USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=19 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 Single : A 15 THR OG1 : rot 20:sc= 0.142 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= -0.533 X(o=-0.53,f=-0.53) USER MOD Single : A 26 GLN : amide:sc= -0.16 X(o=-0.16,f=-0.2) USER MOD Single : A 27 HIS : no HD1:sc= -0.297 X(o=-0.3,f=-0.02) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0099) USER MOD Single : A 33 SER OG : rot 180:sc= 0.0353 USER MOD Single : A 34 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.171) USER MOD Single : A 35 GLN : amide:sc= -0.0692 K(o=-0.069,f=-0.98) USER MOD Single : A 37 GLN : amide:sc=-0.000628 X(o=-0.00063,f=-0.031) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) 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 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 47 GLN :FLIP amide:sc= -1.48 F(o=-2.2,f=-1.5) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 28:sc= 0.393 USER MOD Single : A 68 ASN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 72 GLN : amide:sc= -0.0438 K(o=-0.044,f=-0.71) USER MOD Single : A 73 THR OG1 : rot -60:sc= 1.28 USER MOD Single : A 74 MET CE :methyl -110:sc= -2 (180deg=-9.13!) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0491 USER MOD Single : A 81 SER OG : rot -170:sc= 0 USER MOD Single : A 82 SER OG : 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 137:sc= -0.98 USER MOD Single : A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 CYS SG : rot -95:sc= -1.02! USER MOD Single : A 99 HIS : no HD1:sc= -0.232 K(o=-0.23,f=-0.96) USER MOD ----------------------------------------------------------------- ATOM 168 N THR A 15 -9.404 6.724 10.718 1.00 0.00 N ATOM 169 CA THR A 15 -8.122 6.653 10.028 1.00 0.00 C ATOM 170 C THR A 15 -7.323 5.434 10.476 1.00 0.00 C ATOM 171 O THR A 15 -6.896 5.347 11.627 1.00 0.00 O ATOM 172 CB THR A 15 -7.282 7.921 10.272 1.00 0.00 C ATOM 173 OG1 THR A 15 -8.060 9.087 9.981 1.00 0.00 O ATOM 174 CG2 THR A 15 -6.028 7.914 9.411 1.00 0.00 C ATOM 0 HA THR A 15 -8.340 6.570 8.963 1.00 0.00 H new ATOM 0 HB THR A 15 -6.983 7.936 11.320 1.00 0.00 H new ATOM 0 HG1 THR A 15 -9.013 8.860 10.008 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.451 8.819 9.601 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.424 7.041 9.656 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.309 7.877 8.359 1.00 0.00 H new ATOM 182 N LYS A 16 -7.123 4.494 9.558 1.00 0.00 N ATOM 183 CA LYS A 16 -6.374 3.280 9.857 1.00 0.00 C ATOM 184 C LYS A 16 -4.911 3.429 9.451 1.00 0.00 C ATOM 185 O LYS A 16 -4.605 3.978 8.393 1.00 0.00 O ATOM 186 CB LYS A 16 -6.995 2.082 9.136 1.00 0.00 C ATOM 187 CG LYS A 16 -8.468 1.882 9.445 1.00 0.00 C ATOM 188 CD LYS A 16 -8.669 1.202 10.788 1.00 0.00 C ATOM 189 CE LYS A 16 -10.110 1.316 11.261 1.00 0.00 C ATOM 190 NZ LYS A 16 -10.964 0.231 10.705 1.00 0.00 N ATOM 0 H LYS A 16 -7.470 4.550 8.600 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.419 3.112 10.933 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.873 2.213 8.061 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.449 1.180 9.412 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.975 2.847 9.445 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.927 1.281 8.660 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.393 0.150 10.709 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.006 1.651 11.527 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.139 1.279 12.350 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.514 2.284 10.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.938 0.344 11.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.957 0.282 9.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.594 -0.692 11.009 1.00 0.00 H new ATOM 204 N GLU A 17 -4.013 2.936 10.297 1.00 0.00 N ATOM 205 CA GLU A 17 -2.582 3.015 10.024 1.00 0.00 C ATOM 206 C GLU A 17 -1.991 1.625 9.812 1.00 0.00 C ATOM 207 O GLU A 17 -2.293 0.689 10.554 1.00 0.00 O ATOM 208 CB GLU A 17 -1.859 3.719 11.175 1.00 0.00 C ATOM 209 CG GLU A 17 -2.328 5.145 11.407 1.00 0.00 C ATOM 210 CD GLU A 17 -1.976 5.657 12.790 1.00 0.00 C ATOM 211 OE1 GLU A 17 -0.892 5.298 13.297 1.00 0.00 O ATOM 212 OE2 GLU A 17 -2.783 6.416 13.366 1.00 0.00 O ATOM 0 H GLU A 17 -4.250 2.478 11.177 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.444 3.593 9.110 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.004 3.144 12.090 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.788 3.726 10.970 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.880 5.797 10.657 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.408 5.195 11.269 1.00 0.00 H new ATOM 219 N LEU A 18 -1.149 1.496 8.793 1.00 0.00 N ATOM 220 CA LEU A 18 -0.515 0.220 8.481 1.00 0.00 C ATOM 221 C LEU A 18 1.005 0.350 8.487 1.00 0.00 C ATOM 222 O LEU A 18 1.560 1.286 7.912 1.00 0.00 O ATOM 223 CB LEU A 18 -0.989 -0.288 7.118 1.00 0.00 C ATOM 224 CG LEU A 18 -0.846 -1.791 6.874 1.00 0.00 C ATOM 225 CD1 LEU A 18 -2.081 -2.531 7.363 1.00 0.00 C ATOM 226 CD2 LEU A 18 -0.603 -2.071 5.398 1.00 0.00 C ATOM 0 H LEU A 18 -0.889 2.260 8.169 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.803 -0.497 9.250 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.038 -0.019 6.997 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.434 0.240 6.343 1.00 0.00 H new ATOM 0 HG LEU A 18 0.015 -2.151 7.438 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.961 -3.599 7.181 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.210 -2.357 8.431 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.958 -2.168 6.828 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.504 -3.145 5.243 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.443 -1.696 4.813 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.312 -1.572 5.079 1.00 0.00 H new ATOM 238 N VAL A 19 1.672 -0.595 9.141 1.00 0.00 N ATOM 239 CA VAL A 19 3.128 -0.588 9.220 1.00 0.00 C ATOM 240 C VAL A 19 3.698 -1.983 8.989 1.00 0.00 C ATOM 241 O VAL A 19 3.315 -2.941 9.661 1.00 0.00 O ATOM 242 CB VAL A 19 3.614 -0.066 10.585 1.00 0.00 C ATOM 243 CG1 VAL A 19 5.133 -0.007 10.625 1.00 0.00 C ATOM 244 CG2 VAL A 19 3.010 1.299 10.879 1.00 0.00 C ATOM 0 H VAL A 19 1.227 -1.376 9.624 1.00 0.00 H new ATOM 0 HA VAL A 19 3.484 0.081 8.436 1.00 0.00 H new ATOM 0 HB VAL A 19 3.282 -0.759 11.358 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.457 0.364 11.597 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.540 -1.005 10.463 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.492 0.662 9.843 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.364 1.653 11.847 1.00 0.00 H new ATOM 0 HG22 VAL A 19 3.309 2.004 10.104 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.923 1.220 10.897 1.00 0.00 H new ATOM 254 N PHE A 20 4.616 -2.091 8.034 1.00 0.00 N ATOM 255 CA PHE A 20 5.239 -3.369 7.714 1.00 0.00 C ATOM 256 C PHE A 20 6.635 -3.163 7.132 1.00 0.00 C ATOM 257 O PHE A 20 6.928 -2.119 6.550 1.00 0.00 O ATOM 258 CB PHE A 20 4.372 -4.150 6.724 1.00 0.00 C ATOM 259 CG PHE A 20 3.960 -3.346 5.524 1.00 0.00 C ATOM 260 CD1 PHE A 20 2.896 -2.462 5.598 1.00 0.00 C ATOM 261 CD2 PHE A 20 4.638 -3.474 4.322 1.00 0.00 C ATOM 262 CE1 PHE A 20 2.515 -1.721 4.495 1.00 0.00 C ATOM 263 CE2 PHE A 20 4.261 -2.736 3.216 1.00 0.00 C ATOM 264 CZ PHE A 20 3.199 -1.858 3.303 1.00 0.00 C ATOM 0 H PHE A 20 4.945 -1.308 7.468 1.00 0.00 H new ATOM 0 HA PHE A 20 5.330 -3.942 8.637 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.920 -5.031 6.390 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.479 -4.505 7.237 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.358 -2.350 6.528 1.00 0.00 H new ATOM 0 HD2 PHE A 20 5.470 -4.158 4.249 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.683 -1.036 4.565 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.797 -2.846 2.285 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.904 -1.279 2.440 1.00 0.00 H new ATOM 274 N SER A 21 7.491 -4.167 7.294 1.00 0.00 N ATOM 275 CA SER A 21 8.857 -4.095 6.790 1.00 0.00 C ATOM 276 C SER A 21 8.869 -3.975 5.269 1.00 0.00 C ATOM 277 O SER A 21 7.852 -4.190 4.610 1.00 0.00 O ATOM 278 CB SER A 21 9.649 -5.331 7.221 1.00 0.00 C ATOM 279 OG SER A 21 9.179 -6.494 6.561 1.00 0.00 O ATOM 0 H SER A 21 7.262 -5.040 7.770 1.00 0.00 H new ATOM 0 HA SER A 21 9.327 -3.206 7.212 1.00 0.00 H new ATOM 0 HB2 SER A 21 10.706 -5.185 6.999 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.565 -5.462 8.300 1.00 0.00 H new ATOM 0 HG SER A 21 9.702 -7.270 6.852 1.00 0.00 H new ATOM 285 N SER A 22 10.028 -3.631 4.717 1.00 0.00 N ATOM 286 CA SER A 22 10.173 -3.478 3.274 1.00 0.00 C ATOM 287 C SER A 22 10.480 -4.819 2.615 1.00 0.00 C ATOM 288 O SER A 22 10.153 -5.039 1.449 1.00 0.00 O ATOM 289 CB SER A 22 11.283 -2.474 2.955 1.00 0.00 C ATOM 290 OG SER A 22 11.886 -2.761 1.706 1.00 0.00 O ATOM 0 H SER A 22 10.881 -3.453 5.247 1.00 0.00 H new ATOM 0 HA SER A 22 9.230 -3.104 2.876 1.00 0.00 H new ATOM 0 HB2 SER A 22 10.872 -1.465 2.940 1.00 0.00 H new ATOM 0 HB3 SER A 22 12.038 -2.499 3.741 1.00 0.00 H new ATOM 0 HG SER A 22 12.591 -2.105 1.524 1.00 0.00 H new ATOM 296 N ASN A 23 11.111 -5.712 3.370 1.00 0.00 N ATOM 297 CA ASN A 23 11.464 -7.032 2.859 1.00 0.00 C ATOM 298 C ASN A 23 10.293 -8.001 3.001 1.00 0.00 C ATOM 299 O ASN A 23 10.484 -9.215 3.067 1.00 0.00 O ATOM 300 CB ASN A 23 12.685 -7.580 3.601 1.00 0.00 C ATOM 301 CG ASN A 23 13.254 -8.820 2.941 1.00 0.00 C ATOM 302 OD1 ASN A 23 13.703 -8.777 1.795 1.00 0.00 O ATOM 303 ND2 ASN A 23 13.238 -9.935 3.663 1.00 0.00 N ATOM 0 H ASN A 23 11.388 -5.546 4.337 1.00 0.00 H new ATOM 0 HA ASN A 23 11.705 -6.932 1.801 1.00 0.00 H new ATOM 0 HB2 ASN A 23 13.455 -6.810 3.646 1.00 0.00 H new ATOM 0 HB3 ASN A 23 12.407 -7.814 4.629 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.608 -10.801 3.272 1.00 0.00 H new ATOM 0 HD22 ASN A 23 12.856 -9.925 4.609 1.00 0.00 H new ATOM 310 N ILE A 24 9.083 -7.454 3.045 1.00 0.00 N ATOM 311 CA ILE A 24 7.882 -8.270 3.176 1.00 0.00 C ATOM 312 C ILE A 24 7.704 -9.185 1.970 1.00 0.00 C ATOM 313 O ILE A 24 7.742 -8.736 0.825 1.00 0.00 O ATOM 314 CB ILE A 24 6.623 -7.396 3.333 1.00 0.00 C ATOM 315 CG1 ILE A 24 5.378 -8.276 3.459 1.00 0.00 C ATOM 316 CG2 ILE A 24 6.488 -6.444 2.154 1.00 0.00 C ATOM 317 CD1 ILE A 24 4.271 -7.645 4.275 1.00 0.00 C ATOM 0 H ILE A 24 8.908 -6.450 2.992 1.00 0.00 H new ATOM 0 HA ILE A 24 8.009 -8.876 4.073 1.00 0.00 H new ATOM 0 HB ILE A 24 6.721 -6.804 4.243 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.000 -8.501 2.462 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.659 -9.225 3.915 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.594 -5.834 2.280 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.365 -5.798 2.106 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.409 -7.018 1.230 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.420 -8.325 4.322 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.632 -7.445 5.284 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.962 -6.710 3.808 1.00 0.00 H new ATOM 329 N GLY A 25 7.508 -10.473 2.235 1.00 0.00 N ATOM 330 CA GLY A 25 7.326 -11.432 1.161 1.00 0.00 C ATOM 331 C GLY A 25 6.035 -11.210 0.398 1.00 0.00 C ATOM 332 O GLY A 25 5.123 -10.547 0.891 1.00 0.00 O ATOM 0 H GLY A 25 7.472 -10.869 3.174 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.168 -11.365 0.472 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.332 -12.441 1.574 1.00 0.00 H new ATOM 336 N GLN A 26 5.959 -11.764 -0.807 1.00 0.00 N ATOM 337 CA GLN A 26 4.770 -11.621 -1.640 1.00 0.00 C ATOM 338 C GLN A 26 3.553 -12.243 -0.963 1.00 0.00 C ATOM 339 O GLN A 26 2.499 -11.615 -0.858 1.00 0.00 O ATOM 340 CB GLN A 26 4.997 -12.270 -3.006 1.00 0.00 C ATOM 341 CG GLN A 26 3.863 -12.030 -3.990 1.00 0.00 C ATOM 342 CD GLN A 26 3.635 -10.557 -4.269 1.00 0.00 C ATOM 343 OE1 GLN A 26 4.574 -9.816 -4.561 1.00 0.00 O ATOM 344 NE2 GLN A 26 2.383 -10.125 -4.180 1.00 0.00 N ATOM 0 H GLN A 26 6.706 -12.316 -1.229 1.00 0.00 H new ATOM 0 HA GLN A 26 4.581 -10.557 -1.779 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.924 -11.886 -3.432 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.129 -13.344 -2.871 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.084 -12.543 -4.926 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.946 -12.468 -3.596 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.636 -10.774 -3.935 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.168 -9.144 -4.357 1.00 0.00 H new ATOM 353 N HIS A 27 3.705 -13.482 -0.506 1.00 0.00 N ATOM 354 CA HIS A 27 2.618 -14.190 0.161 1.00 0.00 C ATOM 355 C HIS A 27 2.069 -13.370 1.324 1.00 0.00 C ATOM 356 O HIS A 27 0.892 -13.477 1.670 1.00 0.00 O ATOM 357 CB HIS A 27 3.101 -15.551 0.664 1.00 0.00 C ATOM 358 CG HIS A 27 2.106 -16.254 1.535 1.00 0.00 C ATOM 359 ND1 HIS A 27 1.229 -17.206 1.058 1.00 0.00 N ATOM 360 CD2 HIS A 27 1.853 -16.142 2.860 1.00 0.00 C ATOM 361 CE1 HIS A 27 0.478 -17.647 2.052 1.00 0.00 C ATOM 362 NE2 HIS A 27 0.838 -17.017 3.157 1.00 0.00 N ATOM 0 H HIS A 27 4.570 -14.016 -0.585 1.00 0.00 H new ATOM 0 HA HIS A 27 1.818 -14.342 -0.563 1.00 0.00 H new ATOM 0 HB2 HIS A 27 3.334 -16.184 -0.192 1.00 0.00 H new ATOM 0 HB3 HIS A 27 4.028 -15.415 1.221 1.00 0.00 H new ATOM 0 HD2 HIS A 27 2.356 -15.486 3.555 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -0.298 -18.395 1.975 1.00 0.00 H new ATOM 0 HE2 HIS A 27 0.428 -17.158 4.080 1.00 0.00 H new ATOM 371 N ASP A 28 2.928 -12.553 1.923 1.00 0.00 N ATOM 372 CA ASP A 28 2.528 -11.714 3.047 1.00 0.00 C ATOM 373 C ASP A 28 1.884 -10.421 2.558 1.00 0.00 C ATOM 374 O ASP A 28 0.686 -10.203 2.743 1.00 0.00 O ATOM 375 CB ASP A 28 3.738 -11.395 3.928 1.00 0.00 C ATOM 376 CG ASP A 28 4.525 -12.636 4.301 1.00 0.00 C ATOM 377 OD1 ASP A 28 4.017 -13.442 5.109 1.00 0.00 O ATOM 378 OD2 ASP A 28 5.650 -12.801 3.785 1.00 0.00 O ATOM 0 H ASP A 28 3.906 -12.454 1.649 1.00 0.00 H new ATOM 0 HA ASP A 28 1.794 -12.264 3.636 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.392 -10.698 3.404 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.401 -10.895 4.836 1.00 0.00 H new ATOM 383 N LEU A 29 2.687 -9.565 1.935 1.00 0.00 N ATOM 384 CA LEU A 29 2.196 -8.292 1.420 1.00 0.00 C ATOM 385 C LEU A 29 0.791 -8.443 0.844 1.00 0.00 C ATOM 386 O LEU A 29 -0.009 -7.508 0.881 1.00 0.00 O ATOM 387 CB LEU A 29 3.144 -7.753 0.347 1.00 0.00 C ATOM 388 CG LEU A 29 2.946 -6.290 -0.050 1.00 0.00 C ATOM 389 CD1 LEU A 29 3.282 -5.370 1.113 1.00 0.00 C ATOM 390 CD2 LEU A 29 3.795 -5.948 -1.266 1.00 0.00 C ATOM 0 H LEU A 29 3.681 -9.730 1.774 1.00 0.00 H new ATOM 0 HA LEU A 29 2.155 -7.585 2.248 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.168 -7.878 0.699 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.037 -8.369 -0.546 1.00 0.00 H new ATOM 0 HG LEU A 29 1.898 -6.143 -0.310 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.135 -4.333 0.811 1.00 0.00 H new ATOM 0 HD12 LEU A 29 2.631 -5.598 1.957 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.321 -5.519 1.406 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.642 -4.903 -1.535 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.847 -6.112 -1.033 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.505 -6.584 -2.103 1.00 0.00 H new ATOM 402 N ASP A 30 0.499 -9.625 0.314 1.00 0.00 N ATOM 403 CA ASP A 30 -0.810 -9.900 -0.267 1.00 0.00 C ATOM 404 C ASP A 30 -1.926 -9.507 0.696 1.00 0.00 C ATOM 405 O ASP A 30 -2.826 -8.744 0.344 1.00 0.00 O ATOM 406 CB ASP A 30 -0.930 -11.381 -0.630 1.00 0.00 C ATOM 407 CG ASP A 30 -2.073 -11.651 -1.589 1.00 0.00 C ATOM 408 OD1 ASP A 30 -2.090 -11.041 -2.679 1.00 0.00 O ATOM 409 OD2 ASP A 30 -2.949 -12.474 -1.251 1.00 0.00 O ATOM 0 H ASP A 30 1.151 -10.408 0.275 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.910 -9.303 -1.173 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.004 -11.719 -1.078 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -1.077 -11.964 0.279 1.00 0.00 H new ATOM 414 N THR A 31 -1.861 -10.035 1.915 1.00 0.00 N ATOM 415 CA THR A 31 -2.866 -9.742 2.929 1.00 0.00 C ATOM 416 C THR A 31 -2.896 -8.254 3.260 1.00 0.00 C ATOM 417 O THR A 31 -3.964 -7.671 3.448 1.00 0.00 O ATOM 418 CB THR A 31 -2.608 -10.538 4.222 1.00 0.00 C ATOM 419 OG1 THR A 31 -2.439 -11.927 3.917 1.00 0.00 O ATOM 420 CG2 THR A 31 -3.758 -10.366 5.203 1.00 0.00 C ATOM 0 H THR A 31 -1.123 -10.668 2.223 1.00 0.00 H new ATOM 0 HA THR A 31 -3.829 -10.039 2.514 1.00 0.00 H new ATOM 0 HB THR A 31 -1.698 -10.154 4.683 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.274 -12.426 4.744 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.553 -10.938 6.108 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.865 -9.311 5.456 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.681 -10.726 4.748 1.00 0.00 H new ATOM 428 N LYS A 32 -1.718 -7.644 3.328 1.00 0.00 N ATOM 429 CA LYS A 32 -1.608 -6.222 3.634 1.00 0.00 C ATOM 430 C LYS A 32 -2.414 -5.389 2.643 1.00 0.00 C ATOM 431 O LYS A 32 -3.202 -4.529 3.036 1.00 0.00 O ATOM 432 CB LYS A 32 -0.142 -5.786 3.609 1.00 0.00 C ATOM 433 CG LYS A 32 0.740 -6.562 4.572 1.00 0.00 C ATOM 434 CD LYS A 32 0.612 -6.038 5.992 1.00 0.00 C ATOM 435 CE LYS A 32 1.296 -6.960 6.990 1.00 0.00 C ATOM 436 NZ LYS A 32 0.488 -8.181 7.263 1.00 0.00 N ATOM 0 H LYS A 32 -0.825 -8.112 3.175 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.012 -6.058 4.633 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.246 -5.905 2.598 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.083 -4.725 3.850 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.467 -7.617 4.547 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.779 -6.494 4.250 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.051 -5.042 6.055 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.442 -5.938 6.251 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.274 -7.250 6.605 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.467 -6.422 7.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 0.947 -8.741 8.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.465 -7.904 7.