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 Set 1.1: A 73 THR OG1 : rot -55:sc= 1.24 USER MOD Set 1.2: A 74 MET CE :methyl -115:sc= -0.305 (180deg=-2.66) USER MOD Set 2.1: A 26 GLN : amide:sc= -0.0312 K(o=-0.031,f=0.9) USER MOD Set 2.2: A 69 GLN : amide:sc=0.000588 K(o=-0.031,f=-1.6) USER MOD Single : A 15 THR OG1 : rot 26:sc= 0.106 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc=-0.00152 (180deg=-0.00152) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 72:sc= 0.708 USER MOD Single : A 23 ASN : amide:sc= -0.0647 X(o=-0.065,f=-0.26) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) 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 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.596 K(o=-0.6,f=-2.3) USER MOD Single : A 37 GLN : amide:sc= -0.0589 X(o=-0.059,f=-0.14) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.33) 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= -0.0611 K(o=-0.061,f=-2.6!) USER MOD Single : A 47 GLN : amide:sc= -2.14 K(o=-2.1,f=-3.1!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 143:sc= -2.85! (180deg=-4.36!) USER MOD Single : A 63 THR OG1 : rot 22:sc= 0.15 USER MOD Single : A 68 ASN : amide:sc= -0.316 X(o=-0.32,f=-0.19) USER MOD Single : A 72 GLN : amide:sc= -0.0337 K(o=-0.034,f=-1.1) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot -170:sc= -0.43 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0236) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 39:sc= 0.67 USER MOD Single : A 94 MET CE :methyl -110:sc= -0.788 (180deg=-3.01!) USER MOD Single : A 95 CYS SG : rot 67:sc= -0.311 USER MOD Single : A 99 HIS : no HD1:sc= -0.576 K(o=-0.58,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 168 N THR A 15 -9.656 6.350 11.342 1.00 0.00 N ATOM 169 CA THR A 15 -8.432 6.264 10.556 1.00 0.00 C ATOM 170 C THR A 15 -7.727 4.931 10.781 1.00 0.00 C ATOM 171 O THR A 15 -7.588 4.474 11.916 1.00 0.00 O ATOM 172 CB THR A 15 -7.461 7.409 10.899 1.00 0.00 C ATOM 173 OG1 THR A 15 -8.119 8.672 10.745 1.00 0.00 O ATOM 174 CG2 THR A 15 -6.230 7.361 10.007 1.00 0.00 C ATOM 0 HA THR A 15 -8.723 6.347 9.509 1.00 0.00 H new ATOM 0 HB THR A 15 -7.144 7.288 11.935 1.00 0.00 H new ATOM 0 HG1 THR A 15 -9.085 8.554 10.859 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.559 8.179 10.268 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.715 6.411 10.148 1.00 0.00 H new ATOM 0 HG23 THR A 15 -6.532 7.458 8.964 1.00 0.00 H new ATOM 182 N LYS A 16 -7.283 4.310 9.694 1.00 0.00 N ATOM 183 CA LYS A 16 -6.590 3.030 9.772 1.00 0.00 C ATOM 184 C LYS A 16 -5.285 3.068 8.983 1.00 0.00 C ATOM 185 O LYS A 16 -5.284 3.328 7.781 1.00 0.00 O ATOM 186 CB LYS A 16 -7.486 1.908 9.241 1.00 0.00 C ATOM 187 CG LYS A 16 -8.799 1.772 9.993 1.00 0.00 C ATOM 188 CD LYS A 16 -8.659 0.860 11.200 1.00 0.00 C ATOM 189 CE LYS A 16 -10.009 0.565 11.836 1.00 0.00 C ATOM 190 NZ LYS A 16 -10.764 -0.471 11.079 1.00 0.00 N ATOM 0 H LYS A 16 -7.391 4.673 8.747 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.356 2.836 10.819 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -7.697 2.091 8.187 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.944 0.964 9.298 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.137 2.756 10.317 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -9.563 1.377 9.324 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.186 -0.074 10.898 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.003 1.326 11.935 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.861 0.229 12.862 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.597 1.482 11.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.678 -0.644 11.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.927 -0.140 10.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.215 -1.354 11.057 1.00 0.00 H new ATOM 204 N GLU A 17 -4.176 2.806 9.669 1.00 0.00 N ATOM 205 CA GLU A 17 -2.865 2.811 9.031 1.00 0.00 C ATOM 206 C GLU A 17 -2.259 1.410 9.023 1.00 0.00 C ATOM 207 O GLU A 17 -2.777 0.494 9.663 1.00 0.00 O ATOM 208 CB GLU A 17 -1.926 3.781 9.751 1.00 0.00 C ATOM 209 CG GLU A 17 -2.119 3.810 11.258 1.00 0.00 C ATOM 210 CD GLU A 17 -1.792 2.482 11.913 1.00 0.00 C ATOM 211 OE1 GLU A 17 -0.646 2.010 11.756 1.00 0.00 O ATOM 212 OE2 GLU A 17 -2.681 1.914 12.581 1.00 0.00 O ATOM 0 H GLU A 17 -4.160 2.588 10.665 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.992 3.139 7.999 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.895 3.506 9.531 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -2.080 4.784 9.354 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.487 4.588 11.687 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.151 4.078 11.483 1.00 0.00 H new ATOM 219 N LEU A 18 -1.160 1.252 8.295 1.00 0.00 N ATOM 220 CA LEU A 18 -0.482 -0.036 8.203 1.00 0.00 C ATOM 221 C LEU A 18 1.016 0.151 7.983 1.00 0.00 C ATOM 222 O LEU A 18 1.439 1.032 7.234 1.00 0.00 O ATOM 223 CB LEU A 18 -1.076 -0.867 7.064 1.00 0.00 C ATOM 224 CG LEU A 18 -0.889 -2.381 7.170 1.00 0.00 C ATOM 225 CD1 LEU A 18 -1.918 -2.981 8.115 1.00 0.00 C ATOM 226 CD2 LEU A 18 -0.983 -3.027 5.795 1.00 0.00 C ATOM 0 H LEU A 18 -0.719 2.000 7.760 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.629 -0.564 9.145 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.144 -0.656 7.006 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.633 -0.531 6.126 1.00 0.00 H new ATOM 0 HG LEU A 18 0.104 -2.578 7.575 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.769 -4.059 8.178 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.803 -2.541 9.105 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.920 -2.774 7.740 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.848 -4.104 5.889 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.962 -2.821 5.362 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.207 -2.619 5.148 1.00 0.00 H new ATOM 238 N VAL A 19 1.814 -0.685 8.640 1.00 0.00 N ATOM 239 CA VAL A 19 3.265 -0.614 8.514 1.00 0.00 C ATOM 240 C VAL A 19 3.894 -1.999 8.611 1.00 0.00 C ATOM 241 O VAL A 19 3.417 -2.859 9.352 1.00 0.00 O ATOM 242 CB VAL A 19 3.879 0.293 9.597 1.00 0.00 C ATOM 243 CG1 VAL A 19 3.281 -0.023 10.960 1.00 0.00 C ATOM 244 CG2 VAL A 19 5.393 0.143 9.622 1.00 0.00 C ATOM 0 H VAL A 19 1.480 -1.419 9.265 1.00 0.00 H new ATOM 0 HA VAL A 19 3.476 -0.190 7.532 1.00 0.00 H new ATOM 0 HB VAL A 19 3.644 1.329 9.355 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.727 0.627 11.713 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.204 0.140 10.931 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.484 -1.063 11.214 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.810 0.791 10.393 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.652 -0.893 9.839 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.802 0.424 8.652 1.00 0.00 H new ATOM 254 N PHE A 20 4.967 -2.210 7.856 1.00 0.00 N ATOM 255 CA PHE A 20 5.662 -3.492 7.856 1.00 0.00 C ATOM 256 C PHE A 20 7.107 -3.328 7.395 1.00 0.00 C ATOM 257 O PHE A 20 7.497 -2.268 6.905 1.00 0.00 O ATOM 258 CB PHE A 20 4.936 -4.489 6.950 1.00 0.00 C ATOM 259 CG PHE A 20 4.358 -3.864 5.713 1.00 0.00 C ATOM 260 CD1 PHE A 20 3.094 -3.299 5.732 1.00 0.00 C ATOM 261 CD2 PHE A 20 5.080 -3.842 4.530 1.00 0.00 C ATOM 262 CE1 PHE A 20 2.559 -2.724 4.595 1.00 0.00 C ATOM 263 CE2 PHE A 20 4.551 -3.268 3.389 1.00 0.00 C ATOM 264 CZ PHE A 20 3.290 -2.707 3.422 1.00 0.00 C ATOM 0 H PHE A 20 5.374 -1.510 7.236 1.00 0.00 H new ATOM 0 HA PHE A 20 5.666 -3.875 8.877 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.631 -5.276 6.659 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.135 -4.965 7.515 1.00 0.00 H new ATOM 0 HD1 PHE A 20 2.519 -3.308 6.646 1.00 0.00 H new ATOM 0 HD2 PHE A 20 6.067 -4.278 4.499 1.00 0.00 H new ATOM 0 HE1 PHE A 20 1.571 -2.289 4.623 1.00 0.00 H new ATOM 0 HE2 PHE A 20 5.123 -3.258 2.473 1.00 0.00 H new ATOM 0 HZ PHE A 20 2.875 -2.256 2.533 1.00 0.00 H new ATOM 274 N SER A 21 7.898 -4.384 7.558 1.00 0.00 N ATOM 275 CA SER