA GLU A 41 -13.814 1.580 -0.621 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -14.178 -0.204 1.812 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -15.447 0.057 0.632 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -13.546 -0.669 -1.087 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -12.850 -1.421 0.335 1.00 0.00 H new ATOM 611 N LYS A 42 -14.519 2.602 2.445 1.00 0.00 N ATOM 612 CA LYS A 42 -15.275 3.589 3.207 1.00 0.00 C ATOM 613 C LYS A 42 -14.548 4.929 3.234 1.00 0.00 C ATOM 614 O LYS A 42 -14.635 5.675 4.210 1.00 0.00 O ATOM 615 CB LYS A 42 -15.506 3.092 4.636 1.00 0.00 C ATOM 616 CG LYS A 42 -16.528 1.973 4.734 1.00 0.00 C ATOM 617 CD LYS A 42 -16.468 1.279 6.084 1.00 0.00 C ATOM 618 CE LYS A 42 -17.651 0.344 6.284 1.00 0.00 C ATOM 619 NZ LYS A 42 -17.441 -0.578 7.435 1.00 0.00 N ATOM 0 H LYS A 42 -13.899 2.020 3.008 1.00 0.00 H new ATOM 0 HA LYS A 42 -16.239 3.729 2.717 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.559 2.744 5.048 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -15.835 3.928 5.254 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -17.528 2.377 4.576 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -16.350 1.246 3.942 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -15.539 0.714 6.163 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -16.455 2.026 6.878 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -18.554 0.931 6.449 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -17.811 -0.238 5.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -18.269 -1.199 7.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -16.593 -1.157 7.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -17.314 -0.023 8.305 1.00 0.00 H new ATOM 633 N LYS A 43 -13.832 5.231 2.156 1.00 0.00 N ATOM 634 CA LYS A 43 -13.092 6.483 2.055 1.00 0.00 C ATOM 635 C LYS A 43 -12.278 6.738 3.319 1.00 0.00 C ATOM 636 O LYS A 43 -12.260 7.852 3.843 1.00 0.00 O ATOM 637 CB LYS A 43 -14.053 7.649 1.810 1.00 0.00 C ATOM 638 CG LYS A 43 -14.646 7.664 0.411 1.00 0.00 C ATOM 639 CD LYS A 43 -13.683 8.270 -0.596 1.00 0.00 C ATOM 640 CE LYS A 43 -13.636 9.786 -0.482 1.00 0.00 C ATOM 641 NZ LYS A 43 -14.738 10.434 -1.246 1.00 0.00 N ATOM 0 H LYS A 43 -13.749 4.625 1.340 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.405 6.403 1.212 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -14.863 7.601 2.538 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -13.525 8.587 1.982 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -14.896 6.647 0.110 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -15.576 8.233 0.415 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -12.685 7.861 -0.438 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.986 7.989 -1.605 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.703 10.074 0.567 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -12.676 10.148 -0.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.671 11.467 -1.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -14.659 10.180 -2.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -15.654 10.108 -0.878 1.00 0.00 H new ATOM 655 N TYR A 44 -11.606 5.700 3.804 1.00 0.00 N ATOM 656 CA TYR A 44 -10.791 5.812 5.008 1.00 0.00 C ATOM 657 C TYR A 44 -9.343 6.140 4.657 1.00 0.00 C ATOM 658 O TYR A 44 -8.763 5.549 3.745 1.00 0.00 O ATOM 659 CB TYR A 44 -10.851 4.513 5.812 1.00 0.00 C ATOM 660 CG TYR A 44 -12.132 4.344 6.596 1.00 0.00 C ATOM 661 CD1 TYR A 44 -12.653 5.392 7.346 1.00 0.00 C ATOM 662 CD2 TYR A 44 -12.822 3.138 6.589 1.00 0.00 C ATOM 663 CE1 TYR A 44 -13.824 5.242 8.065 1.00 0.00 C ATOM 664 CE2 TYR A 44 -13.993 2.980 7.303 1.00 0.00 C ATOM 665 CZ TYR A 44 -14.490 4.035 8.040 1.00 0.00 C ATOM 666 OH TYR A 44 -15.656 3.881 8.754 1.00 0.00 O ATOM 0 H TYR A 44 -11.609 4.771 3.382 1.00 0.00 H new ATOM 0 HA TYR A 44 -11.192 6.625 5.613 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -10.738 3.669 5.132 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -10.007 4.483 6.501 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -12.134 6.339 7.367 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -12.435 2.309 6.015 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -14.215 6.066 8.643 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -14.517 2.036 7.285 1.00 0.00 H new ATOM 0 HH TYR A 44 -16.119 4.742 8.813 1.00 0.00 H new ATOM 676 N HIS A 45 -8.764 7.088 5.388 1.00 0.00 N ATOM 677 CA HIS A 45 -7.382 7.495 5.156 1.00 0.00 C ATOM 678 C HIS A 45 -6.410 6.494 5.772 1.00 0.00 C ATOM 679 O HIS A 45 -6.243 6.444 6.991 1.00 0.00 O ATOM 680 CB HIS A 45 -7.135 8.888 5.736 1.00 0.00 C ATOM 681 CG HIS A 45 -7.412 9.997 4.769 1.00 0.00 C ATOM 682 ND1 HIS A 45 -6.606 10.268 3.684 1.00 0.00 N ATOM 683 CD2 HIS A 45 -8.414 10.906 4.728 1.00 0.00 C ATOM 684 CE1 HIS A 45 -7.099 11.297 3.018 1.00 0.00 C ATOM 685 NE2 HIS A 45 -8.197 11.702 3.631 1.00 0.00 N ATOM 0 H HIS A 45 -9.230 7.588 6.145 1.00 0.00 H new ATOM 0 HA HIS A 45 -7.213 7.523 4.080 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -7.761 9.021 6.618 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -6.099 8.956 6.067 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -9.232 10.989 5.428 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.676 11.733 2.125 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -8.788 12.480 3.337 1.00 0.00 H new ATOM 694 N VAL A 46 -5.771 5.697 4.922 1.00 0.00 N ATOM 695 CA VAL A 46 -4.815 4.697 5.383 1.00 0.00 C ATOM 696 C VAL A 46 -3.381 5.177 5.190 1.00 0.00 C ATOM 697 O VAL A 46 -2.929 5.374 4.062 1.00 0.00 O ATOM 698 CB VAL A 46 -5.000 3.359 4.642 1.00 0.00 C ATOM 699 CG1 VAL