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.417 -8.751 6.396 1.00 0.00 H new ATOM 450 N SER A 33 -2.213 -5.651 1.355 1.00 0.00 N ATOM 451 CA SER A 33 -2.920 -4.923 0.307 1.00 0.00 C ATOM 452 C SER A 33 -4.430 -5.067 0.470 1.00 0.00 C ATOM 453 O SER A 33 -5.175 -4.093 0.355 1.00 0.00 O ATOM 454 CB SER A 33 -2.493 -5.430 -1.072 1.00 0.00 C ATOM 455 OG SER A 33 -1.117 -5.767 -1.088 1.00 0.00 O ATOM 0 H SER A 33 -1.567 -6.362 1.012 1.00 0.00 H new ATOM 0 HA SER A 33 -2.662 -3.868 0.394 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.087 -6.303 -1.342 1.00 0.00 H new ATOM 0 HB3 SER A 33 -2.692 -4.664 -1.822 1.00 0.00 H new ATOM 0 HG SER A 33 -0.870 -6.090 -1.980 1.00 0.00 H new ATOM 461 N LYS A 34 -4.876 -6.289 0.739 1.00 0.00 N ATOM 462 CA LYS A 34 -6.297 -6.564 0.919 1.00 0.00 C ATOM 463 C LYS A 34 -6.853 -5.789 2.109 1.00 0.00 C ATOM 464 O LYS A 34 -7.855 -5.085 1.988 1.00 0.00 O ATOM 465 CB LYS A 34 -6.526 -8.063 1.120 1.00 0.00 C ATOM 466 CG LYS A 34 -6.233 -8.895 -0.117 1.00 0.00 C ATOM 467 CD LYS A 34 -5.941 -10.343 0.241 1.00 0.00 C ATOM 468 CE LYS A 34 -7.222 -11.148 0.392 1.00 0.00 C ATOM 469 NZ LYS A 34 -7.747 -11.099 1.785 1.00 0.00 N ATOM 0 H LYS A 34 -4.273 -7.106 0.837 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.822 -6.241 0.020 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.897 -8.411 1.939 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.561 -8.227 1.421 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.085 -8.852 -0.796 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.380 -8.471 -0.648 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.317 -10.791 -0.532 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.374 -10.382 1.171 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.976 -10.763 -0.294 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.035 -12.184 0.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.917 -12.067 2.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.052 -10.631 2.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -8.639 -10.565 1.801 1.00 0.00 H new ATOM 483 N GLN A 35 -6.197 -5.925 3.257 1.00 0.00 N ATOM 484 CA GLN A 35 -6.627 -5.237 4.468 1.00 0.00 C ATOM 485 C GLN A 35 -6.803 -3.743 4.213 1.00 0.00 C ATOM 486 O GLN A 35 -7.709 -3.113 4.758 1.00 0.00 O ATOM 487 CB GLN A 35 -5.614 -5.458 5.593 1.00 0.00 C ATOM 488 CG GLN A 35 -6.231 -5.426 6.982 1.00 0.00 C ATOM 489 CD GLN A 35 -7.122 -6.623 7.253 1.00 0.00 C ATOM 490 OE1 GLN A 35 -6.910 -7.706 6.707 1.00 0.00 O ATOM 491 NE2 GLN A 35 -8.127 -6.433 8.100 1.00 0.00 N ATOM 0 H GLN A 35 -5.366 -6.505 3.374 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.589 -5.652 4.768 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -5.123 -6.420 5.445 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -4.841 -4.692 5.530 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.437 -5.393 7.728 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -6.813 -4.511 7.096 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -8.266 -5.518 8.530 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -8.760 -7.202 8.321 1.00 0.00 H new ATOM 500 N ILE A 36 -5.930 -3.184 3.382 1.00 0.00 N ATOM 501 CA ILE A 36 -5.989 -1.765 3.055 1.00 0.00 C ATOM 502 C ILE A 36 -7.181 -1.458 2.155 1.00 0.00 C ATOM 503 O ILE A 36 -7.970 -0.556 2.440 1.00 0.00 O ATOM 504 CB ILE A 36 -4.699 -1.293 2.357 1.00 0.00 C ATOM 505 CG1 ILE A 36 -3.513 -1.378 3.320 1.00 0.00 C ATOM 506 CG2 ILE A 36 -4.867 0.127 1.837 1.00 0.00 C ATOM 507 CD1 ILE A 36 -2.176 -1.144 2.653 1.00 0.00 C ATOM 0 H ILE A 36 -5.174 -3.692 2.923 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.099 -1.229 3.997 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.501 -1.948 1.508 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.647 -0.644 4.115 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.508 -2.361 3.792 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.947 0.446 1.347 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.689 0.158 1.122 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.085 0.796 2.670 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.381 -1.219 3.395 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.020 -1.894 1.877 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.162 -0.150 2.205 1.00 0.00 H new ATOM 519 N GLN A 37 -7.307 -2.214 1.070 1.00 0.00 N ATOM 520 CA GLN A 37 -8.405 -2.023 0.129 1.00 0.00 C ATOM 521 C GLN A 37 -9.734 -1.887 0.864 1.00 0.00 C ATOM 522 O GLN A 37 -10.518 -0.981 0.583 1.00 0.00 O ATOM 523 CB GLN A 37 -8.471 -3.193 -0.855 1.00 0.00 C ATOM 524 CG GLN A 37 -9.390 -2.941 -2.039 1.00 0.00 C ATOM 525 CD GLN A 37 -9.794 -4.219 -2.747 1.00 0.00 C ATOM 526 OE1 GLN A 37 -10.411 -5.103 -2.152 1.00 0.00 O ATOM 527 NE2 GLN A 37 -9.448 -4.324 -4.024 1.00 0.00 N ATOM 0 H GLN A 37 -6.663 -2.964 0.820 1.00 0.00 H new ATOM 0 HA GLN A 37 -8.220 -1.102 -0.424 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.467 -3.404 -1.223 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.810 -4.083 -0.326 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.285 -2.422 -1.695 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.891 -2.280 -2.747 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.937 -3.567 -4.478 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.693 -5.162 -4.552 1.00 0.00 H new ATOM 536 N GLN A 38 -9.980 -2.792 1.806 1.00 0.00 N ATOM 537 CA GLN A 38 -11.215 -2.771 2.580 1.00 0.00 C ATOM 538 C GLN A 38 -11.491 -1.375 3.129 1.00 0.00 C ATOM 539 O GLN A 38 -12.584 -0.835 2.957 1.00 0.00 O ATOM 540 CB GLN A 38 -11.138 -3.778 3.729 1.00 0.00 C ATOM 541 CG GLN A 38 -11.459 -5.204 3.311 1.00 0.00 C ATOM 542 CD GLN A 38 -11.655 -6.129 4.496 1.00 0.00 C ATOM 543 OE1 GLN A 38 -12.717 -6.733 4.658 1.00 0.00 O ATOM 544 NE2 GLN A 38 -10.631 -6.247 5.332 1.00 0.00 N ATOM 0 H GLN A 38 -9.341 -3.548 2.051 1.00 0.00 H new ATOM 0 HA GLN A 38 -12.034 -3.048 1.917 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.136 -3.751 4.158 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -11.830 -3.474 4.514 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -12.362 -5.205 2.701 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -10.652 -5.586 2.686 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -9.770 -5.728 5.160 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -10.705 -6.856 6.147 1.00 0.00 H new ATOM 553 N TRP A 39 -10.495 -0.798 3.790 1.00 0.00 N ATOM 554 CA TRP A 39 -10.631 0.536 4.364 1.00 0.00 C ATOM 555 C TRP A 39 -10.969 1.561 3.287 1.00 0.00 C ATOM 556 O TRP A 39 -11.945 2.302 3.407 1.00 0.00 O ATOM 557 CB TRP A 39 -9.341 0.938 5.082 1.00 0.00 C ATOM 558 CG TRP A 39 -8.996 0.040 6.231 1.00 0.00 C ATOM 559 CD1 TRP A 39 -9.863 -0.506 7.134 1.00 0.00 C ATOM 560 CD2 TRP A 39 -7.690 -0.415 6.601 1.00 0.00 C ATOM 561 NE1 TRP A 39 -9.175 -1.272 8.043 1.00 0.00 N ATOM 562 CE2 TRP A 39 -7.840 -1.234 7.737 1.00 0.00 C ATOM 563 CE3 TRP A 39 -6.408 -0.212 6.082 1.00 0.00 C ATOM 564 CZ2 TRP A 39 -6.757 -1.846 8.361 1.00 0.00 C ATOM 565 CZ3 TRP A 39 -5.334 -0.820 6.702 1.00 0.00 C ATOM 566 CH2 TRP A 39 -5.513 -1.630 7.832 1.00 0.00 C ATOM 0 H TRP A 39 -9.585 -1.232 3.942 1.00 0.00 H new ATOM 0 HA TRP A 39 -11.448 0.513 5.085 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -8.519 0.933 4.367 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -9.440 1.961 5.446 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -10.933 -0.357 7.133 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -9.591 -1.786 8.820 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -6.260 0.410 5.211 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -6.893 -2.470 9.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -4.339 -0.669 6.310 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -4.653 -2.092 8.294 1.00 0.00 H new ATOM 577 N ILE A 40 -10.156 1.598 2.236 1.00 0.00 N ATOM 578 CA ILE A 40 -10.371 2.532 1.138 1.00 0.00 C ATOM 579 C ILE A 40 -11.823 2.506 0.671 1.00 0.00 C ATOM 580 O ILE A 40 -12.414 3.549 0.393 1.00 0.00 O ATOM 581 CB ILE A 40 -9.453 2.216 -0.057 1.00 0.00 C ATOM 582 CG1 ILE A 40 -7.985 2.295 0.365 1.00 0.00 C ATOM 583 CG2 ILE A 40 -9.731 3.174 -1.206 1.00 0.00 C ATOM 584 CD1 ILE A 40 -7.502 3.706 0.615 1.00 0.00 C ATOM 0 H ILE A 40 -9.343 0.992 2.122 1.00 0.00 H new ATOM 0 HA ILE A 40 -10.131 3.526 1.517 1.00 0.00 H new ATOM 0 HB ILE A 40 -9.660 1.201 -0.397 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.844 1.706 1.271 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -7.368 1.841 -0.410 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -9.074 2.938 -2.043 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -10.770 3.074 -1.520 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -9.548 4.197 -0.879 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.453 3.685 0.910 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.611 4.295 -0.296 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.094 4.157 1.411 1.00 0.00 H new ATOM 596 N GLU A 41 -12.391 1.307 0.588 1.00 0.00 N ATOM 597 CA GLU A 41 -13.774 1.146 0.155 1.00 0.00 C ATOM 598 C GLU A 41 -14.707 2.032 0.974 1.00 0.00 C ATOM 599 O GLU A 41 -15.648 2.623 0.442 1.00 0.00 