A 21 9.301 -4.356 7.164 1.00 0.00 C ATOM 276 C SER A 21 9.444 -4.514 5.653 1.00 0.00 C ATOM 277 O SER A 21 8.721 -5.289 5.028 1.00 0.00 O ATOM 278 CB SER A 21 10.076 -5.465 7.879 1.00 0.00 C ATOM 279 OG SER A 21 9.657 -6.745 7.439 1.00 0.00 O ATOM 0 H SER A 21 7.591 -5.269 7.960 1.00 0.00 H new ATOM 0 HA SER A 21 9.714 -3.389 7.452 1.00 0.00 H new ATOM 0 HB2 SER A 21 11.143 -5.345 7.694 1.00 0.00 H new ATOM 0 HB3 SER A 21 9.928 -5.381 8.956 1.00 0.00 H new ATOM 0 HG SER A 21 10.168 -7.436 7.909 1.00 0.00 H new ATOM 285 N SER A 22 10.382 -3.772 5.073 1.00 0.00 N ATOM 286 CA SER A 22 10.619 -3.826 3.635 1.00 0.00 C ATOM 287 C SER A 22 10.871 -5.260 3.179 1.00 0.00 C ATOM 288 O SER A 22 10.810 -5.564 1.989 1.00 0.00 O ATOM 289 CB SER A 22 11.810 -2.942 3.260 1.00 0.00 C ATOM 290 OG SER A 22 11.547 -1.581 3.554 1.00 0.00 O ATOM 0 H SER A 22 10.990 -3.126 5.577 1.00 0.00 H new ATOM 0 HA SER A 22 9.727 -3.455 3.130 1.00 0.00 H new ATOM 0 HB2 SER A 22 12.696 -3.270 3.804 1.00 0.00 H new ATOM 0 HB3 SER A 22 12.029 -3.052 2.198 1.00 0.00 H new ATOM 0 HG SER A 22 11.558 -1.448 4.525 1.00 0.00 H new ATOM 296 N ASN A 23 11.156 -6.137 4.136 1.00 0.00 N ATOM 297 CA ASN A 23 11.418 -7.539 3.834 1.00 0.00 C ATOM 298 C ASN A 23 10.175 -8.390 4.075 1.00 0.00 C ATOM 299 O ASN A 23 10.265 -9.608 4.232 1.00 0.00 O ATOM 300 CB ASN A 23 12.578 -8.058 4.688 1.00 0.00 C ATOM 301 CG ASN A 23 13.262 -9.259 4.064 1.00 0.00 C ATOM 302 OD1 ASN A 23 12.944 -10.404 4.384 1.00 0.00 O ATOM 303 ND2 ASN A 23 14.209 -9.002 3.169 1.00 0.00 N ATOM 0 H ASN A 23 11.211 -5.901 5.127 1.00 0.00 H new ATOM 0 HA ASN A 23 11.688 -7.613 2.781 1.00 0.00 H new ATOM 0 HB2 ASN A 23 13.307 -7.260 4.829 1.00 0.00 H new ATOM 0 HB3 ASN A 23 12.206 -8.328 5.676 1.00 0.00 H new ATOM 0 HD21 ASN A 23 14.705 -9.770 2.717 1.00 0.00 H new ATOM 0 HD22 ASN A 23 14.440 -8.037 2.934 1.00 0.00 H new ATOM 310 N ILE A 24 9.016 -7.740 4.102 1.00 0.00 N ATOM 311 CA ILE A 24 7.755 -8.437 4.321 1.00 0.00 C ATOM 312 C ILE A 24 7.572 -9.571 3.319 1.00 0.00 C ATOM 313 O ILE A 24 7.240 -10.695 3.692 1.00 0.00 O ATOM 314 CB ILE A 24 6.556 -7.476 4.217 1.00 0.00 C ATOM 315 CG1 ILE A 24 5.242 -8.254 4.309 1.00 0.00 C ATOM 316 CG2 ILE A 24 6.620 -6.687 2.918 1.00 0.00 C ATOM 317 CD1 ILE A 24 4.070 -7.410 4.759 1.00 0.00 C ATOM 0 H ILE A 24 8.925 -6.732 3.975 1.00 0.00 H new ATOM 0 HA ILE A 24 7.793 -8.850 5.329 1.00 0.00 H new ATOM 0 HB ILE A 24 6.600 -6.773 5.049 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.016 -8.685 3.334 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.369 -9.085 5.003 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.766 -6.012 2.860 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.543 -6.107 2.889 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.597 -7.375 2.073 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.172 -8.027 4.801 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.275 -7.000 5.748 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.917 -6.594 4.053 1.00 0.00 H new ATOM 329 N GLY A 25 7.794 -9.268 2.043 1.00 0.00 N ATOM 330 CA GLY A 25 7.650 -10.273 1.007 1.00 0.00 C ATOM 331 C GLY A 25 6.409 -10.062 0.162 1.00 0.00 C ATOM 332 O GLY A 25 5.517 -9.302 0.539 1.00 0.00 O ATOM 0 H GLY A 25 8.071 -8.345 1.709 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.530 -10.256 0.364 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.609 -11.261 1.466 1.00 0.00 H new ATOM 336 N GLN A 26 6.353 -10.734 -0.983 1.00 0.00 N ATOM 337 CA GLN A 26 5.213 -10.613 -1.884 1.00 0.00 C ATOM 338 C GLN A 26 4.035 -11.444 -1.386 1.00 0.00 C ATOM 339 O GLN A 26 2.880 -11.033 -1.500 1.00 0.00 O ATOM 340 CB GLN A 26 5.603 -11.054 -3.296 1.00 0.00 C ATOM 341 CG GLN A 26 4.659 -10.547 -4.374 1.00 0.00 C ATOM 342 CD GLN A 26 4.833 -9.068 -4.655 1.00 0.00 C ATOM 343 OE1 GLN A 26 4.026 -8.243 -4.227 1.00 0.00 O ATOM 344 NE2 GLN A 26 5.893 -8.723 -5.378 1.00 0.00 N ATOM 0 H GLN A 26 7.083 -11.367 -1.309 1.00 0.00 H new ATOM 0 HA GLN A 26 4.911 -9.566 -1.909 1.00 0.00 H new ATOM 0 HB2 GLN A 26 6.611 -10.701 -3.512 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.632 -12.143 -3.333 1.00 0.00 H new ATOM 0 HG2 GLN A 26 4.827 -11.109 -5.292 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.630 -10.736 -4.068 1.00 0.00 H new ATOM 0 HE21 GLN A 26 6.537 -9.440 -5.713 1.00 0.00 H new ATOM 0 HE22 GLN A 26 6.063 -7.742 -5.598 1.00 0.00 H new ATOM 353 N HIS A 27 4.335 -12.616 -0.835 1.00 0.00 N ATOM 354 CA HIS A 27 3.301 -13.506 -0.319 1.00 0.00 C ATOM 355 C HIS A 27 2.609 -12.889 0.892 1.00 0.00 C ATOM 356 O HIS A 27 1.396 -13.017 1.058 1.00 0.00 O ATOM 357 CB HIS A 27 3.904 -14.859 0.057 1.00 0.00 C ATOM 358 CG HIS A 27 4.235 -15.717 -1.125 1.00 0.00 C ATOM 359 ND1 HIS A 27 3.275 -16.313 -1.916 1.00 0.00 N ATOM 360 CD2 HIS A 27 5.429 -16.077 -1.651 1.00 0.00 C ATOM 361 CE1 HIS A 27 3.864 -17.003 -2.875 1.00 0.00 C ATOM 362 NE2 HIS A 27 5.171 -16.877 -2.737 1.00 0.00 N ATOM 0 H HIS A 27 5.286 -12.971 -0.734 1.00 0.00 H new ATOM 0 HA HIS A 27 2.559 -13.654 -1.103 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.810 -14.694 0.641 1.00 0.00 H new ATOM 0 HB3 HIS A 27 3.204 -15.394 0.699 1.00 0.00 H new ATOM 0 HD2 HIS A 27 6.403 -15.789 -1.285 1.00 0.00 H new ATOM 0 HE1 HIS A 27 3.362 -17.574 -3.642 1.00 0.00 H new ATOM 0 HE2 HIS A 27 5.875 -17.304 -3.339 1.00 0.00 H new ATOM 371 N ASP A 28 3.388 -12.222 1.737 1.00 0.00 N ATOM 372 CA ASP A 28 2.850 -11.585 2.933 1.00 0.00 C ATOM 373 C ASP A 28 2.117 -10.295 2.579 1.00 0.00 C ATOM 374 O ASP A 28 0.955 -10.108 2.943 1.00 0.00 O ATOM 375 CB ASP A 28 3.972 -11.292 3.929 1.00 0.00 C ATOM 376 CG ASP A 28 4.576 -12.556 4.510 1.00 0.00 C ATOM 377 OD1 ASP A 28 3.999 -13.099 5.476 1.00 0.00 O ATOM 378 OD2 ASP A 28 5.624 -13.002 3.999 1.00 0.00 O ATOM 0 H ASP A 28 4.394 -12.109 1.615 1.00 0.00 H new ATOM 0 HA ASP A 28 2.138 -12.272 3.391 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.752 -10.715 3.433 1.00 0.00 H new ATOM 0 HB3 ASP A 28 3.583 -10.674 4.738 1.00 0.00 H new ATOM 383 N LEU A 29 2.803 -9.407 1.869 1.00 0.00 N ATOM 384 CA LEU A 29 2.218 -8.132 1.466 1.00 0.00 C ATOM 385 C LEU A 29 0.860 -8.342 0.804 1.00 0.00 C ATOM 386 O LEU A 29 -0.062 -7.547 0.991 1.00 0.00 O ATOM 387 CB LEU A 29 3.158 -7.397 0.509 1.00 0.00 C ATOM 388 CG LEU A 29 2.677 -6.034 0.011 1.00 0.00 C ATOM 389 CD1 LEU A 29 2.568 -5.052 1.168 1.00 0.00 C ATOM 390 CD2 LEU A 29 3.614 -5.496 -1.061 1.00 0.00 C ATOM 0 H LEU A 29 3.765 -9.546 1.560 1.00 0.00 H new ATOM 0 HA LEU A 29 2.075 -7.526 2.361 1.00 0.00 H new ATOM 0 HB2 LEU A 29 4.118 -7.261 1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.335 -8.036 -0.356 1.00 0.00 H new ATOM 0 HG LEU A 29 1.687 -6.158 -0.429 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.224 -4.087 0.795 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.857 -5.432 1.902 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.545 -4.933 1.637 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.256 -4.525 -1.404 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.616 -5.387 -0.647 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.642 -6.190 -1.901 1.00 0.00 H new ATOM 402 N ASP A 30 0.744 -9.416 0.031 1.00 0.00 N ATOM 403 CA ASP A 30 -0.502 -9.732 -0.657 1.00 0.00 C ATOM 404 C ASP A 30 -1.699 -9.525 0.266 1.00 0.00 C ATOM 405 O ASP A 30 -2.611 -8.757 -0.044 1.00 0.00 O ATOM 406 CB ASP A 30 -0.477 -11.174 -1.165 1.00 0.00 C ATOM 407 CG ASP A 30 -1.493 -11.418 -2.264 1.00 0.00 C ATOM 408 OD1 ASP A 30 -1.167 -11.161 -3.442 1.00 0.00 O ATOM 409 OD2 ASP A 30 -2.614 -11.868 -1.946 1.00 0.00 O ATOM 0 H ASP A 30 1.498 -10.083 -0.135 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.601 -9.057 -1.507 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.520 -11.408 -1.538 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.674 -11.852 -0.335 1.00 0.00 H new ATOM 414 N THR A 31 -1.692 -10.216 1.401 1.00 0.00 N ATOM 415 CA THR A 31 -2.777 -10.110 2.368 1.00 0.00 C ATOM 416 C THR A 31 -3.003 -8.661 2.784 1.00 0.00 C ATOM 417 O THR A 31 -4.112 -8.138 2.672 1.00 0.00 O ATOM 418 CB THR A 31 -2.495 -10.955 3.624 1.00 0.00 C ATOM 419 OG1 THR A 31 -2.319 -12.329 3.261 1.00 0.00 O ATOM 420 CG2 THR A 31 -3.634 -10.833 4.626 1.00 0.00 C ATOM 0 H THR A 31 -0.946 -10.856 1.673 1.00 0.00 H new ATOM 0 HA THR A 31 -3.674 -10.489 1.879 1.00 0.00 H new ATOM 0 HB THR A 31 -1.582 -10.582 4.088 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.138 -12.859 4.065 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.412 -11.439 5.505 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.747 -9.790 4.923 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.560 -11.183 4.169 1.00 0.00 H new ATOM 428 N LYS A 32 -1.945 -8.017 3.265 1.00 0.00 N ATOM 429 CA LYS A 32 -2.027 -6.627 3.697 1.00 0.00 C ATOM 430 C LYS A 32 -2.876 -5.806 2.731 1.00 0.00 C ATOM 431 O LYS A 32 -3.800 -5.104 3.144 1.00 0.00 O ATOM 432 CB LYS A 32 -0.626 -6.021 3.802 1.00 0.00 C ATOM 433 CG LYS A 32 0.298 -6.782 4.737 1.00 0.00 C ATOM 434 CD LYS A 32 0.179 -6.280 6.167 1.00 0.00 C ATOM 435 CE LYS A 32 1.449 -6.552 6.959 1.00 0.00 C ATOM 436 NZ LYS A 32 1.239 -6.371 8.422 1.00 0.00 N ATOM 0 H LYS A 32 -1.020 -8.436 3.365 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.501 -6.605 4.678 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.178 -5.989 2.809 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.710 -4.991 4.147 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.058 -7.845 4.702 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.328 -6.676 4.398 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.026 -5.210 6.162 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.667 -6.765 6.655 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.788 -7.569 6.764 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.239 -5.882 6.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 2.127 -6.565 8.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.940 -5.393 8.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.503 -7.028 8.751 1.00 0.00 H new ATOM 450 N SER A 33 -2.559 -5.900 1.444 1.00 0.00 N ATOM 451 CA SER A 33 -3.291 -5.164 0.420 1.00 0.00 C ATOM 452 C SER A 33 -4.797 -5.300 0.627 1.00 0.00 C ATOM 453 O SER A 33 -5.509 -4.305 0.762 1.00 0.00 O ATOM 454 CB SER A 33 -2.909 -5.669 -0.973 1.00 0.00 C ATOM 455 OG SER A 33 -1.581 -5.298 -1.302 1.00 0.00 O ATOM 0 H SER A 33 -1.800 -6.479 1.085 1.00 0.00 H new ATOM 0 HA SER A 33 -3.023 -4.111 0.503 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.007 -6.754 -1.010 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.598 -5.262 -1.713 1.00 0.00 H new ATOM 0 HG SER A 33 -1.360 -5.633 -2.196 1.00 0.00 H new ATOM 461 N LYS A 34 -5.275 -6.539 0.650 1.00 0.00 N ATOM 462 CA LYS A 34 -6.696 -6.808 0.841 1.00 0.00 C ATOM 463 C LYS A 34 -7.222 -6.097 2.083 1.00 0.00 C ATOM 464 O LYS A 34 -8.306 -5.516 2.063 1.00 0.00 O ATOM 465 CB LYS A 34 -6.939 -8.314 0.961 1.00 0.00 C ATOM 466 CG LYS A 34 -6.599 -9.088 -0.302 1.00 0.00 C ATOM 467 CD LYS A 34 -6.199 -10.520 0.013 1.00 0.00 C ATOM 468 CE LYS A 34 -7.414 -11.430 0.108 1.00 0.00 C ATOM 469 NZ LYS A 34 -7.051 -12.862 -0.079 1.00 0.00 N ATOM 0 H LYS A 34 -4.699 -7.374 0.539 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.232 -6.428 -0.028 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.345 -8.705 1.787 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.986 -8.486 1.212 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -7.459 -9.088 -0.972 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.785 -8.589 -0.828 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -5.526 -10.889 -0.761 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.649 -10.547 0.953 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.890 -11.300 1.080 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.145 -11.139 -0.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -7.906 -13.449 -0.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.620 -12.991 -1.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -6.373 -13.147 0.656 1.00 0.00 H new ATOM 483 N GLN A 35 -6.446 -6.147 3.161 1.00 0.00 N ATOM 484 CA GLN A 35 -6.835 -5.506 4.412 1.00 0.00 C ATOM 485 C GLN A 35 -7.009 -4.003 4.222 1.00 0.00 C ATOM 486 O GLN A 35 -8.000 -3.422 4.666 1.00 0.00 O ATOM 487 CB GLN A 35 -5.790 -5.778 5.495 1.00 0.00 C ATOM 488 CG GLN A 35 -6.059 -7.041 6.297 1.00 0.00 C ATOM 489 CD GLN A 35 -7.409 -7.018 6.987 1.00 0.00 C ATOM 490 OE1 GLN A 35 -8.067 -5.979 7.053 1.00 0.00 O ATOM 491 NE2 GLN A 35 -7.829 -8.166 7.506 1.00 0.00 N ATOM 0 H GLN A 35 -5.545 -6.624 3.193 1.00 0.00 H new ATOM 0 HA GLN A 35 -7.790 -5.927 4.725 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.808 -5.856 5.029 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -5.754 -4.927 6.175 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -6.009 -7.905 5.635 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -5.275 -7.166 7.044 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -7.251 -9.003 7.428 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -8.730 -8.211 7.983 1.00 0.00 H new ATOM 500 N ILE A 36 -6.040 -3.379 3.561 1.00 0.00 N ATOM 501 CA ILE A 36 -6.087 -1.943 3.313 1.00 0.00 C ATOM 502 C ILE A 36 -7.322 -1.566 2.502 1.00 0.00 C ATOM 503 O ILE A 36 -8.051 -0.641 2.858 1.00 0.00 O ATOM 504 CB ILE A 36 -4.829 -1.460 2.567 1.00 0.00 C ATOM 505 CG1 ILE A 36 -3.604 -1.545 3.480 1.00 0.00 C ATOM 506 CG2 ILE A 36 -5.025 -0.036 2.066 1.00 0.00 C ATOM 507 CD1 ILE A 36 -2.290 -1.448 2.737 1.00 0.00 C ATOM 0 H ILE A 36 -5.213 -3.845 3.188 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.132 -1.455 4.287 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.663 -2.108 1.706 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.655 -0.745 4.218 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.634 -2.487 4.028 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.128 0.292 1.541 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.876 -0.004 1.386 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.212 0.625 2.912 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.465 -1.516 3.446 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.218 -2.264 2.018 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.239 -0.495 2.211 1.00 0.00 H new ATOM 519 N GLN A 37 -7.551 -2.290 1.411 1.00 0.00 N ATOM 520 CA GLN A 37 -8.699 -2.031 0.550 1.00 0.00 C ATOM 521 C GLN A 37 -9.968 -1.847 1.376 1.00 0.00 C ATOM 522 O GLN A 37 -10.703 -0.877 1.192 1.00 0.00 O ATOM 523 CB GLN A 37 -8.885 -3.178 -0.445 1.00 0.00 C ATOM 524 CG GLN A 37 -9.586 -2.762 -1.728 1.00 0.00 C ATOM 525 CD GLN A 37 -9.779 -3.919 -2.689 1.00 0.00 C ATOM 526 OE1 GLN A 37 -10.217 -5.001 -2.296 1.00 0.00 O ATOM 527 NE2 GLN A 37 -9.453 -3.697 -3.957 1.00 0.00 N ATOM 0 H GLN A 37 -6.957 -3.060 1.103 1.00 0.00 H new ATOM 0 HA GLN A 37 -8.509 -1.109 -0.000 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.909 -3.595 -0.693 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -9.459 -3.972 0.032 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.557 -2.332 -1.484 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -9.005 -1.981 -2.218 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -9.094 -2.785 -4.239 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.562 -4.438 -4.649 1.00 0.00 H new ATOM 536 N GLN A 38 -10.218 -2.784 2.285 1.00 0.00 N ATOM 537 CA GLN A 38 -11.399 -2.724 3.137 1.00 0.00 C ATOM 538 C GLN A 38 -11.591 -1.321 3.704 1.00 0.00 C ATOM 539 O GLN A 38 -12.720 -0.863 3.883 1.00 0.00 O ATOM 540 CB GLN A 38 -11.282 -3.736 4.278 1.00 0.00 C ATOM 541 CG GLN A 38 -11.728 -5.138 3.897 1.00 0.00 C ATOM 542 CD GLN A 38 -11.823 -6.066 5.091 1.00 0.00 C ATOM 543 OE1 GLN A 38 -11.134 -5.878 6.095 1.00 0.00 O ATOM 544 NE2 GLN A 38 -12.679 -7.076 4.990 1.00 0.00 N ATOM 0 H GLN A 38 -9.619 -3.593 2.450 1.00 0.00 H new ATOM 0 HA GLN A 38 -12.268 -2.972 2.528 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.246 -3.773 4.615 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -11.880 -3.390 5.121 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -12.699 -5.085 3.405 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.027 -5.554 3.174 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -13.230 -7.194 4.140 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -12.786 -7.733 5.763 1.00 0.00 H new ATOM 553 N TRP A 39 -10.483 -0.645 3.984 1.00 0.00 N ATOM 554 CA TRP A 39 -10.530 0.706 4.531 1.00 0.00 C ATOM 555 C TRP A 39 -10.931 1.714 3.459 1.00 0.00 C ATOM 556 O TRP A 39 -11.990 2.336 3.545 1.00 0.00 O ATOM 557 CB TRP A 39 -9.172 1.086 5.123 1.00 0.00 C ATOM 558 CG TRP A 39 -8.813 0.293 6.343 1.00 0.00 C ATOM 559 CD1 TRP A 39 -9.665 -0.143 7.317 1.00 0.00 C ATOM 560 CD2 TRP A 39 -7.506 -0.157 6.719 1.00 0.00 C ATOM 561 NE1 TRP A 39 -8.966 -0.837 8.276 1.00 0.00 N ATOM 562 CE2 TRP A 39 -7.641 -0.860 7.931 1.00 0.00 C ATOM 563 CE3 TRP A 39 -6.237 -0.035 6.148 1.00 0.00 C ATOM 564 CZ2 TRP A 39 -6.553 -1.437 8.581 1.00 0.00 C ATOM 565 CZ3 TRP A 39 -5.158 -0.608 6.794 1.00 0.00 C ATOM 566 CH2 TRP A 39 -5.322 -1.303 8.000 1.00 0.00 C ATOM 0 H TRP A 39 -9.541 -1.010 3.841 1.00 0.00 H new ATOM 0 HA TRP A 39 -11.281 0.725 5.321 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -8.401 0.943 4.366 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -9.178 2.146 5.376 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -10.731 0.032 7.332 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -9.369 -1.265 9.109 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -6.102 0.498 5.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -6.677 -1.972 9.511 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -4.172 -0.519 6.362 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -4.459 -1.741 8.480 1.00 0.00 H new ATOM 577 N ILE A 40 -10.080 1.869 2.451 1.00 0.00 N ATOM 578 CA ILE A 40 -10.347 2.801 1.362 1.00 0.00 C ATOM 579 C ILE A 40 -11.827 2.807 0.996 1.00 0.00 C ATOM 580 O ILE A 40 -12.378 3.840 0.617 1.00 0.00 O ATOM 581 CB ILE A 40 -9.521 2.454 0.109 1.00 0.00 C ATOM 582 CG1 ILE A 40 -8.025 2.518 0.424 1.00 0.00 C ATOM 583 CG2 ILE A 40 -9.869 3.399 -1.032 1.00 0.00 C ATOM 584 CD1 ILE A 40 -7.496 3.929 0.558 1.00 0.00 C ATOM 0 H ILE A 40 -9.199 1.361 2.365 1.00 0.00 H new ATOM 0 HA ILE A 40 -10.058 3.791 1.715 1.00 0.00 H new ATOM 0 HB ILE A 40 -9.765 1.437 -0.200 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -7.834 1.977 1.351 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -7.474 2.005 -0.364 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -9.278 3.142 -1.911 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -10.929 3.309 -1.269 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -9.650 4.425 -0.735 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.430 3.898 0.781 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.656 4.468 -0.376 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -8.021 4.439 1.365 1.00 0.00 H new ATOM 596 N GLU A 41 -12.466 1.647 1.114 1.00 0.00 N ATOM 597 CA GLU A 41 -13.883 1.520 0.796 1.00 0.00 C ATOM 598 C GLU A 41 -14.692 2.627 1.466 1.00 0.00 C ATOM 599 O GLU A 41 -15.490 3.307 0.820 1.00 0.00 O ATOM 600 CB GLU A 41 -14.407 0.152 1.237 1.00 0.00 C ATOM 601 CG GLU A 41 -14.229 -0.935 0.190 1.00 0.00 C ATOM 602 CD GLU A 41 -15.276 -0.868 -0.904 1.00 0.00 C ATOM 603 OE1 GLU A 41 -15.280 0.125 -1.662 1.00 0.00 O ATOM 604 OE2 GLU A 41 -16.092 -1.808 -1.003 1.00 0.00 O ATOM 0 H GLU A 41 -12.025 0.782 1.427 1.00 0.00 H new ATOM 0 HA GLU A 41 -13.997 1.613 -0.284 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -13.893 -0.147 2.150 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -15.466 0.239 1.481 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -13.238 -0.847 -0.255 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -14.276 -1.911 0.673 1.00 0.00 H new ATOM 611 N LYS A 42 -14.481 2.802 2.766 1.00 0.00 N ATOM 612 CA LYS A 42 -15.189 3.826 3.525 1.00 0.00 C ATOM 613 C LYS A 42 -14.470 5.168 3.431 1.00 0.00 C ATOM 614 O LYS A 42 -14.608 6.021 4.308 1.00 0.00 O ATOM 615 CB LYS A 42 -15.316 3.406 4.991 1.00 0.00 C ATOM 616 CG LYS A 42 -16.325 2.294 5.220 1.00 0.00 C ATOM 617 CD LYS A 42 -16.173 1.677 6.600 1.00 0.00 C ATOM 618 CE LYS A 42 -17.128 0.511 6.799 1.00 0.00 C ATOM 619 NZ LYS A 42 -16.694 -0.379 7.911 1.00 0.00 N ATOM 0 H LYS A 42 -13.825 2.248 3.316 1.00 0.00 H new ATOM 0 HA LYS A 42 -16.185 3.937 3.097 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.341 3.080 5.353 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -15.603 4.274 5.585 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -17.335 2.689 5.106 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -16.197 1.523 4.460 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -15.147 1.335 6.735 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -16.359 2.435 7.361 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -18.128 0.892 7.008 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -17.193 -0.066 5.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -17.371 -1.161 8.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.751 -0.763 7.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -16.656 0.165 8.797 1.00 0.00 H new ATOM 633 N LYS A 43 -13.703 5.349 2.361 1.00 0.00 N ATOM 634 CA LYS A 43 -12.964 6.588 2.150 1.00 0.00 C ATOM 635 C LYS A 43 -12.206 6.991 3.410 1.00 0.00 C ATOM 636 O LYS A 43 -12.274 8.140 3.847 1.00 0.00 O ATOM 637 CB LYS A 43 -13.918 7.710 1.735 1.00 0.00 C ATOM 638 CG LYS A 43 -14.552 7.497 0.371 1.00 0.00 C ATOM 639 CD LYS A 43 -15.854 6.721 0.476 1.00 0.00 C ATOM 640 CE LYS A 43 -16.988 7.601 0.980 1.00 0.00 C ATOM 641 NZ LYS A 43 -18.040 6.806 1.673 1.00 0.00 N ATOM 0 H LYS A 43 -13.577 4.653 1.626 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.242 6.419 1.351 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -14.706 7.800 2.482 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -13.374 8.655 1.730 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -14.740 8.463 -0.099 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.858 6.959 -0.274 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -16.115 6.313 -0.500 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -15.721 5.875 1.150 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -16.590 8.351 1.664 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -17.432 8.138 0.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -18.795 7.441 2.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -18.438 6.107 1.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -17.622 6.314 2.488 1.00 0.00 H new ATOM 655 N TYR A 44 -11.482 6.040 3.989 1.00 0.00 N ATOM 656 CA TYR A 44 -10.712 6.296 5.200 1.00 0.00 C ATOM 657 C TYR A 44 -9.253 6.592 4.865 1.00 0.00 C ATOM 658 O TYR A 44 -8.632 5.890 4.066 1.00 0.00 O ATOM 659 CB TYR A 44 -10.796 5.097 6.147 1.00 0.00 C ATOM 660 CG TYR A 44 -12.091 5.029 6.924 1.00 0.00 C ATOM 661 CD1 TYR A 44 -12.624 6.163 7.523 1.00 0.00 C ATOM 662 CD2 TYR A 44 -12.780 3.830 7.060 1.00 0.00 C ATOM 663 CE1 TYR A 44 -13.807 6.106 8.235 1.00 0.00 C ATOM 664 CE2 TYR A 44 -13.964 3.764 7.769 1.00 0.00 C ATOM 665 CZ TYR A 44 -14.473 4.904 8.355 1.00 0.00 C ATOM 666 OH TYR A 44 -15.651 4.842 9.063 1.00 0.00 O ATOM 0 H TYR A 44 -11.412 5.084 3.639 1.00 0.00 H new ATOM 0 HA TYR A 44 -11.138 7.170 5.693 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -10.680 4.180 5.570 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -9.963 5.140 6.849 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -12.105 7.106 7.431 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -12.383 2.935 6.604 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -14.208 6.997 8.695 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -14.488 2.825 7.864 1.00 0.00 H new ATOM 0 HH TYR A 44 -15.992 3.923 9.050 1.00 0.00 H new ATOM 676 N HIS A 45 -8.711 7.637 5.483 1.00 0.00 N ATOM 677 CA HIS