A 46 -4.064 2.302 5.207 1.00 0.00 C ATOM 700 CG2 VAL A 46 -6.449 2.901 4.726 1.00 0.00 C ATOM 0 H VAL A 46 -5.898 5.724 3.910 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.005 4.545 6.446 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.749 3.507 3.591 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.209 1.364 4.671 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.031 2.631 5.090 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.280 2.153 6.265 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.563 1.954 4.198 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.729 2.769 5.771 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.095 3.651 4.269 1.00 0.00 H new ATOM 710 N GLN A 47 -2.671 5.363 6.298 1.00 0.00 N ATOM 711 CA GLN A 47 -1.287 5.821 6.250 1.00 0.00 C ATOM 712 C GLN A 47 -0.322 4.641 6.286 1.00 0.00 C ATOM 713 O GLN A 47 -0.121 4.022 7.332 1.00 0.00 O ATOM 714 CB GLN A 47 -1.000 6.767 7.417 1.00 0.00 C ATOM 715 CG GLN A 47 0.472 7.113 7.572 1.00 0.00 C ATOM 716 CD GLN A 47 0.725 8.099 8.695 1.00 0.00 C ATOM 717 OE1 GLN A 47 1.490 7.822 9.620 1.00 0.00 O ATOM 718 NE2 GLN A 47 0.083 9.259 8.622 1.00 0.00 N ATOM 0 H GLN A 47 -3.031 5.204 7.239 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.140 6.358 5.313 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.568 7.687 7.276 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.356 6.310 8.340 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.038 6.201 7.761 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.843 7.531 6.636 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -0.542 9.448 7.838 1.00 0.00 H new ATOM 0 HE22 GLN A 47 0.215 9.961 9.350 1.00 0.00 H new ATOM 727 N VAL A 48 0.274 4.334 5.138 1.00 0.00 N ATOM 728 CA VAL A 48 1.219 3.228 5.039 1.00 0.00 C ATOM 729 C VAL A 48 2.652 3.712 5.231 1.00 0.00 C ATOM 730 O VAL A 48 3.077 4.690 4.616 1.00 0.00 O ATOM 731 CB VAL A 48 1.107 2.515 3.678 1.00 0.00 C ATOM 732 CG1 VAL A 48 2.122 1.386 3.582 1.00 0.00 C ATOM 733 CG2 VAL A 48 -0.305 1.992 3.466 1.00 0.00 C ATOM 0 H VAL A 48 0.119 4.836 4.264 1.00 0.00 H new ATOM 0 HA VAL A 48 0.967 2.523 5.832 1.00 0.00 H new ATOM 0 HB VAL A 48 1.325 3.236 2.890 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.028 0.894 2.614 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.128 1.792 3.687 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.938 0.663 4.376 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.366 1.491 2.500 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.554 1.285 4.258 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.008 2.824 3.489 1.00 0.00 H new ATOM 743 N THR A 49 3.395 3.019 6.089 1.00 0.00 N ATOM 744 CA THR A 49 4.780 3.377 6.363 1.00 0.00 C ATOM 745 C THR A 49 5.697 2.166 6.235 1.00 0.00 C ATOM 746 O THR A 49 5.567 1.196 6.983 1.00 0.00 O ATOM 747 CB THR A 49 4.937 3.978 7.772 1.00 0.00 C ATOM 748 OG1 THR A 49 3.998 5.043 7.957 1.00 0.00 O ATOM 749 CG2 THR A 49 6.350 4.499 7.984 1.00 0.00 C ATOM 0 H THR A 49 3.060 2.206 6.606 1.00 0.00 H new ATOM 0 HA THR A 49 5.065 4.125 5.623 1.00 0.00 H new ATOM 0 HB THR A 49 4.744 3.192 8.502 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.103 5.419 8.856 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.436 4.919 8.986 1.00 0.00 H new ATOM 0 HG22 THR A 49 7.060 3.680 7.871 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.567 5.272 7.247 1.00 0.00 H new ATOM 757 N ILE A 50 6.624 2.228 5.285 1.00 0.00 N ATOM 758 CA ILE A 50 7.563 1.136 5.062 1.00 0.00 C ATOM 759 C ILE A 50 8.859 1.360 5.833 1.00 0.00 C ATOM 760 O ILE A 50 9.652 2.240 5.496 1.00 0.00 O ATOM 761 CB ILE A 50 7.891 0.973 3.566 1.00 0.00 C ATOM 762 CG1 ILE A 50 6.606 0.981 2.736 1.00 0.00 C ATOM 763 CG2 ILE A 50 8.671 -0.312 3.332 1.00 0.00 C ATOM 764 CD1 ILE A 50 6.850 1.026 1.244 1.00 0.00 C ATOM 0 H ILE A 50 6.745 3.023 4.657 1.00 0.00 H new ATOM 0 HA ILE A 50 7.081 0.227 5.422 1.00 0.00 H new ATOM 0 HB ILE A 50 8.510 1.813 3.251 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.024 0.091 2.974 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.003 1.842 3.023 1.00 0.00 H new ATOM 0 HG21 ILE A 50 8.895 -0.413 2.270 1.00 0.00 H new ATOM 0 HG22 ILE A 50 9.602 -0.281 3.898 1.00 0.00 H new ATOM 0 HG23 ILE A 50 8.075 -1.164 3.660 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.895 1.029 0.719 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.405 1.930 0.993 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.426 0.151 0.943 1.00 0.00 H new ATOM 776 N LYS A 51 9.070 0.557 6.870 1.00 0.00 N ATOM 777 CA LYS A 51 10.272 0.663 7.689 1.00 0.00 C ATOM 778 C LYS A 51 11.480 0.085 6.960 1.00 0.00 C ATOM 779 O LYS A 51 11.448 -1.052 6.490 1.00 0.00 O ATOM 780 CB LYS A 51 10.072 -0.063 9.022 1.00 0.00 C ATOM 781 CG LYS A 51 8.861 0.420 9.801 1.00 0.00 C ATOM 782 CD LYS A 51 8.858 -0.124 11.220 1.00 0.00 C ATOM 783 CE LYS A 51 8.410 -1.577 11.258 1.00 0.00 C ATOM 784 NZ LYS A 51 9.536 -2.512 10.978 1.00 0.00 N ATOM 0 H LYS A 51 8.424 -0.175 7.164 1.00 0.00 H new ATOM 0 HA LYS A 51 10.458 1.720 7.882 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.969 -1.131 8.833 1.00 0.00 H new ATOM 0 HB3 LYS A 51 10.964 0.068 9.635 1.00 0.00 H new ATOM 0 HG2 LYS A 51 8.855 1.510 9.828 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.950 0.109 9.289 1.00 0.00 H new ATOM 0 HD2 LYS A 51 9.858 -0.039 11.646 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.195 0.479 11.841 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.987 -1.801 12.237 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.618 -1.732 10.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.323 -3.066 10.