O ATOM 600 CB GLU A 41 -14.203 -0.317 0.279 1.00 0.00 C ATOM 601 CG GLU A 41 -13.458 -1.252 -0.660 1.00 0.00 C ATOM 602 CD GLU A 41 -13.563 -2.705 -0.240 1.00 0.00 C ATOM 603 OE1 GLU A 41 -14.363 -3.003 0.672 1.00 0.00 O ATOM 604 OE2 GLU A 41 -12.846 -3.545 -0.823 1.00 0.00 O ATOM 0 H GLU A 41 -11.915 0.434 0.815 1.00 0.00 H new ATOM 0 HA GLU A 41 -13.838 1.449 -0.890 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -14.047 -0.647 1.306 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -15.272 -0.391 0.080 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -13.855 -1.140 -1.669 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -12.408 -0.963 -0.697 1.00 0.00 H new ATOM 611 N LYS A 42 -14.441 2.120 2.273 1.00 0.00 N ATOM 612 CA LYS A 42 -15.254 2.934 3.168 1.00 0.00 C ATOM 613 C LYS A 42 -14.767 4.380 3.183 1.00 0.00 C ATOM 614 O LYS A 42 -15.031 5.125 4.127 1.00 0.00 O ATOM 615 CB LYS A 42 -15.221 2.359 4.586 1.00 0.00 C ATOM 616 CG LYS A 42 -16.121 1.150 4.773 1.00 0.00 C ATOM 617 CD LYS A 42 -15.942 0.529 6.148 1.00 0.00 C ATOM 618 CE LYS A 42 -16.592 -0.844 6.229 1.00 0.00 C ATOM 619 NZ LYS A 42 -18.038 -0.753 6.575 1.00 0.00 N ATOM 0 H LYS A 42 -13.667 1.637 2.730 1.00 0.00 H new ATOM 0 HA LYS A 42 -16.280 2.919 2.800 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.196 2.080 4.832 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -15.518 3.135 5.291 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -17.162 1.446 4.639 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -15.899 0.408 4.006 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -14.879 0.443 6.374 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -16.377 1.184 6.903 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -16.479 -1.357 5.274 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -16.077 -1.446 6.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -18.445 -1.709 6.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -18.145 -0.287 7.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -18.535 -0.200 5.848 1.00 0.00 H new ATOM 633 N LYS A 43 -14.056 4.770 2.131 1.00 0.00 N ATOM 634 CA LYS A 43 -13.533 6.127 2.021 1.00 0.00 C ATOM 635 C LYS A 43 -12.770 6.520 3.282 1.00 0.00 C ATOM 636 O LYS A 43 -13.035 7.564 3.880 1.00 0.00 O ATOM 637 CB LYS A 43 -14.675 7.116 1.774 1.00 0.00 C ATOM 638 CG LYS A 43 -14.994 7.322 0.303 1.00 0.00 C ATOM 639 CD LYS A 43 -15.974 6.278 -0.206 1.00 0.00 C ATOM 640 CE LYS A 43 -17.408 6.641 0.146 1.00 0.00 C ATOM 641 NZ LYS A 43 -17.957 7.681 -0.767 1.00 0.00 N ATOM 0 H LYS A 43 -13.828 4.165 1.342 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.844 6.157 1.177 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -15.570 6.760 2.285 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -14.415 8.077 2.219 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -15.413 8.318 0.156 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -14.074 7.274 -0.280 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -15.877 6.183 -1.287 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -15.728 5.307 0.223 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -18.031 5.748 0.096 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -17.449 7.002 1.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -18.936 7.901 -0.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -17.378 8.542 -0.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -17.941 7.328 -1.745 1.00 0.00 H new ATOM 655 N TYR A 44 -11.822 5.680 3.680 1.00 0.00 N ATOM 656 CA TYR A 44 -11.021 5.940 4.870 1.00 0.00 C ATOM 657 C TYR A 44 -9.570 6.229 4.498 1.00 0.00 C ATOM 658 O TYR A 44 -8.994 5.567 3.633 1.00 0.00 O ATOM 659 CB TYR A 44 -11.086 4.746 5.824 1.00 0.00 C ATOM 660 CG TYR A 44 -12.420 4.598 6.519 1.00 0.00 C ATOM 661 CD1 TYR A 44 -13.066 5.700 7.068 1.00 0.00 C ATOM 662 CD2 TYR A 44 -13.036 3.357 6.628 1.00 0.00 C ATOM 663 CE1 TYR A 44 -14.285 5.570 7.704 1.00 0.00 C ATOM 664 CE2 TYR A 44 -14.256 3.218 7.261 1.00 0.00 C ATOM 665 CZ TYR A 44 -14.876 4.327 7.798 1.00 0.00 C ATOM 666 OH TYR A 44 -16.091 4.192 8.430 1.00 0.00 O ATOM 0 H TYR A 44 -11.589 4.813 3.196 1.00 0.00 H new ATOM 0 HA TYR A 44 -11.431 6.818 5.368 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -10.873 3.834 5.266 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -10.304 4.849 6.576 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -12.607 6.675 6.996 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -12.553 2.486 6.211 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -14.773 6.437 8.125 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -14.722 2.246 7.335 1.00 0.00 H new ATOM 0 HH TYR A 44 -16.368 3.252 8.408 1.00 0.00 H new ATOM 676 N HIS A 45 -8.983 7.223 5.157 1.00 0.00 N ATOM 677 CA HIS A 45 -7.599 7.601 4.898 1.00 0.00 C ATOM 678 C HIS A 45 -6.635 6.611 5.546 1.00 0.00 C ATOM 679 O HIS A 45 -6.534 6.538 6.771 1.00 0.00 O ATOM 680 CB HIS A 45 -7.326 9.012 5.420 1.00 0.00 C ATOM 681 CG HIS A 45 -7.590 10.086 4.410 1.00 0.00 C ATOM 682 ND1 HIS A 45 -6.668 10.467 3.459 1.00 0.00 N ATOM 683 CD2 HIS A 45 -8.682 10.859 4.205 1.00 0.00 C ATOM 684 CE1 HIS A 45 -7.180 11.430 2.713 1.00 0.00 C ATOM 685 NE2 HIS A 45 -8.401 11.686 3.145 1.00 0.00 N ATOM 0 H HIS A 45 -9.445 7.781 5.875 1.00 0.00 H new ATOM 0 HA HIS A 45 -7.440 7.584 3.820 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -7.945 9.191 6.299 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -6.287 9.076 5.743 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -9.602 10.831 4.769 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.684 11.924 1.890 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -9.033 12.385 2.755 1.00 0.00 H new ATOM 694 N VAL A 46 -5.929 5.850 4.715 1.00 0.00 N ATOM 695 CA VAL A 46 -4.973 4.865 5.207 1.00 0.00 C ATOM 696 C VAL A 46 -3.550 5.409 5.160 1.00 0.00 C ATOM 697 O VAL A 46 -3.109 5.933 4.138 1.00 0.00 O ATOM 698 CB VAL A 46 -5.040 3.561 4.390 1.00 0.00 C ATOM 699 CG1 VAL A 46 -4.022 2.555 4.905 1.00 0.00 C ATOM 700 CG2 VAL A 46 -6.445 2.979 4.429 1.00 0.00 C ATOM 0 H VAL A 46 -6.001 5.897 3.699 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.243 4.651 6.241 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.796 3.790 3.353 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.084 1.640 4.316 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.020 2.975 4.819 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.231 2.328 5.950 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.474 2.058 3.847 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.721 2.764 5.461 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.148 3.697 4.007 1.00 0.00 H new ATOM 710 N GLN A 47 -2.836 5.280 6.274 1.00 0.00 N ATOM 711 CA GLN A 47 -1.462 5.760 6.360 1.00 0.00 C ATOM 712 C GLN A 47 -0.481 4.593 6.420 1.00 0.00 C ATOM 713 O GLN A 47 -0.326 3.952 7.459 1.00 0.00 O ATOM 714 CB GLN A 47 -1.286 6.653 7.589 1.00 0.00 C ATOM 715 CG GLN A 47 0.120 7.209 7.741 1.00 0.00 C ATOM 716 CD GLN A 47 0.155 8.498 8.538 1.00 0.00 C ATOM 717 OE1 GLN A 47 1.049 8.565 9.518 1.00 0.00 O flip ATOM 718 NE2 GLN A 47 -0.613 9.424 8.277 1.00 0.00 N flip ATOM 0 H GLN A 47 -3.186 4.847 7.129 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.251 6.343 5.464 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.991 7.482 7.529 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.540 6.082 8.482 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.749 6.466 8.231 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.546 7.385 6.753 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.285 9.330 7.515 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.578 10.285 8.823 1.00 0.00 H new ATOM 727 N VAL A 48 0.179 4.323 5.298 1.00 0.00 N ATOM 728 CA VAL A 48 1.146 3.234 5.223 1.00 0.00 C ATOM 729 C VAL A 48 2.547 3.717 5.580 1.00 0.00 C ATOM 730 O VAL A 48 2.912 4.860 5.302 1.00 0.00 O ATOM 731 CB VAL A 48 1.174 2.604 3.818 1.00 0.00 C ATOM 732 CG1 VAL A 48 2.206 1.488 3.754 1.00 0.00 C ATOM 733 CG2 VAL A 48 -0.206 2.088 3.438 1.00 0.00 C ATOM 0 H VAL A 48 0.062 4.843 4.429 1.00 0.00 H new ATOM 0 HA VAL A 48 0.830 2.480 5.945 1.00 0.00 H new ATOM 0 HB VAL A 48 1.460 3.372 3.100 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.212 1.055 2.754 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.193 1.892 3.980 1.00 0.00 H new ATOM 0 HG13 VAL A 48 1.954 0.717 4.482 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.168 1.646 2.442 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.523 1.334 4.158 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.917 2.914 3.441 1.00 0.00 H new ATOM 743 N THR A 49 3.331 2.839 6.197 1.00 0.00 N ATOM 744 CA THR A 49 4.693 3.175 6.592 1.00 0.00 C ATOM 745 C THR A 49 5.638 2.001 6.364 1.00 0.00 C ATOM 746 O THR A 49 5.331 0.865 6.729 1.00 0.00 O ATOM 747 CB THR A 49 4.761 3.594 8.073 1.00 0.00 C ATOM 748 OG1 THR A 49 3.667 4.463 8.387 1.00 0.00 O ATOM 749 CG2 THR A 49 6.076 4.295 8.378 1.00 0.00 C ATOM 0 H THR A 49 3.046 1.889 6.434 1.00 0.00 H new ATOM 0 HA THR A 49 5.004 4.014 5.970 1.00 0.00 