A 45 -7.325 8.028 5.252 1.00 0.00 C ATOM 678 C HIS A 45 -6.368 6.940 5.731 1.00 0.00 C ATOM 679 O HIS A 45 -6.102 6.816 6.927 1.00 0.00 O ATOM 680 CB HIS A 45 -7.018 9.344 5.966 1.00 0.00 C ATOM 681 CG HIS A 45 -7.295 10.557 5.132 1.00 0.00 C ATOM 682 ND1 HIS A 45 -6.464 10.976 4.115 1.00 0.00 N ATOM 683 CD2 HIS A 45 -8.320 11.441 5.167 1.00 0.00 C ATOM 684 CE1 HIS A 45 -6.965 12.067 3.562 1.00 0.00 C ATOM 685 NE2 HIS A 45 -8.091 12.369 4.182 1.00 0.00 N ATOM 0 H HIS A 45 -9.211 8.228 6.147 1.00 0.00 H new ATOM 0 HA HIS A 45 -7.185 8.165 4.180 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -7.610 9.399 6.880 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -5.970 9.350 6.264 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -9.161 11.420 5.844 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.528 12.618 2.742 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -8.693 13.163 3.964 1.00 0.00 H new ATOM 694 N VAL A 46 -5.853 6.155 4.790 1.00 0.00 N ATOM 695 CA VAL A 46 -4.926 5.078 5.116 1.00 0.00 C ATOM 696 C VAL A 46 -3.479 5.548 5.007 1.00 0.00 C ATOM 697 O VAL A 46 -2.967 5.761 3.909 1.00 0.00 O ATOM 698 CB VAL A 46 -5.130 3.863 4.193 1.00 0.00 C ATOM 699 CG1 VAL A 46 -4.146 2.756 4.541 1.00 0.00 C ATOM 700 CG2 VAL A 46 -6.563 3.361 4.282 1.00 0.00 C ATOM 0 H VAL A 46 -6.062 6.245 3.796 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.133 4.782 6.144 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.941 4.174 3.165 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.306 1.906 3.878 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.127 3.124 4.421 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.299 2.444 5.574 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.689 2.502 3.623 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.782 3.066 5.308 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.246 4.154 3.979 1.00 0.00 H new ATOM 710 N GLN A 47 -2.827 5.707 6.154 1.00 0.00 N ATOM 711 CA GLN A 47 -1.438 6.151 6.188 1.00 0.00 C ATOM 712 C GLN A 47 -0.490 4.965 6.331 1.00 0.00 C ATOM 713 O GLN A 47 -0.315 4.426 7.423 1.00 0.00 O ATOM 714 CB GLN A 47 -1.223 7.134 7.340 1.00 0.00 C ATOM 715 CG GLN A 47 0.198 7.668 7.427 1.00 0.00 C ATOM 716 CD GLN A 47 0.524 8.239 8.793 1.00 0.00 C ATOM 717 OE1 GLN A 47 1.656 8.138 9.267 1.00 0.00 O ATOM 718 NE2 GLN A 47 -0.469 8.845 9.434 1.00 0.00 N ATOM 0 H GLN A 47 -3.238 5.535 7.072 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.221 6.654 5.246 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.911 7.972 7.225 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.475 6.641 8.279 1.00 0.00 H new ATOM 0 HG2 GLN A 47 0.898 6.865 7.196 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.339 8.441 6.671 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.392 8.906 9.004 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.309 9.250 10.357 1.00 0.00 H new ATOM 727 N VAL A 48 0.119 4.564 5.219 1.00 0.00 N ATOM 728 CA VAL A 48 1.050 3.442 5.221 1.00 0.00 C ATOM 729 C VAL A 48 2.466 3.903 5.549 1.00 0.00 C ATOM 730 O VAL A 48 2.865 5.014 5.200 1.00 0.00 O ATOM 731 CB VAL A 48 1.059 2.718 3.861 1.00 0.00 C ATOM 732 CG1 VAL A 48 2.200 1.714 3.799 1.00 0.00 C ATOM 733 CG2 VAL A 48 -0.277 2.036 3.612 1.00 0.00 C ATOM 0 H VAL A 48 -0.016 4.999 4.306 1.00 0.00 H new ATOM 0 HA VAL A 48 0.710 2.749 5.991 1.00 0.00 H new ATOM 0 HB VAL A 48 1.215 3.458 3.076 1.00 0.00 H new ATOM 0 HG11 VAL A 48 2.191 1.212 2.831 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.149 2.234 3.929 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.079 0.976 4.592 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.253 1.530 2.647 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.466 1.307 4.400 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.072 2.782 3.610 1.00 0.00 H new ATOM 743 N THR A 49 3.222 3.041 6.221 1.00 0.00 N ATOM 744 CA THR A 49 4.594 3.360 6.597 1.00 0.00 C ATOM 745 C THR A 49 5.504 2.148 6.433 1.00 0.00 C ATOM 746 O THR A 49 5.191 1.056 6.908 1.00 0.00 O ATOM 747 CB THR A 49 4.676 3.856 8.053 1.00 0.00 C ATOM 748 OG1 THR A 49 3.909 5.055 8.206 1.00 0.00 O ATOM 749 CG2 THR A 49 6.120 4.118 8.455 1.00 0.00 C ATOM 0 H THR A 49 2.908 2.117 6.516 1.00 0.00 H new ATOM 0 HA THR A 49 4.928 4.155 5.931 1.00 0.00 H new ATOM 0 HB THR A 49 4.270 3.080 8.701 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.965 5.363 9.135 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.153 4.467 9.487 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.696 3.197 8.365 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.548 4.878 7.801 1.00 0.00 H new ATOM 757 N ILE A 50 6.632 2.349 5.760 1.00 0.00 N ATOM 758 CA ILE A 50 7.589 1.272 5.535 1.00 0.00 C ATOM 759 C ILE A 50 8.899 1.539 6.269 1.00 0.00 C ATOM 760 O ILE A 50 9.434 2.647 6.225 1.00 0.00 O ATOM 761 CB ILE A 50 7.883 1.084 4.035 1.00 0.00 C ATOM 762 CG1 ILE A 50 6.621 0.628 3.299 1.00 0.00 C ATOM 763 CG2 ILE A 50 9.009 0.080 3.838 1.00 0.00 C ATOM 764 CD1 ILE A 50 6.670 0.872 1.807 1.00 0.00 C ATOM 0 H ILE A 50 6.906 3.247 5.361 1.00 0.00 H new ATOM 0 HA ILE A 50 7.136 0.360 5.925 1.00 0.00 H new ATOM 0 HB ILE A 50 8.198 2.041 3.619 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.469 -0.436 3.480 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.759 1.149 3.716 1.00 0.00 H new ATOM 0 HG21 ILE A 50 9.205 -0.042 2.773 1.00 0.00 H new ATOM 0 HG22 ILE A 50 9.910 0.442 4.334 1.00 0.00 H new ATOM 0 HG23 ILE A 50 8.720 -0.880 4.266 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.743 0.524 1.351 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.791 1.938 1.616 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.512 0.329 1.377 1.00 0.00 H new ATOM 776 N LYS A 51 9.412 0.515 6.942 1.00 0.00 N ATOM 777 CA LYS A 51 10.662 0.636 7.684 1.00 0.00 C ATOM 778 C LYS A 51 11.790 -0.105 6.973 1.00 0.00 C ATOM 779 O LYS A 51 11.588 -1.195 6.438 1.00 0.00 O ATOM 780 CB LYS A 51 10.492 0.089 9.103 1.00 0.00 C ATOM 781 CG LYS A 51 9.443 0.826 9.917 1.00 0.00 C ATOM 782 CD LYS A 51 9.232 0.175 11.274 1.00 0.00 C ATOM 783 CE LYS A 51 8.566 1.130 12.253 1.00 0.00 C ATOM 784 NZ LYS A 51 7.084 1.124 12.112 1.00 0.00 N ATOM 0 H LYS A 51 8.982 -0.409 6.989 1.00 0.00 H new ATOM 0 HA LYS A 51 10.923 1.693 7.738 1.00 0.00 H new ATOM 0 HB2 LYS A 51 10.222 -0.965 9.047 1.00 0.00 H new ATOM 0 HB3 LYS A 51 11.449 0.146 9.622 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.749 1.863 10.054 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.501 0.842 9.369 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.617 -0.717 11.159 1.00 0.00 H new ATOM 0 HD3 LYS A 51 10.192 -0.149 11.676 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.835 0.852 13.272 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.942 2.140 12.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.646 1.220 13.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.789 1.919 11.