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.410 -1.968 10.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.662 -3.156 11.785 1.00 0.00 H new ATOM 978 N THR A 63 12.422 0.650 -2.472 1.00 0.00 N ATOM 979 CA THR A 63 11.338 0.541 -1.503 1.00 0.00 C ATOM 980 C THR A 63 10.073 1.220 -2.015 1.00 0.00 C ATOM 981 O THR A 63 8.962 0.759 -1.755 1.00 0.00 O ATOM 982 CB THR A 63 11.729 1.164 -0.150 1.00 0.00 C ATOM 983 OG1 THR A 63 12.911 0.533 0.357 1.00 0.00 O ATOM 984 CG2 THR A 63 10.600 1.021 0.859 1.00 0.00 C ATOM 0 HA THR A 63 11.145 -0.523 -1.363 1.00 0.00 H new ATOM 0 HB THR A 63 11.922 2.225 -0.307 1.00 0.00 H new ATOM 0 HG1 THR A 63 13.513 0.320 -0.387 1.00 0.00 H new ATOM 0 HG21 THR A 63 10.900 1.468 1.807 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.711 1.527 0.484 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.379 -0.036 1.011 1.00 0.00 H new ATOM 992 N GLU A 64 10.249 2.318 -2.745 1.00 0.00 N ATOM 993 CA GLU A 64 9.119 3.059 -3.293 1.00 0.00 C ATOM 994 C GLU A 64 8.204 2.141 -4.097 1.00 0.00 C ATOM 995 O GLU A 64 6.982 2.199 -3.969 1.00 0.00 O ATOM 996 CB GLU A 64 9.614 4.206 -4.177 1.00 0.00 C ATOM 997 CG GLU A 64 9.828 5.507 -3.422 1.00 0.00 C ATOM 998 CD GLU A 64 11.127 5.522 -2.641 1.00 0.00 C ATOM 999 OE1 GLU A 64 11.143 4.996 -1.508 1.00 0.00 O ATOM 1000 OE2 GLU A 64 12.127 6.060 -3.160 1.00 0.00 O ATOM 0 H GLU A 64 11.162 2.713 -2.970 1.00 0.00 H new ATOM 0 HA GLU A 64 8.549 3.471 -2.460 1.00 0.00 H new ATOM 0 HB2 GLU A 64 10.551 3.911 -4.649 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.893 4.374 -4.977 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.824 6.337 -4.128 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.995 5.666 -2.737 1.00 0.00 H new ATOM 1007 N GLU A 65 8.806 1.294 -4.927 1.00 0.00 N ATOM 1008 CA GLU A 65 8.045 0.365 -5.754 1.00 0.00 C ATOM 1009 C GLU A 65 6.960 -0.328 -4.935 1.00 0.00 C ATOM 1010 O GLU A 65 5.839 -0.521 -5.407 1.00 0.00 O ATOM 1011 CB GLU A 65 8.976 -0.679 -6.375 1.00 0.00 C ATOM 1012 CG GLU A 65 9.763 -0.161 -7.566 1.00 0.00 C ATOM 1013 CD GLU A 65 10.307 -1.277 -8.437 1.00 0.00 C ATOM 1014 OE1 GLU A 65 9.534 -2.201 -8.766 1.00 0.00 O ATOM 1015 OE2 GLU A 65 11.504 -1.227 -8.788 1.00 0.00 O ATOM 0 H GLU A 65 9.817 1.232 -5.044 1.00 0.00 H new ATOM 0 HA GLU A 65 7.567 0.935 -6.551 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.673 -1.030 -5.614 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.385 -1.540 -6.687 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.122 0.484 -8.167 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.590 0.453 -7.210 1.00 0.00 H new ATOM 1022 N ILE A 66 7.301 -0.701 -3.706 1.00 0.00 N ATOM 1023 CA ILE A 66 6.357 -1.371 -2.821 1.00 0.00 C ATOM 1024 C ILE A 66 4.972 -0.740 -2.916 1.00 0.00 C ATOM 1025 O ILE A 66 4.006 -1.392 -3.312 1.00 0.00 O ATOM 1026 CB ILE A 66 6.830 -1.329 -1.356 1.00 0.00 C ATOM 1027 CG1 ILE A 66 8.055 -2.224 -1.167 1.00 0.00 C ATOM 1028 CG2 ILE A 66 5.705 -1.756 -0.424 1.00 0.00 C ATOM 1029 CD1 ILE A 66 7.739 -3.702 -1.227 1.00 0.00 C ATOM 0 H ILE A 66 8.225 -0.550 -3.301 1.00 0.00 H new ATOM 0 HA ILE A 66 6.303 -2.410 -3.146 1.00 0.00 H new ATOM 0 HB ILE A 66 7.111 -0.305 -1.109 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.790 -1.987 -1.936 1.00 0.00 H new ATOM 0 HG13 ILE A 66 8.515 -1.998 -0.205 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.054 -1.721 0.608 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.858 -1.081 -0.543 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.396 -2.772 -0.668 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.655 -4.276 -1.085 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.027 -3.954 -0.441 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.307 -3.943 -2.198 1.00 0.00 H new ATOM 1041 N PHE A 67 4.883 0.535 -2.550 1.00 0.00 N ATOM 1042 CA PHE A 67 3.616 1.256 -2.594 1.00 0.00 C ATOM 1043 C PHE A 67 2.830 0.898 -3.852 1.00 0.00 C ATOM 1044 O PHE A 67 1.641 0.589 -3.787 1.00 0.00 O ATOM 1045 CB PHE A 67 3.862 2.765 -2.545 1.00 0.00 C ATOM 1046 CG PHE A 67 4.518 3.224 -1.274 1.00 0.00 C ATOM 1047 CD1 PHE A 67 3.812 3.248 -0.083 1.00 0.00 C ATOM 1048 CD2 PHE A 67 5.843 3.632 -1.271 1.00 0.00 C ATOM 1049 CE1 PHE A 67 4.413 3.670 1.087 1.00 0.00 C ATOM 1050 CE2 PHE A 67 6.450 4.055 -0.104 1.00 0.00 C ATOM 1051 CZ PHE A 67 5.734 4.074 1.077 1.00 0.00 C ATOM 0 H PHE A 67 5.673 1.090 -2.220 1.00 0.00 H new ATOM 0 HA PHE A 67 3.029 0.962 -1.724 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.487 3.051 -3.391 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.911 3.284 -2.662 1.00 0.00 H new ATOM 0 HD1 PHE A 67 2.779 2.933 -0.069 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.407 3.619 -2.192 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.851 3.684 2.009 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.483 4.370 -0.115 1.00 0.00 H new ATOM 0 HZ PHE A 67 6.206 4.404 1.991 1.00 0.00 H new ATOM 1061 N ASN A 68 3.504 0.942 -4.996 1.00 0.00 N ATOM 1062 CA ASN A 68 2.869 0.624 -6.270 1.00 0.00 C ATOM 1063 C ASN A 68 2.285 -0.785 -6.250 1.00 0.00 C ATOM 1064 O ASN A 68 1.114 -0.986 -6.571 1.00 0.00 O ATOM 1065 CB ASN A 68 3.878 0.754 -7.413 1.00 0.00 C ATOM 1066 CG ASN A 68 4.393 2.172 -7.572 1.00 0.00 C ATOM 1067 OD1 ASN A 68 3.845 2.960 -8.343 1.00 0.00 O ATOM 1068 ND2 ASN A 68 5.451 2.502 -6.841 1.00 0.00 N ATOM 0 H ASN A 68 4.490 1.195 -5.067 1.00 0.00 H new ATOM 0 HA ASN A 68 2.056 1.333 -6.429 1.00 0.00 H new ATOM 0 HB2 ASN A 68 4.718 0.084 -7.230 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.411 0.433 -8.344 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.842 