H new ATOM 0 HB THR A 49 4.697 2.694 8.685 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.717 4.724 9.330 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.100 4.581 9.429 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.906 3.620 8.166 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.166 5.186 7.757 1.00 0.00 H new ATOM 757 N ILE A 50 6.788 2.281 5.760 1.00 0.00 N ATOM 758 CA ILE A 50 7.778 1.248 5.486 1.00 0.00 C ATOM 759 C ILE A 50 9.044 1.467 6.307 1.00 0.00 C ATOM 760 O ILE A 50 9.546 2.587 6.408 1.00 0.00 O ATOM 761 CB ILE A 50 8.149 1.207 3.992 1.00 0.00 C ATOM 762 CG1 ILE A 50 6.886 1.221 3.129 1.00 0.00 C ATOM 763 CG2 ILE A 50 8.990 -0.025 3.689 1.00 0.00 C ATOM 764 CD1 ILE A 50 7.158 1.015 1.655 1.00 0.00 C ATOM 0 H ILE A 50 7.057 3.215 5.451 1.00 0.00 H new ATOM 0 HA ILE A 50 7.327 0.296 5.767 1.00 0.00 H new ATOM 0 HB ILE A 50 8.738 2.093 3.755 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.209 0.441 3.478 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.373 2.173 3.266 1.00 0.00 H new ATOM 0 HG21 ILE A 50 9.244 -0.040 2.629 1.00 0.00 H new ATOM 0 HG22 ILE A 50 9.905 0.004 4.281 1.00 0.00 H new ATOM 0 HG23 ILE A 50 8.424 -0.922 3.939 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.217 1.037 1.105 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.810 1.809 1.291 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.643 0.050 1.506 1.00 0.00 H new ATOM 776 N LYS A 51 9.557 0.390 6.892 1.00 0.00 N ATOM 777 CA LYS A 51 10.767 0.462 7.703 1.00 0.00 C ATOM 778 C LYS A 51 11.974 -0.052 6.925 1.00 0.00 C ATOM 779 O LYS A 51 11.870 -1.013 6.162 1.00 0.00 O ATOM 780 CB LYS A 51 10.592 -0.348 8.989 1.00 0.00 C ATOM 781 CG LYS A 51 9.636 0.288 9.983 1.00 0.00 C ATOM 782 CD LYS A 51 9.676 -0.420 11.327 1.00 0.00 C ATOM 783 CE LYS A 51 9.018 -1.789 11.256 1.00 0.00 C ATOM 784 NZ LYS A 51 8.977 -2.455 12.587 1.00 0.00 N ATOM 0 H LYS A 51 9.153 -0.544 6.820 1.00 0.00 H new ATOM 0 HA LYS A 51 10.941 1.507 7.960 1.00 0.00 H new ATOM 0 HB2 LYS A 51 10.229 -1.344 8.735 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.565 -0.475 9.464 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.894 1.339 10.116 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.622 0.257 9.585 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.711 -0.529 11.651 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.170 0.190 12.076 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.004 -1.685 10.871 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.563 -2.418 10.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.521 -3.385 12.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 9.946 -2.578 12.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.435 -1.868 13.253 1.00 0.00 H new ATOM 978 N THR A 63 12.009 1.055 -2.122 1.00 0.00 N ATOM 979 CA THR A 63 11.019 1.522 -1.161 1.00 0.00 C ATOM 980 C THR A 63 9.718 1.908 -1.856 1.00 0.00 C ATOM 981 O THR A 63 8.648 1.408 -1.510 1.00 0.00 O ATOM 982 CB THR A 63 11.538 2.731 -0.361 1.00 0.00 C ATOM 983 OG1 THR A 63 12.929 2.562 -0.065 1.00 0.00 O ATOM 984 CG2 THR A 63 10.756 2.900 0.933 1.00 0.00 C ATOM 0 HA THR A 63 10.831 0.696 -0.475 1.00 0.00 H new ATOM 0 HB THR A 63 11.402 3.626 -0.968 1.00 0.00 H new ATOM 0 HG1 THR A 63 13.345 2.006 -0.756 1.00 0.00 H new ATOM 0 HG21 THR A 63 11.141 3.760 1.481 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.702 3.058 0.703 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.864 2.003 1.543 1.00 0.00 H new ATOM 992 N GLU A 64 9.818 2.799 -2.837 1.00 0.00 N ATOM 993 CA GLU A 64 8.647 3.251 -3.580 1.00 0.00 C ATOM 994 C GLU A 64 7.852 2.064 -4.116 1.00 0.00 C ATOM 995 O GLU A 64 6.646 1.962 -3.895 1.00 0.00 O ATOM 996 CB GLU A 64 9.069 4.160 -4.736 1.00 0.00 C ATOM 997 CG GLU A 64 9.294 5.605 -4.323 1.00 0.00 C ATOM 998 CD GLU A 64 9.948 6.429 -5.415 1.00 0.00 C ATOM 999 OE1 GLU A 64 10.632 5.837 -6.275 1.00 0.00 O ATOM 1000 OE2 GLU A 64 9.776 7.666 -5.409 1.00 0.00 O ATOM 0 H GLU A 64 10.697 3.222 -3.136 1.00 0.00 H new ATOM 0 HA GLU A 64 8.010 3.815 -2.898 1.00 0.00 H new ATOM 0 HB2 GLU A 64 9.986 3.770 -5.178 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.303 4.127 -5.511 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.338 6.056 -4.056 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.919 5.631 -3.430 1.00 0.00 H new ATOM 1007 N GLU A 65 8.537 1.171 -4.823 1.00 0.00 N ATOM 1008 CA GLU A 65 7.894 -0.008 -5.393 1.00 0.00 C ATOM 1009 C GLU A 65 6.806 -0.537 -4.462 1.00 0.00 C ATOM 1010 O GLU A 65 5.658 -0.717 -4.871 1.00 0.00 O ATOM 1011 CB GLU A 65 8.929 -1.102 -5.659 1.00 0.00 C ATOM 1012 CG GLU A 65 9.687 -0.919 -6.963 1.00 0.00 C ATOM 1013 CD GLU A 65 10.813 -1.920 -7.129 1.00 0.00 C ATOM 1014 OE1 GLU A 65 11.311 -2.429 -6.104 1.00 0.00 O ATOM 1015 OE2 GLU A 65 11.197 -2.194 -8.286 1.00 0.00 O ATOM 0 H GLU A 65 9.536 1.241 -5.015 1.00 0.00 H new ATOM 0 HA GLU A 65 7.432 0.282 -6.337 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.642 -1.124 -4.834 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.427 -2.069 -5.673 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.994 -1.016 -7.798 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.095 0.091 -7.003 1.00 0.00 H new ATOM 1022 N ILE A 66 7.176 -0.784 -3.210 1.00 0.00 N ATOM 1023 CA ILE A 66 6.232 -1.292 -2.222 1.00 0.00 C ATOM 1024 C ILE A 66 4.846 -0.689 -2.425 1.00 0.00 C ATOM 1025 O ILE A 66 3.906 -1.384 -2.811 1.00 0.00 O ATOM 1026 CB ILE A 66 6.705 -0.992 -0.787 1.00 0.00 C ATOM 1027 CG1 ILE A 66 7.947 -1.820 -0.452 1.00 0.00 C ATOM 1028 CG2 ILE A 66 5.589 -1.275 0.208 1.00 0.00 C ATOM 1029 CD1 ILE A 66 7.652 -3.286 -0.223 1.00 0.00 C ATOM 0 H ILE A 66 8.122 -0.641 -2.856 1.00 0.00 H new ATOM 0 HA ILE A 66 6.179 -2.372 -2.361 1.00 0.00 H new ATOM 0 HB ILE A 66 6.967 0.064 -0.720 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.667 -1.725 -1.265 1.00 0.00 H new ATOM 0 HG13 ILE A 66 8.418 -1.409 0.441 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.938 -1.058 1.218 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.729 -0.646 -0.021 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.299 -2.324 0.141 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.578 -3.811 0.010 1.00 0.00 H new ATOM 0 HD12 ILE A 66 6.956 -3.391 0.609 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.209 -3.713 -1.123 1.00 0.00 H new ATOM 1041 N PHE A 67 4.727 0.608 -2.163 1.00 0.00 N ATOM 1042 CA PHE A 67 3.455 1.305 -2.317 1.00 0.00 C ATOM 1043 C PHE A 67 2.820 0.985 -3.668 1.00 0.00 C ATOM 1044 O PHE A 67 1.615 0.757 -3.760 1.00 0.00 O ATOM 1045 CB PHE A 67 3.658 2.816 -2.181 1.00 0.00 C ATOM 1046 CG PHE A 67 4.417 3.210 -0.947 1.00 0.00 C ATOM 1047 CD1 PHE A 67 3.778 3.290 0.280 1.00 0.00 C ATOM 1048 CD2 PHE A 67 5.771 3.500 -1.013 1.00 0.00 C ATOM 1049 CE1 PHE A 67 4.475 3.653 1.417 1.00 0.00 C ATOM 1050 CE2 PHE A 67 6.473 3.863 0.120 1.00 0.00 C ATOM 1051 CZ PHE A 67 5.824 3.939 1.337 1.00 0.00 C ATOM 0 H PHE A 67 5.495 1.198 -1.843 1.00 0.00 H new ATOM 0 HA PHE A 67 2.783 0.963 -1.529 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.191 3.183 -3.058 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.684 3.306 -2.171 1.00 0.00 H new ATOM 0 HD1 PHE A 67 2.724 3.066 0.349 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.283 3.441 -1.962 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.965 3.713 2.367 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.527 4.087 0.054 1.00 0.00 H new ATOM 0 HZ PHE A 67 6.370 4.222 2.225 1.00 0.00 H new ATOM 1061 N ASN A 68 3.641 0.972 -4.712 1.00 0.00 N ATOM 1062 CA ASN A 68 3.161 0.682 -6.058 1.00 0.00 C ATOM 1063 C ASN A 68 2.568 -0.722 -6.133 1.00 0.00 C ATOM 1064 O ASN A 68 1.551 -0.942 -6.791 1.00 0.00 O ATOM 1065 CB ASN A 68 4.300 0.821 -7.070 1.00 0.00 C ATOM 1066 CG ASN A 68 4.140 -0.114 -8.254 1.00 0.00 C ATOM 1067 OD1 ASN A 68 3.190 0.003 -9.027 1.00 0.00 O ATOM 1068 ND2 ASN A 68 5.071 -1.049 -8.399 1.00 0.00 N ATOM 0 H ASN A 68 4.642 1.159 -4.652 1.00 0.00 H new ATOM 0 HA ASN A 68 2.379 1.402 -6.301 1.00 0.00 H new ATOM 0 HB2 ASN A 68 4.342 1.850 -7.427 1.00 0.00 H new ATOM 0 HB3 ASN A 68 5.249 0.616 -6.575 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.016 -1.708 -9.176 1.00 0.00 H new ATOM 0 HD22 ASN A 68 5.842 -1.109 -7.733 1.00 0.00 H new ATOM 1075 N GLN A 69 3.211 -1.667 -5.455 1.00 0.00 N ATOM 1076 CA GLN A 69 2.746 -3.049 -5.445 1.00 0.00 C ATOM 1077 C GLN A 69 1.332 -3.145 -4.881 1.00 0.00 C ATOM 1078 O GLN A 69 0.500 -3.895 -5.392 1.00 0.00 O ATOM 1079 CB GLN A 69 3.696 -3.922 -4.623 1.00 0.00 C ATOM 1080 CG GLN A 69 5.158 -3.757 -5.004 1.00 0.00 C ATOM 1081 CD GLN A 69 5.991 -4.979 -4.668 1.00 0.00 C ATOM 1082 OE1 GLN A 69 6.453 -5.138 -3.538 1.00 0.00 O ATOM 1083 NE2 GLN A 69 6.185 -5.850 -5.651 1.00 0.00 N ATOM 0 H GLN A 69 4.055 -1.501 -4.906 1.00 0.00 H new ATOM 0 HA GLN A 69 2.731 -3.408 -6.474 1.00 0.00 H new ATOM 0 HB2 GLN A 69 3.575 -3.681 -3.567 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.413 -4.967 -4.746 1.00 0.00 H new ATOM 0 HG2 GLN A 69 5.230 -3.556 -6.073 