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.780 0.229 11.678 1.00 0.00 H new ATOM 978 N THR A 63 12.248 0.622 -2.206 1.00 0.00 N ATOM 979 CA THR A 63 11.282 0.827 -1.134 1.00 0.00 C ATOM 980 C THR A 63 10.010 1.483 -1.657 1.00 0.00 C ATOM 981 O THR A 63 8.939 1.339 -1.068 1.00 0.00 O ATOM 982 CB THR A 63 11.870 1.698 -0.008 1.00 0.00 C ATOM 983 OG1 THR A 63 13.133 1.170 0.412 1.00 0.00 O ATOM 984 CG2 THR A 63 10.920 1.761 1.180 1.00 0.00 C ATOM 0 HA THR A 63 11.041 -0.158 -0.734 1.00 0.00 H new ATOM 0 HB THR A 63 12.010 2.707 -0.395 1.00 0.00 H new ATOM 0 HG1 THR A 63 13.512 0.619 -0.304 1.00 0.00 H new ATOM 0 HG21 THR A 63 11.357 2.382 1.963 1.00 0.00 H new ATOM 0 HG22 THR A 63 9.970 2.191 0.864 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.752 0.755 1.566 1.00 0.00 H new ATOM 992 N GLU A 64 10.135 2.203 -2.768 1.00 0.00 N ATOM 993 CA GLU A 64 8.993 2.881 -3.370 1.00 0.00 C ATOM 994 C GLU A 64 8.056 1.880 -4.039 1.00 0.00 C ATOM 995 O GLU A 64 6.840 1.933 -3.854 1.00 0.00 O ATOM 996 CB GLU A 64 9.467 3.915 -4.394 1.00 0.00 C ATOM 997 CG GLU A 64 8.519 5.091 -4.555 1.00 0.00 C ATOM 998 CD GLU A 64 8.581 5.705 -5.940 1.00 0.00 C ATOM 999 OE1 GLU A 64 9.692 6.072 -6.376 1.00 0.00 O ATOM 1000 OE2 GLU A 64 7.519 5.819 -6.587 1.00 0.00 O ATOM 0 H GLU A 64 11.014 2.332 -3.269 1.00 0.00 H new ATOM 0 HA GLU A 64 8.446 3.390 -2.576 1.00 0.00 H new ATOM 0 HB2 GLU A 64 10.447 4.287 -4.095 1.00 0.00 H new ATOM 0 HB3 GLU A 64 9.593 3.426 -5.360 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.500 4.762 -4.353 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.761 5.852 -3.813 1.00 0.00 H new ATOM 1007 N GLU A 65 8.631 0.968 -4.816 1.00 0.00 N ATOM 1008 CA GLU A 65 7.847 -0.045 -5.514 1.00 0.00 C ATOM 1009 C GLU A 65 6.769 -0.622 -4.601 1.00 0.00 C ATOM 1010 O GLU A 65 5.652 -0.898 -5.041 1.00 0.00 O ATOM 1011 CB GLU A 65 8.757 -1.166 -6.020 1.00 0.00 C ATOM 1012 CG GLU A 65 9.749 -0.715 -7.078 1.00 0.00 C ATOM 1013 CD GLU A 65 9.114 -0.562 -8.446 1.00 0.00 C ATOM 1014 OE1 GLU A 65 8.010 0.016 -8.526 1.00 0.00 O ATOM 1015 OE2 GLU A 65 9.720 -1.020 -9.437 1.00 0.00 O ATOM 0 H GLU A 65 9.636 0.909 -4.978 1.00 0.00 H new ATOM 0 HA GLU A 65 7.361 0.430 -6.366 1.00 0.00 H new ATOM 0 HB2 GLU A 65 9.305 -1.586 -5.176 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.140 -1.966 -6.430 1.00 0.00 H new ATOM 0 HG2 GLU A 65 10.188 0.236 -6.777 1.00 0.00 H new ATOM 0 HG3 GLU A 65 10.563 -1.437 -7.138 1.00 0.00 H new ATOM 1022 N ILE A 66 7.112 -0.802 -3.330 1.00 0.00 N ATOM 1023 CA ILE A 66 6.174 -1.345 -2.356 1.00 0.00 C ATOM 1024 C ILE A 66 4.804 -0.688 -2.486 1.00 0.00 C ATOM 1025 O ILE A 66 3.808 -1.355 -2.766 1.00 0.00 O ATOM 1026 CB ILE A 66 6.686 -1.157 -0.916 1.00 0.00 C ATOM 1027 CG1 ILE A 66 8.031 -1.864 -0.734 1.00 0.00 C ATOM 1028 CG2 ILE A 66 5.666 -1.684 0.082 1.00 0.00 C ATOM 1029 CD1 ILE A 66 7.908 -3.361 -0.561 1.00 0.00 C ATOM 0 H ILE A 66 8.032 -0.580 -2.951 1.00 0.00 H new ATOM 0 HA ILE A 66 6.084 -2.411 -2.565 1.00 0.00 H new ATOM 0 HB ILE A 66 6.828 -0.092 -0.733 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.661 -1.657 -1.599 1.00 0.00 H new ATOM 0 HG13 ILE A 66 8.537 -1.446 0.136 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.042 -1.544 1.095 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.728 -1.141 -0.035 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.495 -2.745 -0.098 1.00 0.00 H new ATOM 0 HD11 ILE A 66 8.900 -3.796 -0.437 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.305 -3.577 0.321 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.431 -3.791 -1.442 1.00 0.00 H new ATOM 1041 N PHE A 67 4.762 0.624 -2.283 1.00 0.00 N ATOM 1042 CA PHE A 67 3.514 1.373 -2.379 1.00 0.00 C ATOM 1043 C PHE A 67 2.741 0.983 -3.635 1.00 0.00 C ATOM 1044 O PHE A 67 1.526 0.792 -3.595 1.00 0.00 O ATOM 1045 CB PHE A 67 3.795 2.877 -2.385 1.00 0.00 C ATOM 1046 CG PHE A 67 4.402 3.379 -1.106 1.00 0.00 C ATOM 1047 CD1 PHE A 67 3.620 3.555 0.024 1.00 0.00 C ATOM 1048 CD2 PHE A 67 5.754 3.673 -1.033 1.00 0.00 C ATOM 1049 CE1 PHE A 67 4.175 4.017 1.202 1.00 0.00 C ATOM 1050 CE2 PHE A 67 6.315 4.136 0.142 1.00 0.00 C ATOM 1051 CZ PHE A 67 5.524 4.307 1.262 1.00 0.00 C ATOM 0 H PHE A 67 5.577 1.191 -2.051 1.00 0.00 H new ATOM 0 HA PHE A 67 2.905 1.129 -1.509 1.00 0.00 H new ATOM 0 HB2 PHE A 67 4.466 3.110 -3.212 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.863 3.412 -2.570 1.00 0.00 H new ATOM 0 HD1 PHE A 67 2.565 3.329 -0.016 1.00 0.00 H new ATOM 0 HD2 PHE A 67 6.377 3.539 -1.905 1.00 0.00 H new ATOM 0 HE1 PHE A 67 3.554 4.151 2.075 1.00 0.00 H new ATOM 0 HE2 PHE A 67 7.370 4.364 0.185 1.00 0.00 H new ATOM 0 HZ PHE A 67 5.960 4.667 2.182 1.00 0.00 H new ATOM 1061 N ASN A 68 3.455 0.869 -4.750 1.00 0.00 N ATOM 1062 CA ASN A 68 2.837 0.503 -6.020 1.00 0.00 C ATOM 1063 C ASN A 68 2.217 -0.889 -5.942 1.00 0.00 C ATOM 1064 O ASN A 68 1.042 -1.074 -6.257 1.00 0.00 O ATOM 1065 CB ASN A 68 3.870 0.552 -7.147 1.00 0.00 C ATOM 1066 CG ASN A 68 4.158 1.968 -7.606 1.00 0.00 C ATOM 1067 OD1 ASN A 68 3.271 2.665 -8.099 1.00 0.00 O ATOM 1068 ND2 ASN A 68 5.403 2.400 -7.447 1.00 0.00 N ATOM 0 H ASN A 68 4.462 1.025 -4.800 1.00 0.00 H new ATOM 0 HA ASN A 68 2.046 1.222 -6.231 1.00 0.00 H new ATOM 0 HB2 ASN A 68 4.796 0.088 -6.808 1.00 0.00 H new ATOM 0 HB3 ASN A 68 3.510 -0.035 -7.992 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.656 3.344 -7.738 1.00 0.00 H new ATOM 0 HD22 ASN A 68 6.106 1.788 -7.034 1.00 0.00 H new ATOM 1075 N GLN A 69 3.017 -1.864 -5.521 1.00 0.00 N ATOM 1076 CA GLN A 69 2.547 -3.239 -5.402 1.00 0.00 C ATOM 1077 C GLN A 69 1.208 -3.296 -4.673 1.00 0.00 C ATOM 1078 O GLN A 69 0.369 -4.149 -4.963 1.00 0.00 O ATOM 1079 CB GLN A 69 3.580 -4.091 -4.664 1.00 0.00 C ATOM 1080 CG GLN A 69 5.007 -3.859 -5.133 1.00 0.00 C ATOM 1081 CD GLN A 69 5.884 -5.083 -4.963 1.00 0.00 C ATOM 1082 OE1 GLN A 69 5.635 -5.925 -4.100 1.00 0.00 O ATOM 1083 NE2 GLN A 69 6.919 -5.190 -5.788 1.00 0.00 N ATOM 0 H GLN A 69 3.993 -1.727 -5.257 1.00 0.00 H new ATOM 0 HA GLN A 69 2.409 -3.638 -6.407 1.00 0.00 H new ATOM 0 HB2 GLN A 69 3.518 -3.879 -3.597 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.330 -5.144 -4.794 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.997 -3.567 -6.183 1.00 0.00 H new ATOM 0 HG3 GLN A 69 5.438 -3.028 -4.575 1.00 0.00 H new ATOM 0 HE21 GLN A 69 7.089 -4.469 -6.489 1.00 0.00 H new ATOM 0 HE22 GLN A 69 7.544 -5.993 -5.721 1.00 0.00 H new ATOM 1092 N ILE A 70 1.017 -2.384 -3.726 1.00 0.00 N ATOM 1093 CA ILE A 70 -0.219 -2.330 -2.956 1.00 0.00 C ATOM 1094 C ILE A 70 -1.325 -1.630 -3.739 1.00 0.00 C ATOM 1095 O ILE A 70 -2.500 -1.978 -3.621 1.00 0.00 O ATOM 1096 CB ILE A 70 -0.016 -1.602 -1.614 1.00 0.00 C ATOM 1097 CG1 ILE A 70 1.214 -2.155 -0.890 1.00 0.00 C ATOM 1098 CG2 ILE A 70 -1.256 -1.740 -0.744 1.00 0.00 C ATOM 1099 CD1 ILE A 70 1.728 -1.248 0.206 1.00 0.00 C ATOM 0 H ILE A 70 1.703 -1.672 -3.474 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.513 -3.361 -2.760 1.00 0.00 H new ATOM 0 HB ILE A 70 0.148 -0.543 -1.813 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.967 -3.126 -0.461 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.009 -2.320 -1.617 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.097 -1.220 0.201 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.112 -1.304 -1.259 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.449 -2.795 -0.550 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.600 -1.703 0.676 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.007 -0.284 -0.220 1.00 0.00 H new ATOM 0 HD13 ILE A 70 0.948 -1.102 0.953 1.00 0.00 H new ATOM 1111 N LEU A 71 -0.940 -0.643 -4.540 1.00 0.00 N ATOM 1112 CA LEU A 71 -1.899 0.106 -5.346 1.00 0.00 C ATOM 1113 C LEU A 71 -2.358 -0.713 -6.548 1.00 0.00 C ATOM 1114 O LEU A 71 -3.445 -0.494 -7.080 1.00 0.00 O ATOM 1115 CB LEU A 71 -1.279 1.423 -5.818 1.00 0.00 C ATOM 1116 CG LEU A 71 -2.254 2.463 -6.372 1.00 0.00 C ATOM 1117 CD1 LEU A 71 -2.963 3.186 -5.237 1.00 0.00 C ATOM 1118 CD2 LEU A 71 -1.524 3.454 -7.266 1.00 0.00 C ATOM 0 H LEU A 71 0.029 -0.342 -4.649 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.768 0.322 -4.725 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.741 1.868 -4.981 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.542 1.199 -6.589 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.004 1.948 -6.972 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.653 3.922 -5.649 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.518 2.465 -4.637 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.227 3.690 -4.610 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.233 4.187 -7.652 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.752 3.964 -6.690 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.063 2.922 -8.098 1.00 0.00 H new ATOM 1130 N GLN A 72 -1.522 -1.658 -6.967 1.00 0.00 N ATOM 1131 CA GLN A 72 -1.844 -2.511 -8.105 1.00 0.00 C ATOM 1132 C GLN A 72 -3.092 -3.342 -7.827 1.00 0.00 C ATOM 1133 O GLN A 72 -3.636 -3.986 -8.725 1.00 