3.442 -6.905 1.00 0.00 H new ATOM 0 HD22 ASN A 68 5.873 1.816 -6.215 1.00 0.00 H new ATOM 1075 N GLN A 69 3.110 -1.756 -5.870 1.00 0.00 N ATOM 1076 CA GLN A 69 2.675 -3.146 -5.808 1.00 0.00 C ATOM 1077 C GLN A 69 1.306 -3.259 -5.144 1.00 0.00 C ATOM 1078 O GLN A 69 0.462 -4.047 -5.571 1.00 0.00 O ATOM 1079 CB GLN A 69 3.697 -3.989 -5.044 1.00 0.00 C ATOM 1080 CG GLN A 69 5.129 -3.777 -5.508 1.00 0.00 C ATOM 1081 CD GLN A 69 5.993 -5.008 -5.317 1.00 0.00 C ATOM 1082 OE1 GLN A 69 5.511 -6.138 -5.402 1.00 0.00 O ATOM 1083 NE2 GLN A 69 7.278 -4.796 -5.057 1.00 0.00 N ATOM 0 H GLN A 69 4.082 -1.605 -5.601 1.00 0.00 H new ATOM 0 HA GLN A 69 2.596 -3.521 -6.828 1.00 0.00 H new ATOM 0 HB2 GLN A 69 3.629 -3.753 -3.982 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.441 -5.043 -5.153 1.00 0.00 H new ATOM 0 HG2 GLN A 69 5.128 -3.499 -6.562 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.565 -2.943 -4.958 1.00 0.00 H new ATOM 0 HE21 GLN A 69 7.635 -3.843 -4.995 1.00 0.00 H new ATOM 0 HE22 GLN A 69 7.908 -5.587 -4.919 1.00 0.00 H new ATOM 1092 N ILE A 70 1.095 -2.468 -4.098 1.00 0.00 N ATOM 1093 CA ILE A 70 -0.171 -2.480 -3.376 1.00 0.00 C ATOM 1094 C ILE A 70 -1.273 -1.805 -4.187 1.00 0.00 C ATOM 1095 O ILE A 70 -2.418 -2.257 -4.195 1.00 0.00 O ATOM 1096 CB ILE A 70 -0.048 -1.775 -2.012 1.00 0.00 C ATOM 1097 CG1 ILE A 70 1.185 -2.282 -1.261 1.00 0.00 C ATOM 1098 CG2 ILE A 70 -1.306 -1.996 -1.186 1.00 0.00 C ATOM 1099 CD1 ILE A 70 1.656 -1.345 -0.171 1.00 0.00 C ATOM 0 H ILE A 70 1.784 -1.811 -3.732 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.431 -3.526 -3.213 1.00 0.00 H new ATOM 0 HB ILE A 70 0.068 -0.705 -2.182 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.959 -3.253 -0.821 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.996 -2.436 -1.973 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.204 -1.492 -0.225 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.167 -1.591 -1.718 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.450 -3.064 -1.022 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.533 -1.768 0.319 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.914 -0.380 -0.607 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.861 -1.211 0.562 1.00 0.00 H new ATOM 1111 N LEU A 71 -0.918 -0.721 -4.869 1.00 0.00 N ATOM 1112 CA LEU A 71 -1.876 0.016 -5.685 1.00 0.00 C ATOM 1113 C LEU A 71 -2.329 -0.817 -6.880 1.00 0.00 C ATOM 1114 O LEU A 71 -3.388 -0.569 -7.455 1.00 0.00 O ATOM 1115 CB LEU A 71 -1.258 1.329 -6.170 1.00 0.00 C ATOM 1116 CG LEU A 71 -2.171 2.235 -6.998 1.00 0.00 C ATOM 1117 CD1 LEU A 71 -2.952 3.175 -6.093 1.00 0.00 C ATOM 1118 CD2 LEU A 71 -1.359 3.023 -8.016 1.00 0.00 C ATOM 0 H LEU A 71 0.026 -0.334 -4.873 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.747 0.236 -5.068 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.915 1.889 -5.300 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.376 1.094 -6.765 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.882 1.609 -7.537 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.596 3.812 -6.699 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.563 2.592 -5.404 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.257 3.795 -5.527 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.025 3.662 -8.596 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.625 3.640 -7.497 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.845 2.332 -8.685 1.00 0.00 H new ATOM 1130 N GLN A 72 -1.520 -1.807 -7.245 1.00 0.00 N ATOM 1131 CA GLN A 72 -1.839 -2.678 -8.370 1.00 0.00 C ATOM 1132 C GLN A 72 -3.080 -3.515 -8.076 1.00 0.00 C ATOM 1133 O GLN A 72 -3.577 -4.234 -8.943 1.00 0.00 O ATOM 1134 CB GLN A 72 -0.655 -3.593 -8.686 1.00 0.00 C ATOM 1135 CG GLN A 72 0.602 -2.842 -9.095 1.00 0.00 C ATOM 1136 CD GLN A 72 0.630 -2.516 -10.575 1.00 0.00 C ATOM 1137 OE1 GLN A 72 -0.414 -2.350 -11.207 1.00 0.00 O ATOM 1138 NE2 GLN A 72 1.829 -2.422 -11.138 1.00 0.00 N ATOM 0 H GLN A 72 -0.640 -2.026 -6.778 1.00 0.00 H new ATOM 0 HA GLN A 72 -2.044 -2.049 -9.237 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.435 -4.204 -7.810 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -0.938 -4.275 -9.488 1.00 0.00 H new ATOM 0 HG2 GLN A 72 0.671 -1.918 -8.522 1.00 0.00 H new ATOM 0 HG3 GLN A 72 1.477 -3.441 -8.842 1.00 0.00 H new ATOM 0 HE21 GLN A 72 2.669 -2.567 -10.577 1.00 0.00 H new ATOM 0 HE22 GLN A 72 1.910 -2.205 -12.131 1.00 0.00 H new ATOM 1147 N THR A 73 -3.576 -3.417 -6.846 1.00 0.00 N ATOM 1148 CA THR A 73 -4.757 -4.166 -6.437 1.00 0.00 C ATOM 1149 C THR A 73 -5.984 -3.263 -6.368 1.00 0.00 C ATOM 1150 O THR A 73 -7.118 -3.740 -6.388 1.00 0.00 O ATOM 1151 CB THR A 73 -4.550 -4.836 -5.065 1.00 0.00 C ATOM 1152 OG1 THR A 73 -4.795 -3.893 -4.016 1.00 0.00 O ATOM 1153 CG2 THR A 73 -3.137 -5.386 -4.940 1.00 0.00 C ATOM 0 H THR A 73 -3.178 -2.826 -6.116 1.00 0.00 H new ATOM 0 HA THR A 73 -4.918 -4.938 -7.190 1.00 0.00 H new ATOM 0 HB THR A 73 -5.254 -5.663 -4.980 1.00 0.00 H new ATOM 0 HG1 THR A 73 -4.047 -3.262 -3.962 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.014 -5.854 -3.963 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.964 -6.126 -5.722 1.00 0.00 H new ATOM 0 HG23 THR A 73 -2.419 -4.572 -5.045 1.00 0.00 H new ATOM 1161 N MET A 74 -5.748 -1.958 -6.287 1.00 0.00 N ATOM 1162 CA MET A 74 -6.836 -0.989 -6.217 1.00 0.00 C ATOM 1163 C MET A 74 -6.578 0.186 -7.155 1.00 0.00 C ATOM 1164 O MET A 74 -6.762 1.350 -6.797 1.00 0.00 O ATOM 1165 CB MET A 74 -7.006 -0.483 -4.783 1.00 0.00 C ATOM 1166 CG MET A 74 -5.691 -0.304 -4.042 1.00 0.00 C ATOM 1167 SD MET A 74 -5.925 0.147 -2.312 