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.568 -2.889 -4.488 1.00 0.00 H new ATOM 0 HE21 GLN A 69 5.783 -5.677 -6.572 1.00 0.00 H new ATOM 0 HE22 GLN A 69 6.736 -6.692 -5.485 1.00 0.00 H new ATOM 1092 N ILE A 70 1.068 -2.381 -3.827 1.00 0.00 N ATOM 1093 CA ILE A 70 -0.245 -2.379 -3.195 1.00 0.00 C ATOM 1094 C ILE A 70 -1.280 -1.694 -4.081 1.00 0.00 C ATOM 1095 O ILE A 70 -2.390 -2.198 -4.261 1.00 0.00 O ATOM 1096 CB ILE A 70 -0.210 -1.674 -1.826 1.00 0.00 C ATOM 1097 CG1 ILE A 70 0.921 -2.240 -0.965 1.00 0.00 C ATOM 1098 CG2 ILE A 70 -1.549 -1.825 -1.118 1.00 0.00 C ATOM 1099 CD1 ILE A 70 1.285 -1.359 0.210 1.00 0.00 C ATOM 0 H ILE A 70 1.746 -1.755 -3.393 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.527 -3.422 -3.050 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.023 -0.612 -1.985 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.628 -3.223 -0.595 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.804 -2.384 -1.588 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.509 -1.322 -0.152 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.335 -1.379 -1.727 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.764 -2.883 -0.967 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.093 -1.822 0.776 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.609 -0.384 -0.153 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.415 -1.235 0.855 1.00 0.00 H new ATOM 1111 N LEU A 71 -0.910 -0.544 -4.633 1.00 0.00 N ATOM 1112 CA LEU A 71 -1.806 0.210 -5.503 1.00 0.00 C ATOM 1113 C LEU A 71 -2.305 -0.657 -6.654 1.00 0.00 C ATOM 1114 O LEU A 71 -3.429 -0.490 -7.127 1.00 0.00 O ATOM 1115 CB LEU A 71 -1.094 1.447 -6.053 1.00 0.00 C ATOM 1116 CG LEU A 71 -1.984 2.488 -6.732 1.00 0.00 C ATOM 1117 CD1 LEU A 71 -2.805 3.244 -5.700 1.00 0.00 C ATOM 1118 CD2 LEU A 71 -1.143 3.451 -7.558 1.00 0.00 C ATOM 0 H LEU A 71 0.004 -0.113 -4.494 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.665 0.526 -4.911 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.564 1.931 -5.233 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.341 1.119 -6.770 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.670 1.970 -7.402 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.432 3.980 -6.202 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.436 2.543 -5.153 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.137 3.751 -5.004 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.793 4.185 -8.034 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.432 3.962 -6.909 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.601 2.896 -8.323 1.00 0.00 H new ATOM 1130 N GLN A 72 -1.463 -1.585 -7.098 1.00 0.00 N ATOM 1131 CA GLN A 72 -1.820 -2.479 -8.192 1.00 0.00 C ATOM 1132 C GLN A 72 -3.080 -3.271 -7.860 1.00 0.00 C ATOM 1133 O GLN A 72 -3.708 -3.860 -8.741 1.00 0.00 O ATOM 1134 CB GLN A 72 -0.666 -3.438 -8.493 1.00 0.00 C ATOM 1135 CG GLN A 72 0.393 -2.847 -9.409 1.00 0.00 C ATOM 1136 CD GLN A 72 1.221 -3.909 -10.106 1.00 0.00 C ATOM 1137 OE1 GLN A 72 0.695 -4.931 -10.548 1.00 0.00 O ATOM 1138 NE2 GLN A 72 2.523 -3.672 -10.208 1.00 0.00 N ATOM 0 H GLN A 72 -0.529 -1.737 -6.717 1.00 0.00 H new ATOM 0 HA GLN A 72 -2.017 -1.870 -9.074 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.198 -3.736 -7.555 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -1.066 -4.343 -8.951 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.089 -2.219 -10.158 1.00 0.00 H new ATOM 0 HG3 GLN A 72 1.052 -2.202 -8.828 1.00 0.00 H new ATOM 0 HE21 GLN A 72 2.916 -2.811 -9.827 1.00 0.00 H new ATOM 0 HE22 GLN A 72 3.130 -4.351 -10.667 1.00 0.00 H new ATOM 1147 N THR A 73 -3.447 -3.282 -6.582 1.00 0.00 N ATOM 1148 CA THR A 73 -4.631 -4.002 -6.132 1.00 0.00 C ATOM 1149 C THR A 73 -5.841 -3.078 -6.058 1.00 0.00 C ATOM 1150 O THR A 73 -6.984 -3.535 -6.068 1.00 0.00 O ATOM 1151 CB THR A 73 -4.406 -4.647 -4.752 1.00 0.00 C ATOM 1152 OG1 THR A 73 -4.528 -3.658 -3.723 1.00 0.00 O ATOM 1153 CG2 THR A 73 -3.033 -5.298 -4.676 1.00 0.00 C ATOM 0 H THR A 73 -2.940 -2.800 -5.840 1.00 0.00 H new ATOM 0 HA THR A 73 -4.821 -4.787 -6.864 1.00 0.00 H new ATOM 0 HB THR A 73 -5.164 -5.417 -4.608 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.862 -2.954 -3.866 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.897 -5.747 -3.692 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.954 -6.070 -5.441 1.00 0.00 H new ATOM 0 HG23 THR A 73 -2.263 -4.544 -4.840 1.00 0.00 H new ATOM 1161 N MET A 74 -5.582 -1.777 -5.983 1.00 0.00 N ATOM 1162 CA MET A 74 -6.652 -0.788 -5.909 1.00 0.00 C ATOM 1163 C MET A 74 -6.421 0.339 -6.911 1.00 0.00 C ATOM 1164 O MET A 74 -6.569 1.520 -6.598 1.00 0.00 O ATOM 1165 CB MET A 74 -6.749 -0.216 -4.494 1.00 0.00 C ATOM 1166 CG MET A 74 -5.401 -0.051 -3.811 1.00 0.00 C ATOM 1167 SD MET A 74 -5.554 0.328 -2.055 1.00 0.00 S ATOM 1168 CE MET A 74 -4.814 -1.132 -1.327 1.00 0.00 C ATOM 0 H MET A 74 -4.641 -1.383 -5.972 1.00 0.00 H new ATOM 0 HA MET A 74 -7.590 -1.285 -6.158 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.247 0.753 -4.536 1.00 0.00 H new ATOM 0 HB3 MET A 74 -7.376 -0.871 -3.889 1.00 0.00 H new ATOM 0 HG2 MET A 74 -4.822 -0.967 -3.932 1.00 0.00 H new ATOM 0 HG3 MET A 74 -4.844 0.746 -4.303 1.00 0.00 H new ATOM 0 HE1 MET A 74 -5.587 -1.728 -0.841 1.00 0.00 H new ATOM 0 HE2 MET A 74 -4.336 -1.725 -2.107 1.00 0.00 H new ATOM 0 HE3 MET A 74 -4.069 -0.833 -0.590 1.00 0.00 H new ATOM 1178 N PRO A 75 -6.050 -0.032 -8.146 1.00 0.00 N ATOM 1179 CA PRO A 75 -5.792 0.933 -9.218 1.00 0.00 C ATOM 1180 C PRO A 75 -7.066 1.618 -9.701 1.00 0.00 C ATOM 1181 O PRO A 75 -7.011 2.645 -10.377 1.00 0.00 O ATOM 1182 CB PRO A 75 -5.192 0.072 -10.333 1.00 0.00 C ATOM 1183 CG PRO A 75 -5.724 -1.297 -10.082 1.00 0.00 C ATOM 1184 CD PRO A 75 -5.855 -1.423 -8.589 1.00 0.00 C ATOM 0 HA PRO A 75 -5.141 1.743 -8.889 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -5.486 0.437 -11.317 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.103 0.085 -10.301 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -6.688 -1.437 -10.572 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -5.051 -2.056 -10.480 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -6.698 -2.055 -8.311 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.964 -1.866 -8.143 1.00 0.00 H new ATOM 1192 N ASP A 76 -8.211 1.043 -9.349 1.00 0.00 N ATOM 1193 CA ASP A 76 -9.499 1.600 -9.745 1.00 0.00 C ATOM 1194 C ASP A 76 -10.355 1.913 -8.522 1.00 0.00 C ATOM 1195 O ASP A 76 -11.565 2.112 -8.634 1.00 0.00 O ATOM 1196 CB ASP A 76 -10.238 0.627 -10.666 1.00 0.00 C ATOM 1197 CG ASP A 76 -9.453 0.310 -11.923 1.00 0.00 C ATOM 1198 OD1 ASP A 76 -8.246 0.009 -11.809 1.00 0.00 O ATOM 1199 OD2 ASP A 76 -10.044 0.365 -13.022 1.00 0.00 O ATOM 0 H ASP A 76 -8.273 0.192 -8.790 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.315 2.529 -10.284 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -10.441 -0.297 -10.125 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -11.203 1.054 -10.941 1.00 0.00 H new ATOM 1204 N ILE A 77 -9.720 1.952 -7.356 1.00 0.00 N ATOM 1205 CA ILE A 77 -10.424 2.240 -6.113 1.00 0.00 C ATOM 1206 C ILE A 77 -9.651 3.244 -5.263 1.00 0.00 C ATOM 1207 O ILE A 77 -10.242 4.078 -4.579 1.00 0.00 O ATOM 1208 CB ILE A 77 -10.658 0.960 -5.289 1.00 0.00 C ATOM 1209 CG1 ILE A 77 -10.856 1.307 -3.812 1.00 0.00 C ATOM 1210 CG2 ILE A 77 -9.491 -0.001 -5.461 1.00 0.00 C ATOM 1211 CD1 ILE A 77 -11.346 0.144 -2.978 1.00 0.00 C ATOM 0 H ILE A 77 -8.719 1.788 -7.246 1.00 0.00 H new ATOM 0 HA ILE A 77 -11.388 2.667 -6.388 1.00 0.00 H new ATOM 0 HB ILE A 77 -11.562 0.472 -5.652 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -9.912 1.665 -3.402 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -11.570 2.127 -3.732 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -9.671 -0.901 -4.873 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -9.392 -0.269 -6.513 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -8.573 0.477 -5.121 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -11.464 0.463 -1.942 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -12.306 -0.201 -3.363 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -10.622 -0.669 -3.027 1.00 0.00 H new ATOM 1223 N ALA A 78 -8.326 3.158 -5.315 1.00 0.00 N ATOM 1224 CA ALA A 78 -7.472 4.061 -4.553 1.00 0.00 C ATOM 1225 C ALA A 78 -6.478 4.774 -5.463 1.00 0.00 C ATOM 1226 O ALA A 78 -6.245 4.353 -6.597 1.00 0.00 O ATOM 1227 CB ALA A 78 -6.737 3.297 -3.462 1.00 0.00 C ATOM 0 H ALA A 78 -7.821 2.473 -5.877 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.106 4.816 -4.088 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.103 3.984 -2.901 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.461 2.839 -2.788 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.120 2.521 -3.914 1.00 0.00 H new ATOM 1233 N THR A 79 -5.895 5.858 -4.961 1.00 0.00 N ATOM 1234 CA THR A 79 -4.927 6.631 -5.729 1.00 0.00 C ATOM 1235 C THR A 79 -3.882 7.266 -4.818 1.00 0.00 C ATOM 1236 O THR A 79 -4.135 7.501 -3.636 1.00 0.00 O ATOM 1237 CB THR A 79 -5.617 7.738 -6.549 1.00 0.00 C ATOM 1238 OG1 THR A 79 -4.635 8.531 -7.225 1.00 0.00 O ATOM 1239 CG2 THR A 79 -6.465 8.627 -5.652 1.00 0.00 C ATOM 0 H THR A 79 -6.077 6.221 -4.025 1.00 0.00 H new ATOM 0 HA THR A 79 -4.436 5.936 -6.410 1.00 0.00 H new ATOM 0 HB THR A 79 -6.268 7.264 -7.283 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.082 9.231 -7.745 1.00 0.00 H new ATOM 0 HG21 THR A 79 -6.942 9.401 -6.253 1.00 0.00 H new ATOM 0 HG22 THR A 79 -7.230 8.025 -5.162 1.00 0.00 H new ATOM 0 HG23 THR A 79 -5.831 9.093 -4.897 1.00 0.00 H new ATOM 1247 N PHE A 80 -2.708 7.541 -5.375 1.00 0.00 N ATOM 1248 CA PHE A 80 -1.624 8.148 -4.612 1.00 0.00 C ATOM 1249 C PHE A 80 -2.013 9.543 -4.130 1.00 0.00 C ATOM 1250 O PHE A 80 -1.774 10.537 -4.815 1.00 0.00 O ATOM 1251 CB PHE A 80 -0.354 8.226 -5.463 1.00 0.00 C ATOM 1252 CG PHE A 80 0.556 7.045 -5.290 1.00 0.00 C ATOM 1253 CD1 PHE A 80 1.072 6.726 -4.044 1.00 0.00 C ATOM 1254 CD2 PHE A 80 0.897 6.252 -6.375 1.00 0.00 C ATOM 1255 CE1 PHE A 80 1.910 5.639 -3.883 1.00 0.00 C ATOM 1256 CE2 PHE A 80 1.735 5.164 -6.219 1.00 0.00 C ATOM 1257 CZ PHE A 80 2.242 4.857 -4.972 1.00 0.00 C ATOM 0 H PHE A 80 -2.483 7.353 -6.352 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.431 7.522 -3.741 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.634 8.308 -6.513 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.190 9.135 -5.207 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.816 7.334 -3.189 1.00 0.00 H new ATOM 0 HD2 PHE A 80 0.503 6.487 -7.353 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.305 5.401 -2.906 1.00 0.00 H new ATOM 0 HE2 PHE A 80 1.993 4.554 -7.072 1.00 0.00 H new ATOM 0 HZ PHE A 80 2.897 4.007 -4.848 1.00 0.00 H new ATOM 1267 N SER A 81 -2.614 9.607 -2.946 1.00 0.00 N ATOM 1268 CA SER A 81 -3.041 10.878 -2.373 1.00 0.00 C ATOM 1269 C SER A 81 -1.837 11.714 -1.949 1.00 0.00 C ATOM 1270 O SER A 81 -1.713 12.879 -2.326 1.00 0.00 O ATOM 1271 CB SER A 81 -3.958 10.638 -1.172 1.00 0.00 C ATOM 1272 OG SER A 81 -4.731 11.789 -0.883 1.00 0.00 O ATOM 0 H SER A 81 -2.816 8.793 -2.365 1.00 0.00 H new ATOM 0 HA SER A 81 -3.592 11.426 -3.137 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.618 9.795 -1.377 1.00 0.00 H new ATOM 0 HB3 SER A 81 -3.360 10.370 -0.301 1.00 0.00 H new ATOM 0 HG SER A 81 -5.189 11.669 -0.025 1.00 0.00 H new ATOM 1278 N SER A 82 -0.953 11.110 -1.162 1.00 0.00 N ATOM 1279 CA SER A 82 0.240 11.799 -0.682 1.00 0.00 C ATOM 1280 C SER A 82 1.501 11.028 -1.059 1.00 0.00 C ATOM 1281 O SER A 82 1.861 10.048 -0.406 1.00 0.00 O ATOM 1282 CB SER A 82 0.174 11.981 0.835 1.00 0.00 C ATOM 1283 OG SER A 82 -0.489 13.187 1.176 1.00 0.00 O ATOM 0 H SER A 82 -1.040 10.145 -0.843 1.00 0.00 H new ATOM 0 HA SER A 82 0.279 12.779 -1.157 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.348 11.136 1.283 1.00 0.00 H new ATOM 0 HB3 SER A 82 1.183 11.988 1.248 1.00 0.00 H new ATOM 0 HG SER A 82 -0.520 13.279 2.151 1.00 0.00 H new ATOM 1289 N ARG A 83 2.168 11.477 -2.117 1.00 0.00 N ATOM 1290 CA ARG A 83 3.388 10.829 -2.583 1.00 0.00 C ATOM 1291 C ARG A 83 4.279 10.439 -1.407 1.00 0.00 C ATOM 1292 O ARG A 83 4.454 11.195 -0.451 1.00 0.00 O ATOM 1293 CB ARG A 83 4.153 11.756 -3.530 1.00 0.00 C ATOM 1294 CG ARG A 83 3.721 11.633 -4.982 1.00 0.00 C ATOM 1295 CD ARG A 83 2.431 12.393 -5.245 1.00 0.00 C ATOM 1296 NE ARG A 83 1.924 12.159 -6.595 1.00 0.00 N ATOM 1297 CZ ARG A 83 0.806 12.702 -7.064 1.00 0.00 C ATOM 1298 NH1 ARG A 83 0.082 13.505 -6.297 1.00 0.00 N ATOM 1299 NH2 ARG A 83 0.410 12.441 -8.304 1.00 0.00 N ATOM 0 H ARG A 83 1.884 12.287 -2.668 1.00 0.00 H new ATOM 0 HA ARG A 83 3.107 9.923 -3.120 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.016 12.787 -3.205 1.00 0.00 H new ATOM 0 HB3 ARG A 83 5.218 11.538 -3.457 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.509 12.016 -5.631 1.00 0.00 H new ATOM 0 HG3 ARG A 83 3.583 10.582 -5.234 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.678 12.091 -4.517 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.603 13.460 -5.102 1.00 0.00 H new ATOM 0 HE ARG A 83 2.457 11.545 -7.211 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.383 13.708 -5.344 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.776 13.920 -6.660 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.964 11.823 -8.897 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.449 12.858 -8.664 1.00 0.00 H new ATOM 1313 N PRO A 84 4.856 9.230 -1.477 1.00 0.00 N ATOM 1314 CA PRO A 84 5.738 8.711 -0.427 1.00 0.00 C ATOM 1315 C PRO A 84 7.069 9.452 -0.371 1.00 0.00 C ATOM 1316 O PRO A 84 7.669 9.753 -1.403 1.00 0.00 O ATOM 1317 CB PRO A 84 5.954 7.252 -0.834 1.00 0.00 C ATOM 1318 CG PRO A 84 5.739 7.234 -2.308 1.00 0.00 C ATOM 1319 CD PRO A 84 4.692 8.276 -2.587 1.00 0.00 C ATOM 0 HA PRO A 84 5.304 8.830 0.566 1.00 0.00 H new ATOM 0 HB2 PRO A 84 6.958 6.914 -0.576 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.254 6.591 -0.324 1.00 0.00 H new ATOM 0 HG2 PRO A 84 6.664 7.458 -2.840 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.409 6.250 -2.642 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.848 8.754 -3.554 1.00 0.00 H new ATOM 0 HD3 PRO A 84 3.691 7.846 -2.602 1.00 0.00 H new ATOM 1327 N LYS A 85 7.529 9.742 0.842 1.00 0.00 N ATOM 1328 CA LYS A 85 8.791 10.446 1.034 1.00 0.00 C ATOM 1329 C LYS A 85 9.507 9.948 2.285 1.00 0.00 C ATOM 1330 O LYS A 85 8.881 9.403 3.194 1.00 0.00 O ATOM 1331 CB LYS A 85 8.548 11.954 1.138 1.00 0.00 C ATOM 1332 CG LYS A 85 7.857 12.370 2.425 1.00 0.00 C ATOM 1333 CD LYS A 85 6.344 12.330 2.284 1.00 0.00 C ATOM 1334 CE LYS A 85 5.658 13.062 3.427 1.00 0.00 C ATOM 1335 NZ LYS A 85 5.612 14.532 3.196 1.00 0.00 N ATOM 0 H LYS A 85 7.046 9.500 1.707 1.00 0.00 H new ATOM 0 HA LYS A 85 9.425 10.246 0.170 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.503 12.474 1.064 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.943 12.276 0.290 1.00 0.00 H new ATOM 0 HG2 LYS A 85 8.165 11.709 3.235 1.00 0.00 H new ATOM 0 HG3 LYS A 85 8.171 13.377 2.699 1.00 0.00 H new ATOM 0 HD2 LYS A 85 6.054 12.782 1.335 1.00 0.00 H new ATOM 0 HD3 LYS A 85 6.007 11.294 2.260 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.644 12.681 3.545 1.00 0.00 H new ATOM 0 HE3 LYS A 85 6.186 12.857 4.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 5.137 14.995 3.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 6.581 14.900 3.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 5.086 14.730 2.321 1.00 0.00 H new ATOM 1349 N ALA A 86 10.821 10.141 2.326 1.00 0.00 N ATOM 1350 CA ALA A 86 11.621 9.715 3.468 1.00 0.00 C ATOM 1351 C ALA A 86 11.279 10.528 4.712 1.00 0.00 C ATOM 1352 O ALA A 86 11.476 11.743 4.744 1.00 0.00 O ATOM 1353 CB ALA A 86 13.104 9.834 3.148 1.00 0.00 C ATOM 0 H ALA A 86 11.354 10.590 1.581 1.00 0.00 H new ATOM 0 HA ALA A 86 11.388 8.670 3.674 1.00 0.00 H new ATOM 0 HB1 ALA A 86 13.689 9.513 4.010 1.00 0.00 H new ATOM 0 HB2 ALA A 86 13.343 9.204 2.291 1.00 0.00 H new ATOM 0 HB3 ALA A 86 13.343 10.871 2.913 1.00 0.00 H new ATOM 1359 N ILE A 87 10.766 9.850 5.733 1.00 0.00 N ATOM 1360 CA ILE A 87 10.397 10.510 6.979 1.00 0.00 C ATOM 1361 C ILE A 87 11.401 10.199 8.084 1.00 0.00 C ATOM 1362 O ILE A 87 12.166 9.239 7.989 1.00 0.00 O ATOM 1363 CB ILE A 87 8.991 10.088 7.445 1.00 0.00 C ATOM 1364 CG1 ILE A 87 8.927 8.572 7.638 1.00 0.00 C ATOM 1365 CG2 ILE A 87 7.942 10.545 6.442 1.00 0.00 C ATOM 1366 CD1 ILE A 87 7.902 8.136 8.661 1.00 0.00 C ATOM 0 H ILE A 87 10.597 8.844 5.722 1.00 0.00 H new ATOM 0 HA ILE A 87 10.399 11.582 6.781 1.00 0.00 H new ATOM 0 HB ILE A 87 8.783 10.566 8.402 1.00 0.00 H new ATOM 0 HG12 ILE A 87 8.697 8.102 6.682 1.00 0.00 H new ATOM 0 HG13 ILE A 87 9.909 8.211 7.943 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.953 10.240 6.785 1.00 0.00 H new ATOM 0 HG22 ILE A 87 7.975 11.631 6.350 1.00 0.00 H new ATOM 0 HG23 ILE A 87 8.145 10.093 5.471 1.00 0.00 H new ATOM 0 HD11 ILE A 87 7.912 7.049 8.746 1.00 0.00 H new ATOM 0 HD12 ILE A 87 8.143 8.578 9.628 1.00 0.00 H new ATOM 0 HD13 ILE A 87 6.912 8.466 8.348 1.00 0.00 H new ATOM 1378 N ARG A 88 11.390 11.016 9.132 1.00 0.00 N ATOM 1379 CA ARG A 88 12.300 10.828 10.256 1.00 0.00 C ATOM 1380 C ARG A 88 13.752 10.956 9.808 1.00 0.00 C ATOM 1381 O ARG A 88 14.649 10.346 10.390 1.00 0.00 O ATOM 1382 CB ARG A 88 12.072 9.459 10.900 1.00 0.00 C ATOM 1383 CG ARG A 88 10.630 8.985 10.830 1.00 0.00 C ATOM 1384 CD ARG A 88 10.451 7.640 11.517 1.00 0.00 C ATOM 1385 NE ARG A 88 11.134 6.565 10.801 1.00 0.00 N ATOM 1386 CZ ARG A 88 11.200 5.314 11.243 1.00 0.00 C ATOM 1387 NH1 ARG A 88 10.629 4.983 12.393 1.00 0.00 N ATOM 1388 NH2 ARG A 88 11.839 4.392 10.535 1.00 0.00 N ATOM 0 H ARG A 88 10.762 11.814 9.226 1.00 0.00 H new ATOM 0 HA ARG A 88 12.095 11.607 10.991 1.00 0.00 H new ATOM 0 HB2 ARG A 88 12.711 8.725 10.409 1.00 0.00 H new ATOM 0 HB3 ARG A 88 12.381 9.502 11.944 1.00 0.00 H new ATOM 0 HG2 ARG A 88 9.980 9.724 11.299 1.00 0.00 H new ATOM 0 HG3 ARG A 88 10.322 8.906 9.787 1.00 0.00 H new ATOM 0 HD2 ARG A 88 10.835 7.699 12.535 1.00 0.00 H new ATOM 0 HD3 ARG A 88 9.388 7.409 11.590 1.00 0.00 H new ATOM 0 HE ARG A 88 11.585 6.787 9.913 1.00 0.00 