0.00 O ATOM 1134 CB GLN A 72 -0.665 -3.431 -8.429 1.00 0.00 C ATOM 1135 CG GLN A 72 0.412 -2.766 -9.270 1.00 0.00 C ATOM 1136 CD GLN A 72 1.202 -3.760 -10.099 1.00 0.00 C ATOM 1137 OE1 GLN A 72 1.122 -4.969 -9.881 1.00 0.00 O ATOM 1138 NE2 GLN A 72 1.971 -3.254 -11.056 1.00 0.00 N ATOM 0 H GLN A 72 -0.618 -1.852 -6.536 1.00 0.00 H new ATOM 0 HA GLN A 72 -2.042 -1.869 -8.964 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -0.222 -3.782 -7.497 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -1.035 -4.310 -8.957 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.050 -2.033 -9.931 1.00 0.00 H new ATOM 0 HG3 GLN A 72 1.093 -2.221 -8.616 1.00 0.00 H new ATOM 0 HE21 GLN A 72 2.007 -2.245 -11.201 1.00 0.00 H new ATOM 0 HE22 GLN A 72 2.526 -3.874 -11.646 1.00 0.00 H new ATOM 1147 N THR A 73 -3.542 -3.325 -6.576 1.00 0.00 N ATOM 1148 CA THR A 73 -4.724 -4.078 -6.179 1.00 0.00 C ATOM 1149 C THR A 73 -5.964 -3.191 -6.170 1.00 0.00 C ATOM 1150 O THR A 73 -7.087 -3.676 -6.308 1.00 0.00 O ATOM 1151 CB THR A 73 -4.548 -4.707 -4.784 1.00 0.00 C ATOM 1152 OG1 THR A 73 -4.583 -3.688 -3.779 1.00 0.00 O ATOM 1153 CG2 THR A 73 -3.233 -5.468 -4.696 1.00 0.00 C ATOM 0 H THR A 73 -3.105 -2.797 -5.820 1.00 0.00 H new ATOM 0 HA THR A 73 -4.853 -4.872 -6.914 1.00 0.00 H new ATOM 0 HB THR A 73 -5.367 -5.407 -4.619 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.906 -3.008 -3.979 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.130 -5.903 -3.702 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.221 -6.262 -5.443 1.00 0.00 H new ATOM 0 HG23 THR A 73 -2.404 -4.785 -4.880 1.00 0.00 H new ATOM 1161 N MET A 74 -5.753 -1.889 -6.009 1.00 0.00 N ATOM 1162 CA MET A 74 -6.855 -0.933 -5.984 1.00 0.00 C ATOM 1163 C MET A 74 -6.609 0.205 -6.970 1.00 0.00 C ATOM 1164 O MET A 74 -6.810 1.380 -6.661 1.00 0.00 O ATOM 1165 CB MET A 74 -7.039 -0.371 -4.574 1.00 0.00 C ATOM 1166 CG MET A 74 -5.740 -0.248 -3.794 1.00 0.00 C ATOM 1167 SD MET A 74 -6.010 0.106 -2.046 1.00 0.00 S ATOM 1168 CE MET A 74 -5.101 -1.236 -1.284 1.00 0.00 C ATOM 0 H MET A 74 -4.830 -1.471 -5.894 1.00 0.00 H new ATOM 0 HA MET A 74 -7.764 -1.456 -6.280 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.507 0.611 -4.641 1.00 0.00 H new ATOM 0 HB3 MET A 74 -7.725 -1.014 -4.022 1.00 0.00 H new ATOM 0 HG2 MET A 74 -5.174 -1.175 -3.890 1.00 0.00 H new ATOM 0 HG3 MET A 74 -5.132 0.544 -4.231 1.00 0.00 H new ATOM 0 HE1 MET A 74 -5.793 -1.886 -0.748 1.00 0.00 H new ATOM 0 HE2 MET A 74 -4.586 -1.810 -2.054 1.00 0.00 H new ATOM 0 HE3 MET A 74 -4.370 -0.830 -0.585 1.00 0.00 H new ATOM 1178 N PRO A 75 -6.165 -0.149 -8.185 1.00 0.00 N ATOM 1179 CA PRO A 75 -5.883 0.829 -9.240 1.00 0.00 C ATOM 1180 C PRO A 75 -7.152 1.476 -9.785 1.00 0.00 C ATOM 1181 O PRO A 75 -7.089 2.428 -10.563 1.00 0.00 O ATOM 1182 CB PRO A 75 -5.201 -0.007 -10.326 1.00 0.00 C ATOM 1183 CG PRO A 75 -5.701 -1.393 -10.106 1.00 0.00 C ATOM 1184 CD PRO A 75 -5.904 -1.530 -8.623 1.00 0.00 C ATOM 0 HA PRO A 75 -5.275 1.657 -8.876 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -5.457 0.353 -11.322 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -4.116 0.041 -10.239 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -6.634 -1.561 -10.645 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -4.985 -2.129 -10.471 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -6.740 -2.190 -8.391 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -5.024 -1.947 -8.134 1.00 0.00 H new ATOM 1192 N ASP A 76 -8.301 0.954 -9.371 1.00 0.00 N ATOM 1193 CA ASP A 76 -9.585 1.483 -9.816 1.00 0.00 C ATOM 1194 C ASP A 76 -10.455 1.873 -8.625 1.00 0.00 C ATOM 1195 O ASP A 76 -11.584 2.333 -8.794 1.00 0.00 O ATOM 1196 CB ASP A 76 -10.313 0.451 -10.680 1.00 0.00 C ATOM 1197 CG ASP A 76 -10.372 -0.914 -10.024 1.00 0.00 C ATOM 1198 OD1 ASP A 76 -9.396 -1.681 -10.159 1.00 0.00 O ATOM 1199 OD2 ASP A 76 -11.395 -1.216 -9.375 1.00 0.00 O ATOM 0 H ASP A 76 -8.370 0.165 -8.728 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.396 2.376 -10.412 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.326 0.799 -10.880 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -9.809 0.367 -11.643 1.00 0.00 H new ATOM 1204 N ILE A 77 -9.922 1.684 -7.423 1.00 0.00 N ATOM 1205 CA ILE A 77 -10.650 2.015 -6.204 1.00 0.00 C ATOM 1206 C ILE A 77 -9.845 2.967 -5.325 1.00 0.00 C ATOM 1207 O ILE A 77 -10.394 3.628 -4.445 1.00 0.00 O ATOM 1208 CB ILE A 77 -10.994 0.753 -5.393 1.00 0.00 C ATOM 1209 CG1 ILE A 77 -11.094 1.089 -3.903 1.00 0.00 C ATOM 1210 CG2 ILE A 77 -9.951 -0.329 -5.628 1.00 0.00 C ATOM 1211 CD1 ILE A 77 -11.464 -0.097 -3.040 1.00 0.00 C ATOM 0 H ILE A 77 -8.989 1.303 -7.267 1.00 0.00 H new ATOM 0 HA ILE A 77 -11.575 2.502 -6.512 1.00 0.00 H new ATOM 0 HB ILE A 77 -11.961 0.377 -5.728 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -10.139 1.491 -3.564 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -11.837 1.874 -3.765 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -10.209 -1.215 -5.047 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -9.924 -0.584 -6.687 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -8.972 0.036 -5.318 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -11.517 0.214 -1.997 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -12.433 -0.486 -3.352 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -10.709 -0.876 -3.148 1.00 0.00 H new ATOM 1223 N ALA A 78 -8.541 3.032 -5.572 1.00 0.00 N ATOM 1224 CA ALA A 78 -7.661 3.906 -4.806 1.00 0.00 C ATOM 1225 C ALA A 78 -6.579 4.511 -5.694 1.00 0.00 C ATOM 1226 O ALA A 78 -6.262 3.975 -6.757 1.00 0.00 O ATOM 1227 CB ALA A 78 -7.032 3.140 -3.652 1.00 0.00 C ATOM 0 H ALA A 78 -8.071 2.490 -6.297 1.00 0.00 H new ATOM 0 HA ALA A 78 -8.261 4.722 -4.403 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -6.377 3.804 -3.088 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -7.816 2.761 -2.996 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -6.451 2.305 -4.043 1.00 0.00 H new ATOM 1233 N THR A 79 -6.015 5.630 -5.253 1.00 0.00 N ATOM 1234 CA THR A 79 -4.969 6.309 -6.008 1.00 0.00 C ATOM 1235 C THR A 79 -3.998 7.028 -5.079 1.00 0.00 C ATOM 1236 O THR A 79 -4.354 7.403 -3.962 1.00 0.00 O ATOM 1237 CB THR A 79 -5.564 7.328 -6.999 1.00 0.00 C ATOM 1238 OG1 THR A 79 -4.611 7.627 -8.025 1.00 0.00 O ATOM 1239 CG2 THR A 79 -5.965 8.609 -6.283 1.00 0.00 C ATOM 0 H THR A 79 -6.265 6.086 -4.376 1.00 0.00 H new ATOM 0 HA THR A 79 -4.432 5.541 -6.565 1.00 0.00 H new ATOM 0 HB THR A 79 -6.454 6.888 -7.448 1.00 0.00 H new ATOM 0 HG1 THR A 79 -4.997 8.274 -8.652 1.00 0.00 H new ATOM 0 HG21 THR A 79 -6.382 9.313 -7.003 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.712 8.382 -5.522 1.00 0.00 H new ATOM 0 HG23 THR A 79 -5.088 9.051 -5.810 1.00 0.00 H new ATOM 1247 N PHE A 80 -2.769 7.219 -5.548 1.00 0.00 N ATOM 1248 CA PHE A 80 -1.746 7.894 -4.759 1.00 0.00 C ATOM 1249 C PHE A 80 -2.235 9.261 -4.289 1.00 0.00 C ATOM 1250 O PHE A 80 -2.315 10.207 -5.073 1.00 0.00 O ATOM 1251 CB PHE A 80 -0.463 8.052 -5.577 1.00 0.00 C ATOM 1252 CG PHE A 80 0.489 6.899 -5.429 1.00 0.00 C ATOM 1253 CD1 PHE A 80 1.154 6.682 -4.233 1.00 0.00 C ATOM 1254 CD2 PHE A 80 0.718 6.033 -6.486 1.00 0.00 C ATOM 1255 CE1 PHE A 80 2.029 5.621 -4.093 1.00 0.00 C ATOM 1256 CE2 PHE A 80 1.592 4.971 -6.352 1.00 0.00 C ATOM 1257 CZ PHE A 80 2.249 4.765 -5.155 1.00 0.00 C ATOM 0 H PHE A 80 -2.458 6.916 -6.471 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.536 7.282 -3.882 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.724 8.164 -6.629 1.00 0.00 H new ATOM 0 HB3 PHE A 80 0.041 8.970 -5.274 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.987 7.349 -3.401 1.00 0.00 H new ATOM 0 HD2 PHE A 80 0.208 6.190 -7.425 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.540 5.461 -3.155 1.00 0.00 H new ATOM 0 HE2 PHE A 80 1.761 4.302 -7.183 1.00 0.00 H new ATOM 0 HZ PHE A 80 2.934 3.936 -5.049 1.00 0.00 H new ATOM 1267 N SER A 81 -2.561 9.356 -3.004 1.00 0.00 N ATOM 1268 