1.00 0.00 S ATOM 1168 CE MET A 74 -5.243 -1.292 -1.491 1.00 0.00 C ATOM 0 H MET A 74 -4.815 -1.547 -6.268 1.00 0.00 H new ATOM 0 HA MET A 74 -7.753 -1.487 -6.530 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.535 0.470 -4.803 1.00 0.00 H new ATOM 0 HB3 MET A 74 -7.632 -1.184 -4.231 1.00 0.00 H new ATOM 0 HG2 MET A 74 -5.118 -1.230 -4.098 1.00 0.00 H new ATOM 0 HG3 MET A 74 -5.101 0.467 -4.538 1.00 0.00 H new ATOM 0 HE1 MET A 74 -4.808 -0.995 -0.537 1.00 0.00 H new ATOM 0 HE2 MET A 74 -6.034 -2.021 -1.318 1.00 0.00 H new ATOM 0 HE3 MET A 74 -4.471 -1.737 -2.118 1.00 0.00 H new ATOM 1178 N PRO A 75 -6.141 -0.122 -8.385 1.00 0.00 N ATOM 1179 CA PRO A 75 -5.849 0.895 -9.400 1.00 0.00 C ATOM 1180 C PRO A 75 -7.110 1.580 -9.913 1.00 0.00 C ATOM 1181 O PRO A 75 -7.039 2.506 -10.721 1.00 0.00 O ATOM 1182 CB PRO A 75 -5.180 0.095 -10.521 1.00 0.00 C ATOM 1183 CG PRO A 75 -5.698 -1.292 -10.358 1.00 0.00 C ATOM 1184 CD PRO A 75 -5.899 -1.488 -8.880 1.00 0.00 C ATOM 0 HA PRO A 75 -5.230 1.700 -9.005 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -5.433 0.499 -11.501 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.094 0.125 -10.435 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -6.634 -1.425 -10.900 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -4.993 -2.021 -10.756 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -6.743 -2.146 -8.673 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -5.023 -1.936 -8.411 1.00 0.00 H new ATOM 1192 N ASP A 76 -8.263 1.120 -9.439 1.00 0.00 N ATOM 1193 CA ASP A 76 -9.540 1.691 -9.850 1.00 0.00 C ATOM 1194 C ASP A 76 -10.408 2.009 -8.636 1.00 0.00 C ATOM 1195 O ASP A 76 -11.499 2.566 -8.770 1.00 0.00 O ATOM 1196 CB ASP A 76 -10.278 0.727 -10.781 1.00 0.00 C ATOM 1197 CG ASP A 76 -10.119 -0.721 -10.360 1.00 0.00 C ATOM 1198 OD1 ASP A 76 -9.909 -0.968 -9.154 1.00 0.00 O ATOM 1199 OD2 ASP A 76 -10.203 -1.607 -11.236 1.00 0.00 O ATOM 0 H ASP A 76 -8.339 0.354 -8.770 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.340 2.619 -10.385 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.337 0.983 -10.798 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -9.904 0.850 -11.797 1.00 0.00 H new ATOM 1204 N ILE A 77 -9.918 1.651 -7.454 1.00 0.00 N ATOM 1205 CA ILE A 77 -10.649 1.899 -6.218 1.00 0.00 C ATOM 1206 C ILE A 77 -9.829 2.752 -5.256 1.00 0.00 C ATOM 1207 O ILE A 77 -10.368 3.343 -4.321 1.00 0.00 O ATOM 1208 CB ILE A 77 -11.034 0.582 -5.518 1.00 0.00 C ATOM 1209 CG1 ILE A 77 -11.107 0.786 -4.003 1.00 0.00 C ATOM 1210 CG2 ILE A 77 -10.035 -0.513 -5.862 1.00 0.00 C ATOM 1211 CD1 ILE A 77 -11.516 -0.457 -3.245 1.00 0.00 C ATOM 0 H ILE A 77 -9.018 1.188 -7.326 1.00 0.00 H new ATOM 0 HA ILE A 77 -11.558 2.435 -6.491 1.00 0.00 H new ATOM 0 HB ILE A 77 -12.018 0.274 -5.872 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -10.134 1.118 -3.642 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -11.817 1.584 -3.786 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -10.321 -1.437 -5.360 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -10.028 -0.673 -6.940 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -9.040 -0.214 -5.533 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -11.547 -0.239 -2.178 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -12.503 -0.778 -3.578 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -10.794 -1.251 -3.432 1.00 0.00 H new ATOM 1223 N ALA A 78 -8.523 2.812 -5.493 1.00 0.00 N ATOM 1224 CA ALA A 78 -7.628 3.596 -4.651 1.00 0.00 C ATOM 1225 C ALA A 78 -6.541 4.269 -5.481 1.00 0.00 C ATOM 1226 O ALA A 78 -6.138 3.759 -6.527 1.00 0.00 O ATOM 1227 CB ALA A 78 -7.006 2.714 -3.578 1.00 0.00 C ATOM 0 H ALA A 78 -8.061 2.327 -6.262 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.215 4.377 -4.169 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.340 3.312 -2.956 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.793 2.285 -2.958 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.439 1.912 -4.050 1.00 0.00 H new ATOM 1233 N THR A 79 -6.070 5.420 -5.010 1.00 0.00 N ATOM 1234 CA THR A 79 -5.031 6.164 -5.710 1.00 0.00 C ATOM 1235 C THR A 79 -4.055 6.802 -4.728 1.00 0.00 C ATOM 1236 O THR A 79 -4.422 7.135 -3.601 1.00 0.00 O ATOM 1237 CB THR A 79 -5.633 7.263 -6.606 1.00 0.00 C ATOM 1238 OG1 THR A 79 -4.736 7.567 -7.679 1.00 0.00 O ATOM 1239 CG2 THR A 79 -5.914 8.523 -5.801 1.00 0.00 C ATOM 0 H THR A 79 -6.392 5.857 -4.146 1.00 0.00 H new ATOM 0 HA THR A 79 -4.497 5.448 -6.335 1.00 0.00 H new ATOM 0 HB THR A 79 -6.574 6.893 -7.014 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.127 8.265 -8.245 1.00 0.00 H new ATOM 0 HG21 THR A 79 -6.339 9.285 -6.454 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.620 8.295 -5.003 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.985 8.893 -5.368 1.00 0.00 H new ATOM 1247 N PHE A 80 -2.811 6.971 -5.163 1.00 0.00 N ATOM 1248 CA PHE A 80 -1.782 7.570 -4.321 1.00 0.00 C ATOM 1249 C PHE A 80 -2.242 8.919 -3.775 1.00 0.00 C ATOM 1250 O PHE A 80 -2.137 9.943 -4.450 1.00 0.00 O ATOM 1251 CB PHE A 80 -0.483 7.744 -5.112 1.00 0.00 C ATOM 1252 CG PHE A 80 0.464 6.588 -4.971 1.00 0.00 C ATOM 1253 CD1 PHE A 80 0.098 5.320 -5.392 1.00 0.00 C ATOM 1254 CD2 PHE A 80 1.721 6.768 -4.417 1.00 0.00 C ATOM 1255 CE1 PHE A 80 0.968 4.253 -5.263 1.00 0.00 C ATOM 1256 CE2 PHE A 80 2.596 5.706 -4.285 1.00 0.00 C ATOM 1257 CZ PHE A 80 2.219 4.447 -4.710 1.00 0.00 C ATOM 0 H PHE A 80 -2.491 6.702 -6.093 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.601 6.900 -3.480 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.724 7.879 -6.166 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.016 