H new ATOM 0 HH11 ARG A 88 10.138 5.690 12.940 1.00 0.00 H new ATOM 0 HH12 ARG A 88 10.681 4.022 12.730 1.00 0.00 H new ATOM 0 HH21 ARG A 88 12.280 4.643 9.650 1.00 0.00 H new ATOM 0 HH22 ARG A 88 11.889 3.432 10.875 1.00 0.00 H new ATOM 1402 N GLY A 89 13.978 11.754 8.768 1.00 0.00 N ATOM 1403 CA GLY A 89 15.323 11.947 8.259 1.00 0.00 C ATOM 1404 C GLY A 89 15.608 11.095 7.038 1.00 0.00 C ATOM 1405 O GLY A 89 16.042 11.604 6.005 1.00 0.00 O ATOM 0 H GLY A 89 13.253 12.270 8.269 1.00 0.00 H new ATOM 0 HA2 GLY A 89 15.465 12.998 8.006 1.00 0.00 H new ATOM 0 HA3 GLY A 89 16.042 11.707 9.042 1.00 0.00 H new ATOM 1409 N GLY A 90 15.366 9.793 7.156 1.00 0.00 N ATOM 1410 CA GLY A 90 15.607 8.890 6.047 1.00 0.00 C ATOM 1411 C GLY A 90 15.762 7.450 6.494 1.00 0.00 C ATOM 1412 O GLY A 90 16.724 6.776 6.123 1.00 0.00 O ATOM 0 H GLY A 90 15.007 9.348 8.001 1.00 0.00 H new ATOM 0 HA2 GLY A 90 14.781 8.960 5.339 1.00 0.00 H new ATOM 0 HA3 GLY A 90 16.508 9.202 5.518 1.00 0.00 H new ATOM 1416 N THR A 91 14.815 6.976 7.297 1.00 0.00 N ATOM 1417 CA THR A 91 14.852 5.608 7.799 1.00 0.00 C ATOM 1418 C THR A 91 13.610 4.833 7.374 1.00 0.00 C ATOM 1419 O THR A 91 13.658 3.616 7.193 1.00 0.00 O ATOM 1420 CB THR A 91 14.963 5.576 9.335 1.00 0.00 C ATOM 1421 OG1 THR A 91 16.215 6.135 9.747 1.00 0.00 O ATOM 1422 CG2 THR A 91 14.842 4.152 9.856 1.00 0.00 C ATOM 0 H THR A 91 14.012 7.520 7.614 1.00 0.00 H new ATOM 0 HA THR A 91 15.736 5.137 7.369 1.00 0.00 H new ATOM 0 HB THR A 91 14.147 6.168 9.749 1.00 0.00 H new ATOM 0 HG1 THR A 91 16.277 6.113 10.725 1.00 0.00 H new ATOM 0 HG21 THR A 91 14.923 4.154 10.943 1.00 0.00 H new ATOM 0 HG22 THR A 91 13.876 3.739 9.565 1.00 0.00 H new ATOM 0 HG23 THR A 91 15.640 3.541 9.434 1.00 0.00 H new ATOM 1430 N ALA A 92 12.499 5.544 7.216 1.00 0.00 N ATOM 1431 CA ALA A 92 11.245 4.923 6.809 1.00 0.00 C ATOM 1432 C ALA A 92 10.417 5.869 5.947 1.00 0.00 C ATOM 1433 O ALA A 92 10.563 7.089 6.031 1.00 0.00 O ATOM 1434 CB ALA A 92 10.450 4.489 8.032 1.00 0.00 C ATOM 0 H ALA A 92 12.442 6.552 7.364 1.00 0.00 H new ATOM 0 HA ALA A 92 11.482 4.043 6.211 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.516 4.027 7.713 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.032 3.770 8.608 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.232 5.359 8.652 1.00 0.00 H new ATOM 1440 N SER A 93 9.549 5.300 5.117 1.00 0.00 N ATOM 1441 CA SER A 93 8.701 6.093 4.235 1.00 0.00 C ATOM 1442 C SER A 93 7.257 6.097 4.729 1.00 0.00 C ATOM 1443 O SER A 93 6.843 5.213 5.477 1.00 0.00 O ATOM 1444 CB SER A 93 8.762 5.548 2.807 1.00 0.00 C ATOM 1445 OG SER A 93 8.831 4.133 2.804 1.00 0.00 O ATOM 0 H SER A 93 9.414 4.292 5.037 1.00 0.00 H new ATOM 0 HA SER A 93 9.072 7.118 4.241 1.00 0.00 H new ATOM 0 HB2 SER A 93 7.882 5.873 2.252 1.00 0.00 H new ATOM 0 HB3 SER A 93 9.632 5.959 2.294 1.00 0.00 H new ATOM 0 HG SER A 93 8.235 3.778 2.112 1.00 0.00 H new ATOM 1451 N MET A 94 6.496 7.100 4.303 1.00 0.00 N ATOM 1452 CA MET A 94 5.098 7.219 4.700 1.00 0.00 C ATOM 1453 C MET A 94 4.252 7.765 3.554 1.00 0.00 C ATOM 1454 O MET A 94 4.580 8.794 2.963 1.00 0.00 O ATOM 1455 CB MET A 94 4.969 8.129 5.923 1.00 0.00 C ATOM 1456 CG MET A 94 3.691 7.904 6.716 1.00 0.00 C ATOM 1457 SD MET A 94 3.129 9.393 7.564 1.00 0.00 S ATOM 1458 CE MET A 94 2.209 10.200 6.256 1.00 0.00 C ATOM 0 H MET A 94 6.824 7.841 3.684 1.00 0.00 H new ATOM 0 HA MET A 94 4.733 6.224 4.956 1.00 0.00 H new ATOM 0 HB2 MET A 94 5.826 7.968 6.577 1.00 0.00 H new ATOM 0 HB3 MET A 94 5.007 9.169 5.598 1.00 0.00 H new ATOM 0 HG2 MET A 94 2.907 7.556 6.043 1.00 0.00 H new ATOM 0 HG3 MET A 94 3.857 7.114 7.448 1.00 0.00 H new ATOM 0 HE1 MET A 94 1.797 11.139 6.626 1.00 0.00 H new ATOM 0 HE2 MET A 94 2.873 10.401 5.415 1.00 0.00 H new ATOM 0 HE3 MET A 94 1.396 9.551 5.929 1.00 0.00 H new ATOM 1468 N CYS A 95 3.163 7.070 3.246 1.00 0.00 N ATOM 1469 CA CYS A 95 2.270 7.485 2.170 1.00 0.00 C ATOM 1470 C CYS A 95 0.815 7.212 2.535 1.00 0.00 C ATOM 1471 O CYS A 95 0.526 6.402 3.415 1.00 0.00 O ATOM 1472 CB CYS A 95 2.628 6.757 0.873 1.00 0.00 C ATOM 1473 SG CYS A 95 1.296 6.728 -0.349 1.00 0.00 S ATOM 0 H CYS A 95 2.877 6.217 3.726 1.00 0.00 H new ATOM 0 HA CYS A 95 2.393 8.558 2.022 1.00 0.00 H new ATOM 0 HB2 CYS A 95 3.502 7.234 0.430 1.00 0.00 H new ATOM 0 HB3 CYS A 95 2.911 5.732 1.111 1.00 0.00 H new ATOM 0 HG CYS A 95 0.629 5.618 -0.238 1.00 0.00 H new ATOM 1479 N VAL A 96 -0.099 7.896 1.853 1.00 0.00 N ATOM 1480 CA VAL A 96 -1.525 7.728 2.106 1.00 0.00 C ATOM 1481 C VAL A 96 -2.273 7.380 0.824 1.00 0.00 C ATOM 1482 O VAL A 96 -1.910 7.833 -0.262 1.00 0.00 O ATOM 1483 CB VAL A 96 -2.141 9.001 2.716 1.00 0.00 C ATOM 1484 CG1 VAL A 96 -3.638 8.826 2.919 1.00 0.00 C ATOM 1485 CG2 VAL A 96 -1.453 9.348 4.028 1.00 0.00 C ATOM 0 H VAL A 96 0.123 8.571 1.121 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.626 6.908 2.817 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.988 9.827 2.022 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.055 9.736 3.351 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.115 8.628 1.959 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.818 7.989 3.593 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.900 10.250 4.446 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.574 8.524 4.731 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.392 9.519 3.848 1.00 0.00 H new ATOM 1495 N PHE A 97 -3.320 6.572 0.957 1.00 0.00 N ATOM 1496 CA PHE A 97 -4.120 6.162 -0.191 1.00 0.00 C ATOM 1497 C PHE A 97 -5.513 6.783 -0.133 1.00 0.00 C ATOM 1498 O PHE A 97 -6.219 6.658 0.868 1.00 0.00 O ATOM 1499 CB PHE A 97 -4.231 4.637 -0.244 1.00 0.00 C ATOM 1500 CG PHE A 97 -2.932 3.952 -0.556 1.00 0.00 C ATOM 1501 CD1 PHE A 97 -1.848 4.071 0.299 1.00 0.00 C ATOM 1502 CD2 PHE A 97 -2.794 3.189 -1.704 1.00 0.00 C ATOM 1503 CE1 PHE A 97 -0.651 3.442 0.013 1.00 0.00 C ATOM 1504 CE2 PHE A 97 -1.599 2.558 -1.995 1.00 0.00 C ATOM 1505 CZ PHE A 97 -0.526 2.684 -1.134 1.00 0.00 C ATOM 0 H PHE A 97 -3.634 6.188 1.848 1.00 0.00 H new ATOM 0 HA PHE A 97 -3.621 6.515 -1.094 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -4.603 4.274 0.714 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.969 4.360 -0.997 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -1.939 4.662 1.199 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -3.630 3.086 -2.380 1.00 0.00 H new ATOM 0 HE1 PHE A 97 0.187 3.544 0.687 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -1.504 1.967 -2.894 1.00 0.00 H new ATOM 0 HZ PHE A 97 0.408 2.191 -1.358 1.00 0.00 H new ATOM 1515 N ARG A 98 -5.901 7.453 -1.213 1.00 0.00 N ATOM 1516 CA ARG A 98 -7.208 8.095 -1.286 1.00 0.00 C ATOM 1517 C ARG A 98 -8.123 7.359 -2.261 1.00 0.00 C ATOM 1518 O ARG A 98 -7.661 6.783 -3.247 1.00 0.00 O ATOM 1519 CB ARG A 98 -7.060 9.556 -1.713 1.00 0.00 C ATOM 1520 CG ARG A 98 -8.346 10.170 -2.241 1.00 0.00 C ATOM 1521 CD ARG A 98 -8.310 11.689 -2.166 1.00 0.00 C ATOM 1522 NE ARG A 98 -9.565 12.288 -2.611 1.00 0.00 N ATOM 1523 CZ ARG A 98 -9.740 13.596 -2.768 1.00 0.00 C ATOM 1524 NH1 ARG A 98 -8.745 14.436 -2.518 1.00 0.00 N ATOM 1525 NH2 ARG A 98 -10.911 14.066 -3.177 1.00 0.00 N ATOM 0 H ARG A 98 -5.329 7.565 -2.050 1.00 0.00 H new ATOM 0 HA ARG A 98 -7.658 8.058 -0.294 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -6.711 10.141 -0.862 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -6.292 9.624 -2.483 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -8.501 9.859 -3.274 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -9.192 9.796 -1.665 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -8.105 11.997 -1.141 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -7.491 12.063 -2.781 1.00 0.00 H new ATOM 0 HE ARG A 98 -10.350 11.669 -2.812 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -7.843 14.079 -2.204 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -8.882 15.439 -2.639 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -11.679 13.423 -3.371 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -11.044 15.070 -3.297 1.00 0.00 H new ATOM 1539 N HIS A 99 -9.421 7.381 -1.978 1.00 0.00 N ATOM 1540 CA HIS A 99 -10.401 6.716 -2.830 1.00 0.00 C ATOM 1541 C HIS A 99 -10.773 7.596 -4.019 1.00 0.00 C ATOM 1542 O HIS A 99 -10.736 8.825 -3.931 1.00 0.00 O ATOM 1543 CB HIS A 99 -11.654 6.367 -2.027 1.00 0.00 C ATOM 1544 CG HIS A 99 -12.820 5.971 -2.878 1.00 0.00 C ATOM 1545 ND1 HIS A 99 -13.677 6.885 -3.454 1.00 0.00 N ATOM 1546 CD2 HIS A 99 -13.269 4.750 -3.252 1.00 0.00 C ATOM 1547 CE1 HIS A 99 -14.603 6.244 -4.144 1.00 0.00 C ATOM 1548 NE2 HIS A 99 -14.378 4.947 -4.038 1.00 0.00 N ATOM 0 H HIS A 99 -9.819 7.852 -1.166 1.00 0.00 H new ATOM 0 HA HIS A 99 -9.953 5.797 -3.207 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -11.421 5.552 -1.342 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -11.935 7.225 -1.417 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -12.836 3.798 -2.983 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -15.407 6.702 -4.700 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -14.937 4.211 -4.470 1.00 0.00 H new