8.655 -4.780 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -0.878 5.163 -5.826 1.00 0.00 H new ATOM 0 HD2 PHE A 80 2.021 7.751 -4.084 1.00 0.00 H new ATOM 0 HE1 PHE A 80 0.670 3.269 -5.594 1.00 0.00 H new ATOM 0 HE2 PHE A 80 3.573 5.860 -3.850 1.00 0.00 H new ATOM 0 HZ PHE A 80 2.901 3.616 -4.610 1.00 0.00 H new ATOM 1267 N SER A 81 -2.754 8.910 -2.548 1.00 0.00 N ATOM 1268 CA SER A 81 -3.235 10.131 -1.912 1.00 0.00 C ATOM 1269 C SER A 81 -2.071 11.044 -1.539 1.00 0.00 C ATOM 1270 O SER A 81 -2.006 12.194 -1.975 1.00 0.00 O ATOM 1271 CB SER A 81 -4.053 9.792 -0.664 1.00 0.00 C ATOM 1272 OG SER A 81 -4.377 10.963 0.066 1.00 0.00 O ATOM 0 H SER A 81 -2.846 8.071 -1.975 1.00 0.00 H new ATOM 0 HA SER A 81 -3.872 10.656 -2.624 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.968 9.275 -0.954 1.00 0.00 H new ATOM 0 HB3 SER A 81 -3.489 9.109 -0.030 1.00 0.00 H new ATOM 0 HG SER A 81 -4.901 10.720 0.858 1.00 0.00 H new ATOM 1278 N SER A 82 -1.154 10.524 -0.730 1.00 0.00 N ATOM 1279 CA SER A 82 0.006 11.292 -0.294 1.00 0.00 C ATOM 1280 C SER A 82 1.302 10.599 -0.702 1.00 0.00 C ATOM 1281 O SER A 82 1.760 9.672 -0.033 1.00 0.00 O ATOM 1282 CB SER A 82 -0.026 11.487 1.223 1.00 0.00 C ATOM 1283 OG SER A 82 -1.082 12.351 1.605 1.00 0.00 O ATOM 0 H SER A 82 -1.192 9.573 -0.363 1.00 0.00 H new ATOM 0 HA SER A 82 -0.032 12.267 -0.780 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.146 10.521 1.714 1.00 0.00 H new ATOM 0 HB3 SER A 82 0.925 11.899 1.560 1.00 0.00 H new ATOM 0 HG SER A 82 -1.081 12.458 2.579 1.00 0.00 H new ATOM 1289 N ARG A 83 1.887 11.054 -1.805 1.00 0.00 N ATOM 1290 CA ARG A 83 3.129 10.477 -2.305 1.00 0.00 C ATOM 1291 C ARG A 83 4.040 10.066 -1.152 1.00 0.00 C ATOM 1292 O ARG A 83 4.185 10.779 -0.159 1.00 0.00 O ATOM 1293 CB ARG A 83 3.853 11.476 -3.209 1.00 0.00 C ATOM 1294 CG ARG A 83 3.466 11.362 -4.675 1.00 0.00 C ATOM 1295 CD ARG A 83 3.570 12.703 -5.384 1.00 0.00 C ATOM 1296 NE ARG A 83 4.958 13.115 -5.577 1.00 0.00 N ATOM 1297 CZ ARG A 83 5.314 14.210 -6.238 1.00 0.00 C ATOM 1298 NH1 ARG A 83 4.390 14.999 -6.768 1.00 0.00 N ATOM 1299 NH2 ARG A 83 6.598 14.518 -6.371 1.00 0.00 N ATOM 0 H ARG A 83 1.521 11.821 -2.370 1.00 0.00 H new ATOM 0 HA ARG A 83 2.880 9.588 -2.884 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.639 12.487 -2.863 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.928 11.327 -3.113 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.114 10.637 -5.168 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.446 10.985 -4.755 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.073 12.641 -6.352 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.044 13.461 -4.804 1.00 0.00 H new ATOM 0 HE ARG A 83 5.694 12.529 -5.182 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.402 14.766 -6.669 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.667 15.840 -7.275 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.312 13.913 -5.965 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.871 15.359 -6.879 1.00 0.00 H new ATOM 1313 N PRO A 84 4.668 8.889 -1.284 1.00 0.00 N ATOM 1314 CA PRO A 84 5.576 8.356 -0.263 1.00 0.00 C ATOM 1315 C PRO A 84 6.874 9.150 -0.171 1.00 0.00 C ATOM 1316 O PRO A 84 7.864 8.819 -0.825 1.00 0.00 O ATOM 1317 CB PRO A 84 5.853 6.930 -0.745 1.00 0.00 C ATOM 1318 CG PRO A 84 5.635 6.978 -2.218 1.00 0.00 C ATOM 1319 CD PRO A 84 4.542 7.986 -2.441 1.00 0.00 C ATOM 0 HA PRO A 84 5.142 8.406 0.736 1.00 0.00 H new ATOM 0 HB2 PRO A 84 6.871 6.622 -0.505 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.183 6.214 -0.269 1.00 0.00 H new ATOM 0 HG2 PRO A 84 6.547 7.270 -2.738 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.348 5.999 -2.602 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.673 8.519 -3.383 1.00 0.00 H new ATOM 0 HD3 PRO A 84 3.561 7.513 -2.476 1.00 0.00 H new ATOM 1327 N LYS A 85 6.865 10.198 0.645 1.00 0.00 N ATOM 1328 CA LYS A 85 8.042 11.039 0.824 1.00 0.00 C ATOM 1329 C LYS A 85 8.836 10.608 2.054 1.00 0.00 C ATOM 1330 O LYS A 85 8.347 9.842 2.883 1.00 0.00 O ATOM 1331 CB LYS A 85 7.631 12.507 0.959 1.00 0.00 C ATOM 1332 CG LYS A 85 7.026 12.848 2.310 1.00 0.00 C ATOM 1333 CD LYS A 85 6.182 14.110 2.241 1.00 0.00 C ATOM 1334 CE LYS A 85 5.380 14.314 3.517 1.00 0.00 C ATOM 1335 NZ LYS A 85 4.674 15.625 3.525 1.00 0.00 N ATOM 0 H LYS A 85 6.055 10.485 1.194 1.00 0.00 H new ATOM 0 HA LYS A 85 8.676 10.925 -0.056 1.00 0.00 H new ATOM 0 HB2 LYS A 85 8.505 13.137 0.792 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.911 12.747 0.177 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.411 12.017 2.655 1.00 0.00 H new ATOM 0 HG3 LYS A 85 7.822 12.981 3.043 1.00 0.00 H new ATOM 0 HD2 LYS A 85 6.828 14.972 2.074 1.00 0.00 H new ATOM 0 HD3 LYS A 85 5.504 14.050 1.390 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.652 13.509 3.621 1.00 0.00 H new ATOM 0 HE3 LYS A 85 6.046 14.255 4.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.139 15.726 4.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.370 16.394 3.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 4.019 15.672 2.718 1.00 0.00 H new ATOM 1349 N ALA A 86 10.063 11.107 2.165 1.00 0.00 N ATOM 1350 CA ALA A 86 10.922 10.776 3.295 1.00 0.00 C ATOM 1351 C ALA A 86 10.405 11.409 4.582 1.00 0.00 C ATOM 1352 O ALA A 86 10.073 12.594 4.613 1.00 0.00 O ATOM 1353 CB ALA A 86 12.350 11.225 3.021 1.00 0.00 C ATOM 0 H ALA A 86 10.484 11.742 1.486 1.00 0.00 H new ATOM 0 HA ALA A 86 10.911 9.694 3.423 1.00 0.00 H new ATOM 0 HB1 ALA A 86 12.981 10.972 3.873 1.00 0.00 H new ATOM 0 HB2 ALA A 86 12.725 10.722 2.130 1.00 0.00 H new ATOM 0 HB3 ALA A 86 12.368 12.303 2.864 1.00 0.00 H new ATOM 1359 N ILE A 87 10.338 10.611 5.643 1.00 0.00 N ATOM 1360 CA ILE A 87 9.861 11.094 6.933 1.00 0.00 C ATOM 1361 C ILE A 87 10.912 10.889 8.019 1.00 0.00 C ATOM 1362 O ILE A 87 11.874 10.144 7.833 1.00 0.00 O ATOM 1363 CB ILE A 87 8.560 10.385 7.353 1.00 0.00 C ATOM 1364 CG1 ILE A 87 8.784 8.875 7.450 1.00 0.00 C ATOM 1365 CG2 ILE A 87 7.444 10.698 6.366 1.00 0.00 C ATOM 1366 CD1 ILE A 87 7.865 8.189 8.436 1.00 0.00 C ATOM 0 H ILE A 87 10.608 9.627 5.634 1.00 0.00 H new ATOM 0 HA ILE A 87 9.664 12.160 6.818 1.00 0.00 H new ATOM 0 HB ILE A 87 8.264 10.753 8.335 1.00 0.00 H new ATOM 0 HG12 ILE A 87 8.642 8.431 6.465 1.00 0.00 H new ATOM 0 HG13 ILE A 87 9.818 8.687 7.739 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.531 10.190 6.676 1.00 0.00 H new ATOM 0 HG22 ILE A 87 7.270 11.774 6.342 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.731 10.355 5.372 1.00 0.00 H new ATOM 0 HD11 ILE A 87 8.081 7.121 8.452 1.00 0.00 H new ATOM 0 HD12 ILE A 87 8.022 8.606 9.431 1.00 0.00 H new ATOM 0 HD13 ILE A 87 6.829 8.345 8.137 1.00 0.00 H new ATOM 1378 N ARG A 88 10.719 11.554 9.153 1.00 0.00 N ATOM 1379 CA ARG A 88 11.649 11.444 10.270 1.00 0.00 C ATOM 1380 C ARG A 88 13.088 11.348 9.772 1.00 0.00 C ATOM 1381 O ARG A 88 13.824 10.433 10.140 1.00 0.00 O ATOM 1382 CB ARG A 88 11.312 10.222 11.126 1.00 0.00 C ATOM 1383 CG ARG A 88 11.321 8.915 10.350 1.00 0.00 C ATOM 1384 CD ARG A 88 11.204 7.716 11.278 1.00 0.00 C ATOM 1385 NE ARG A 88 11.755 6.503 10.678 1.00 0.00 N ATOM 1386 CZ ARG A 88 11.726 5.313 11.267 1.00 0.00 C ATOM 1387 NH1 ARG A 88 11.176 5.176 12.466 1.00 0.00 N ATOM 1388 NH2 ARG A 88 12.248 4.257 10.657 1.00 0.00 N ATOM 0 H ARG A 88 9.927 12.174 9.322 1.00 0.00 H new ATOM 0 HA ARG A 88 11.552 12.343 10.879 1.00 0.00 H new ATOM 0 HB2 ARG A 88 12.028 10.154 11.945 1.00 0.00 H new ATOM 0 HB3 ARG A 88 10.328 10.362 11.574 1.00 0.00 H new ATOM 0 HG2 ARG A 88 10.496 8.907 9.638 1.00 0.00 H new ATOM 0 HG3 ARG A 88 12.242 8.840 9.771 1.00 0.00 H new ATOM 0 HD2 ARG A 88 11.726 7.928 12.211 1.00 0.00 H new ATOM 0 HD3 ARG A 88 10.156 7.553 11.529 1.00 0.00 H new ATOM 0 HE ARG A 88 12.186 6.574 9.756 1.00 0.00 H new ATOM 0 HH11 ARG A 88 10.774 5.986 12.938 1.00 0.00 H new ATOM 0 HH12 ARG A 88 11.155 4.261 12.916 1.00 0.00 H new ATOM 0 HH21 ARG A 88 12.672 4.359 9.735 1.00 0.00 H new ATOM 0 HH22 ARG A 88 12.225 3.343 11.110 1.00 0.00 H new ATOM 1402 N GLY A 89 13.483 12.299 8.931 1.00 0.00 N ATOM 1403 CA GLY A 89 14.832 12.303 8.395 1.00 0.00 C ATOM 1404 C GLY A 89 14.897 11.751 6.985 1.00 0.00 C ATOM 1405 O GLY A 89 15.524 12.342 6.107 1.00 0.00 O ATOM 0 H GLY A 89 12.893 13.067 8.611 1.00 0.00 H new ATOM 0 HA2 GLY A 89 15.219 13.322 8.401 1.00 0.00 H new ATOM 0 HA3 GLY A 89 15.479 11.712 9.043 1.00 0.00 H new ATOM 1409 N GLY A 90 14.248 10.611 6.767 1.00 0.00 N ATOM 1410 CA GLY A 90 14.249 9.996 5.452 1.00 0.00 C ATOM 1411 C GLY A 90 14.516 8.505 5.509 1.00 0.00 C ATOM 1412 O GLY A 90 14.355 7.799 4.513 1.00 0.00 O ATOM 0 H GLY A 90 13.722 10.102 7.477 1.00 0.00 H new ATOM 0 HA2 GLY A 90 13.286 10.171 4.972 1.00 0.00 H new ATOM 0 HA3 GLY A 90 15.007 10.474 4.831 1.00 0.00 H new ATOM 1416 N THR A 91 14.927 8.023 6.678 1.00 0.00 N ATOM 1417 CA THR A 91 15.219 6.607 6.860 1.00 0.00 C ATOM 1418 C THR A 91 14.032 5.743 6.450 1.00 0.00 C ATOM 1419 O THR A 91 14.198 4.712 5.800 1.00 0.00 O ATOM 1420 CB THR A 91 15.587 6.293 8.323 1.00 0.00 C ATOM 1421 OG1 THR A 91 14.603 6.845 9.205 1.00 0.00 O ATOM 1422 CG2 THR A 91 16.958 6.855 8.668 1.00 0.00 C ATOM 0 H THR A 91 15.065 8.593 7.513 1.00 0.00 H new ATOM 0 HA THR A 91 16.071 6.376 6.221 1.00 0.00 H new ATOM 0 HB THR A 91 15.615 5.210 8.444 1.00 0.00 H new ATOM 0 HG1 THR A 91 14.843 6.640 10.133 1.00 0.00 H new ATOM 0 HG21 THR A 91 17.196 6.621 9.706 1.00 0.00 H new ATOM 0 HG22 THR A 91 17.708 6.411 8.014 1.00 0.00 H new ATOM 0 HG23 THR A 91 16.953 7.936 8.532 1.00 0.00 H new ATOM 1430 N ALA A 92 12.834 6.171 6.834 1.00 0.00 N ATOM 1431 CA ALA A 92 11.619 5.437 6.504 1.00 0.00 C ATOM 1432 C ALA A 92 10.724 6.248 5.572 1.00 0.00 C ATOM 1433 O ALA A 92 10.904 7.456 5.419 1.00 0.00 O ATOM 1434 CB ALA A 92 10.865 5.067 7.773 1.00 0.00 C ATOM 0 H ALA A 92 12.679 7.022 7.374 1.00 0.00 H new ATOM 0 HA ALA A 92 11.906 4.522 5.985 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.960 4.519 7.512 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.498 4.442 8.403 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.597 5.974 8.314 1.00 0.00 H new ATOM 1440 N SER A 93 9.760 5.576 4.952 1.00 0.00 N ATOM 1441 CA SER A 93 8.840 6.233 4.031 1.00 0.00 C ATOM 1442 C SER A 93 7.435 6.300 4.622 1.00 0.00 C ATOM 1443 O SER A 93 7.094 5.538 5.526 1.00 0.00 O ATOM 1444 CB SER A 93 8.808 5.492 2.693 1.00 0.00 C ATOM 1445 OG SER A 93 8.534 6.382 1.624 1.00 0.00 O ATOM 0 H SER A 93 9.595 4.576 5.071 1.00 0.00 H new ATOM 0 HA SER A 93 9.195 7.250 3.866 1.00 0.00 H new ATOM 0 HB2 SER A 93 9.765 4.999 2.524 1.00 0.00 H new ATOM 0 HB3 SER A 93 8.048 4.711 2.724 1.00 0.00 H new ATOM 0 HG SER A 93 8.520 5.885 0.780 1.00 0.00 H new ATOM 1451 N MET A 94 6.626 7.218 4.105 1.00 0.00 N ATOM 1452 CA MET A 94 5.257 7.385 4.580 1.00 0.00 C ATOM 1453 C MET A 94 4.346 7.868 3.456 1.00 0.00 C ATOM 1454 O MET A 94 4.574 8.928 2.872 1.00 0.00 O ATOM 1455 CB MET A 94 5.216 8.374 5.746 1.00 0.00 C ATOM 1456 CG MET A 94 3.962 8.260 6.597 1.00 0.00 C ATOM 1457 SD MET A 94 3.514 9.818 7.387 1.00 0.00 S ATOM 1458 CE MET A 94 2.693 10.659 6.036 1.00 0.00 C ATOM 0 H MET A 94 6.894 7.858 3.357 1.00 0.00 H new ATOM 0 HA MET A 94 4.898 6.415 4.923 1.00 0.00 H new ATOM 0 HB2 MET A 94 6.090 8.214 6.378 1.00 0.00 H new ATOM 0 HB3 MET A 94 5.288 9.388 5.354 1.00 0.00 H new ATOM 0 HG2 MET A 94 3.134 7.922 5.974 1.00 0.00 H new ATOM 0 HG3 MET A 94 4.115 7.500 7.363 1.00 0.00 H new ATOM 0 HE1 MET A 94 2.357 11.641 6.369 1.00 0.00 H new ATOM 0 HE2 MET A 94 3.388 10.776 5.204 1.00 0.00 H new ATOM 0 HE3 MET A 94 1.834 10.073 5.711 1.00 0.00 H new ATOM 1468 N CYS A 95 3.315 7.085 3.158 1.00 0.00 N ATOM 1469 CA CYS A 95 2.371 7.433 2.103 1.00 0.00 C ATOM 1470 C CYS A 95 0.939 7.125 2.531 1.00 0.00 C ATOM 1471 O CYS A 95 0.708 6.302 3.416 1.00 0.00 O ATOM 1472 CB CYS A 95 2.706 6.673 0.818 1.00 0.00 C ATOM 1473 SG CYS A 95 1.319 6.519 -0.332 1.00 0.00 S ATOM 0 H CYS A 95 3.112 6.205 3.632 1.00 0.00 H new ATOM 0 HA CYS A 95 2.453 8.504 1.915 1.00 0.00 H new ATOM 0 HB2 CYS A 95 3.528 7.180 0.313 1.00 0.00 H new ATOM 0 HB3 CYS A 95 3.059 5.676 1.080 1.00 0.00 H new ATOM 0 HG CYS A 95 0.780 5.343 -0.206 1.00 0.00 H new ATOM 1479 N VAL A 96 -0.019 7.794 1.897 1.00 0.00 N ATOM 1480 CA VAL A 96 -1.428 7.593 2.213 1.00 0.00 C ATOM 1481 C VAL A 96 -2.213 7.166 0.977 1.00 0.00 C ATOM 1482 O VAL A 96 -1.899 7.573 -0.142 1.00 0.00 O ATOM 1483 CB VAL A 96 -2.061 8.872 2.793 1.00 0.00 C ATOM 1484 CG1 VAL A 96 -3.490 8.604 3.240 1.00 0.00 C ATOM 1485 CG2 VAL A 96 -1.224 9.405 3.946 1.00 0.00 C ATOM 0 H VAL A 96 0.155 8.479 1.162 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.475 6.802 2.961 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.086 9.631 2.011 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -3.921 9.518 3.647 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.082 8.272 2.387 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.492 7.829 4.007 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.686 10.309 4.344 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.165 8.652 4.732 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.220 9.637 3.590 1.00 0.00 H new ATOM 1495 N PHE A 97 -3.235 6.343 1.187 1.00 0.00 N ATOM 1496 CA PHE A 97 -4.065 5.860 0.090 1.00 0.00 C ATOM 1497 C PHE A 97 -5.510 6.321 0.258 1.00 0.00 C ATOM 1498 O PHE A 97 -6.065 6.274 1.356 1.00 0.00 O ATOM 1499 CB PHE A 97 -4.011 4.333 0.016 1.00 0.00 C ATOM 1500 CG PHE A 97 -2.715 3.805 -0.531 1.00 0.00 C ATOM 1501 CD1 PHE A 97 -1.545 3.908 0.204 1.00 0.00 C ATOM 1502 CD2 PHE A 97 -2.667 3.206 -1.779 1.00 0.00 C ATOM 1503 CE1 PHE A 97 -0.351 3.425 -0.297 1.00 0.00 C ATOM 1504 CE2 PHE A 97 -1.476 2.720 -2.285 1.00 0.00 C ATOM 1505 CZ PHE A 97 -0.317 2.828 -1.542 1.00 0.00 C ATOM 0 H PHE A 97 -3.508 5.997 2.107 1.00 0.00 H new ATOM 0 HA PHE A 97 -3.675 6.276 -0.839 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -4.169 3.923 1.013 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.831 3.978 -0.608 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -1.566 4.371 1.179 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -3.571 3.118 -2.364 1.00 0.00 H new ATOM 0 HE1 PHE A 97 0.555 3.514 0.284 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -1.452 2.256 -3.260 1.00 0.00 H new ATOM 0 HZ PHE A 97 0.614 2.446 -1.934 1.00 0.00 H new ATOM 1515 N ARG A 98 -6.114 6.767 -0.839 1.00 0.00 N ATOM 1516 CA ARG A 98 -7.493 7.238 -0.814 1.00 0.00 C ATOM 1517 C ARG A 98 -8.281 6.676 -1.994 1.00 0.00 C ATOM 1518 O ARG A 98 -7.705 6.132 -2.936 1.00 0.00 O ATOM 1519 CB ARG A 98 -7.532 8.767 -0.844 1.00 0.00 C ATOM 1520 CG ARG A 98 -7.244 9.358 -2.214 1.00 0.00 C ATOM 1521 CD ARG A 98 -7.098 10.870 -2.149 1.00 0.00 C ATOM 1522 NE ARG A 98 -7.232 11.490 -3.465 1.00 0.00 N ATOM 1523 CZ ARG A 98 -8.400 11.703 -4.061 1.00 0.00 C ATOM 1524 NH1 ARG A 98 -9.528 11.350 -3.461 1.00 0.00 N ATOM 1525 NH2 ARG A 98 -8.441 12.273 -5.259 1.00 0.00 N ATOM 0 H ARG A 98 -5.670 6.812 -1.756 1.00 0.00 H new ATOM 0 HA ARG A 98 -7.954 6.887 0.109 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -8.514 9.103 -0.512 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -6.805 9.154 -0.131 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -6.330 8.920 -2.616 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -8.050 9.098 -2.900 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -7.853 11.279 -1.477 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -6.125 11.122 -1.727 1.00 0.00 H new ATOM 0 HE ARG A 98 -6.383 11.775 -3.953 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -9.501 10.914 -2.539 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -10.423 11.515 -3.921 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -7.575 12.548 -5.723 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -9.338 12.436 -5.716 1.00 0.00 H new ATOM 1539 N HIS A 99 -9.602 6.811 -1.934 1.00 0.00 N ATOM 1540 CA HIS A 99 -10.470 6.316 -2.997 1.00 0.00 C ATOM 1541 C HIS A 99 -10.703 7.393 -4.053 1.00 0.00 C ATOM 1542 O HIS A 99 -10.892 8.565 -3.727 1.00 0.00 O ATOM 1543 CB HIS A 99 -11.807 5.853 -2.419 1.00 0.00 C ATOM 1544 CG HIS A 99 -12.699 5.193 -3.426 1.00 0.00 C ATOM 1545 ND1 HIS A 99 -13.026 5.771 -4.634 1.00 0.00 N ATOM 1546 CD2 HIS A 99 -13.331 3.997 -3.399 1.00 0.00 C ATOM 1547 CE1 HIS A 99 -13.822 4.959 -5.306 1.00 0.00 C ATOM 1548 NE2 HIS A 99 -14.023 3.875 -4.579 1.00 0.00 N ATOM 0 H HIS A 99 -10.095 7.259 -1.161 1.00 0.00 H new ATOM 0 HA HIS A 99 -9.976 5.468 -3.471 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -11.619 5.157 -1.601 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -12.326 6.712 -1.993 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -13.298 3.273 -2.598 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -14.238 5.149 -6.284 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -14.598 3.077 -4.850 1.00 0.00 H new