CA SER A 81 -3.046 10.606 -2.429 1.00 0.00 C ATOM 1269 C SER A 81 -1.885 11.471 -1.951 1.00 0.00 C ATOM 1270 O SER A 81 -1.768 12.637 -2.328 1.00 0.00 O ATOM 1271 CB SER A 81 -3.998 10.321 -1.265 1.00 0.00 C ATOM 1272 OG SER A 81 -4.714 11.486 -0.895 1.00 0.00 O ATOM 0 H SER A 81 -2.498 8.583 -2.341 1.00 0.00 H new ATOM 0 HA SER A 81 -3.585 11.149 -3.205 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.698 9.535 -1.548 1.00 0.00 H new ATOM 0 HB3 SER A 81 -3.432 9.951 -0.410 1.00 0.00 H new ATOM 0 HG SER A 81 -5.194 11.322 -0.056 1.00 0.00 H new ATOM 1278 N SER A 82 -1.027 10.891 -1.118 1.00 0.00 N ATOM 1279 CA SER A 82 0.125 11.609 -0.584 1.00 0.00 C ATOM 1280 C SER A 82 1.427 10.922 -0.983 1.00 0.00 C ATOM 1281 O SER A 82 1.838 9.941 -0.364 1.00 0.00 O ATOM 1282 CB SER A 82 0.031 11.704 0.940 1.00 0.00 C ATOM 1283 OG SER A 82 -0.690 12.858 1.336 1.00 0.00 O ATOM 0 H SER A 82 -1.108 9.926 -0.798 1.00 0.00 H new ATOM 0 HA SER A 82 0.122 12.614 -1.005 1.00 0.00 H new ATOM 0 HB2 SER A 82 -0.458 10.813 1.333 1.00 0.00 H new ATOM 0 HB3 SER A 82 1.033 11.733 1.368 1.00 0.00 H new ATOM 0 HG SER A 82 -0.737 12.895 2.314 1.00 0.00 H new ATOM 1289 N ARG A 83 2.070 11.445 -2.022 1.00 0.00 N ATOM 1290 CA ARG A 83 3.325 10.881 -2.505 1.00 0.00 C ATOM 1291 C ARG A 83 4.188 10.398 -1.343 1.00 0.00 C ATOM 1292 O ARG A 83 4.359 11.087 -0.337 1.00 0.00 O ATOM 1293 CB ARG A 83 4.092 11.920 -3.326 1.00 0.00 C ATOM 1294 CG ARG A 83 5.238 11.332 -4.133 1.00 0.00 C ATOM 1295 CD ARG A 83 4.740 10.670 -5.408 1.00 0.00 C ATOM 1296 NE ARG A 83 5.836 10.130 -6.209 1.00 0.00 N ATOM 1297 CZ ARG A 83 5.656 9.369 -7.282 1.00 0.00 C ATOM 1298 NH1 ARG A 83 4.430 9.059 -7.682 1.00 0.00 N ATOM 1299 NH2 ARG A 83 6.704 8.916 -7.959 1.00 0.00 N ATOM 0 H ARG A 83 1.743 12.257 -2.545 1.00 0.00 H new ATOM 0 HA ARG A 83 3.090 10.026 -3.139 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.399 12.418 -4.004 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.485 12.683 -2.655 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.949 12.119 -4.384 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.773 10.601 -3.527 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.048 9.868 -5.153 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.182 11.396 -5.999 1.00 0.00 H new ATOM 0 HE ARG A 83 6.792 10.350 -5.929 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.622 9.405 -7.165 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.295 8.474 -8.507 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.649 9.152 -7.655 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.565 8.331 -8.783 1.00 0.00 H new ATOM 1313 N PRO A 84 4.744 9.186 -1.483 1.00 0.00 N ATOM 1314 CA PRO A 84 5.598 8.583 -0.455 1.00 0.00 C ATOM 1315 C PRO A 84 6.942 9.294 -0.329 1.00 0.00 C ATOM 1316 O PRO A 84 7.910 8.938 -1.002 1.00 0.00 O ATOM 1317 CB PRO A 84 5.796 7.150 -0.954 1.00 0.00 C ATOM 1318 CG PRO A 84 5.607 7.232 -2.429 1.00 0.00 C ATOM 1319 CD PRO A 84 4.583 8.310 -2.656 1.00 0.00 C ATOM 0 HA PRO A 84 5.149 8.645 0.536 1.00 0.00 H new ATOM 0 HB2 PRO A 84 6.789 6.777 -0.702 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.075 6.470 -0.500 1.00 0.00 H new ATOM 0 HG2 PRO A 84 6.545 7.473 -2.930 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.266 6.279 -2.832 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.765 8.847 -3.587 1.00 0.00 H new ATOM 0 HD3 PRO A 84 3.575 7.900 -2.716 1.00 0.00 H new ATOM 1327 N LYS A 85 6.995 10.299 0.538 1.00 0.00 N ATOM 1328 CA LYS A 85 8.220 11.059 0.755 1.00 0.00 C ATOM 1329 C LYS A 85 9.077 10.412 1.840 1.00 0.00 C ATOM 1330 O LYS A 85 8.624 9.512 2.546 1.00 0.00 O ATOM 1331 CB LYS A 85 7.888 12.501 1.145 1.00 0.00 C ATOM 1332 CG LYS A 85 7.221 12.626 2.503 1.00 0.00 C ATOM 1333 CD LYS A 85 6.333 13.857 2.578 1.00 0.00 C ATOM 1334 CE LYS A 85 5.687 13.996 3.947 1.00 0.00 C ATOM 1335 NZ LYS A 85 6.672 14.402 4.987 1.00 0.00 N ATOM 0 H LYS A 85 6.203 10.606 1.102 1.00 0.00 H new ATOM 0 HA LYS A 85 8.786 11.062 -0.177 1.00 0.00 H new ATOM 0 HB2 LYS A 85 8.806 13.089 1.145 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.234 12.932 0.387 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.626 11.734 2.700 1.00 0.00 H new ATOM 0 HG3 LYS A 85 7.983 12.679 3.280 1.00 0.00 H new ATOM 0 HD2 LYS A 85 6.924 14.747 2.362 1.00 0.00 H new ATOM 0 HD3 LYS A 85 5.558 13.795 1.814 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.886 14.734 3.897 1.00 0.00 H new ATOM 0 HE3 LYS A 85 5.230 13.048 4.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 6.176 14.584 5.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 7.366 13.640 5.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 7.163 15.266 4.681 1.00 0.00 H new ATOM 1349 N ALA A 86 10.315 10.879 1.966 1.00 0.00 N ATOM 1350 CA ALA A 86 11.233 10.348 2.966 1.00 0.00 C ATOM 1351 C ALA A 86 10.903 10.887 4.354 1.00 0.00 C ATOM 1352 O ALA A 86 10.719 12.091 4.536 1.00 0.00 O ATOM 1353 CB ALA A 86 12.669 10.684 2.595 1.00 0.00 C ATOM 0 H ALA A 86 10.705 11.624 1.388 1.00 0.00 H new ATOM 0 HA ALA A 86 11.120 9.264 2.989 1.00 0.00 H new ATOM 0 HB1 ALA A 86 13.344 10.281 3.350 1.00 0.00 H new ATOM 0 HB2 ALA A 86 12.906 10.246 1.626 1.00 0.00 H new ATOM 0 HB3 ALA A 86 12.788 11.766 2.542 1.00 0.00 H new ATOM 1359 N ILE A 87 10.828 9.988 5.330 1.00 0.00 N ATOM 1360 CA ILE A 87 10.520 10.374 6.702 1.00 0.00 C ATOM 1361 C ILE A 87 11.625 9.936 7.657 1.00 0.00 C ATOM 1362 O ILE A 87 12.474 9.116 7.307 1.00 0.00 O ATOM 1363 CB ILE A 87 9.183 9.770 7.170 1.00 0.00 C ATOM 1364 CG1 ILE A 87 9.293 8.247 7.267 1.00 0.00 C ATOM 1365 CG2 ILE A 87 8.062 10.166 6.221 1.00 0.00 C ATOM 1366 CD1 ILE A 87 8.188 7.612 8.083 1.00 0.00 C ATOM 0 H ILE A 87 10.976 8.988 5.196 1.00 0.00 H new ATOM 0 HA ILE A 87 10.442 11.461 6.714 1.00 0.00 H new ATOM 0 HB ILE A 87 8.950 10.163 8.160 1.00 0.00 H new ATOM 0 HG12 ILE A 87 9.280 7.825 6.262 1.00 0.00 H new ATOM 0 HG13 ILE A 87 10.255 7.988 7.709 1.00 0.00 H new ATOM 0 HG21 ILE A 87 7.123 9.731 6.565 1.00 0.00 H new ATOM 0 HG22 ILE A 87 7.972 11.252 6.197 1.00 0.00 H new ATOM 0 HG23 ILE A 87 8.286 9.799 5.220 1.00 0.00 H new ATOM 0 HD11 ILE A 87 8.330 6.532 8.109 1.00 0.00 H new ATOM 0 HD12 ILE A 87 8.214 8.006 9.099 1.00 0.00 H new ATOM 0 HD13 ILE A 87 7.224 7.841 7.630 1.00 0.00 H new ATOM 1378 N ARG A 88 11.608 10.489 8.866 1.00 0.00 N ATOM 1379 CA ARG A 88 12.608 10.155 9.872 1.00 0.00 C ATOM 1380 C ARG A 88 14.012 10.190 9.276 1.00 0.00 C ATOM 1381 O ARG A 88 14.835 9.316 9.547 1.00 0.00 O ATOM 1382 CB ARG A 88 12.327 8.772 10.462 1.00 0.00 C ATOM 1383 CG ARG A 88 10.853 8.507 10.719 1.00 0.00 C ATOM 1384 CD ARG A 88 10.654 7.330 11.660 1.00 0.00 C ATOM 1385 NE ARG A 88 11.203 6.092 11.113 1.00 0.00 N ATOM 1386 CZ ARG A 88 11.563 5.054 11.860 1.00 0.00 C ATOM 1387 NH1 ARG A 88 11.432 5.105 13.178 1.00 0.00 N ATOM 1388 NH2 ARG A 88 12.054 3.962 11.288 1.00 0.00 N ATOM 0 H ARG A 88 10.913 11.170 9.172 1.00 0.00 H new ATOM 0 HA ARG A 88 12.551 10.900 10.666 1.00 0.00 H new ATOM 0 HB2 ARG A 88 12.711 8.012 9.782 1.00 0.00 H new ATOM 0 HB3 ARG A 88 12.875 8.668 11.399 1.00 0.00 H new ATOM 0 HG2 ARG A 88 10.391 9.397 11.146 1.00 0.00 H new ATOM 0 HG3 ARG A 88 10.348 8.308 9.774 1.00 0.00 H new ATOM 0 HD2 ARG A 88 11.130 7.546 12.616 1.00 0.00 H new ATOM 0 HD3 ARG A 88 9.590 7.199 11.856 1.00 0.00 H new ATOM 0 HE ARG A 88 11.316 6.020 10.102 1.00 0.00 H new ATOM 0 HH11 ARG A 88 11.054 5.942 13.621 1.00 0.00 H new ATOM 0 HH12 ARG A 88 11.709 4.307 13.749 1.00 0.00 H new ATOM 0 HH21 ARG A 88 12.155 3.919 10.274 1.00 0.00 H new ATOM 0 HH22 ARG A 88 12.330 3.166 11.862 1.00 0.00 H new ATOM 1402 N GLY A 89 14.279 11.207 8.461 1.00 0.00 N ATOM 1403 CA GLY A 89 15.583 11.336 7.839 1.00 0.00 C ATOM 1404 C GLY A 89 15.617 10.759 6.438 1.00 0.00 C ATOM 1405 O GLY A 89 16.368 11.228 5.583 1.00 0.00 O ATOM 0 H GLY A 89 13.615 11.943 8.221 1.00 0.00 H new ATOM 0 HA2 GLY A 89 15.862 12.389 7.802 1.00 0.00 H new ATOM 0 HA3 GLY A 89 16.327 10.831 8.455 1.00 0.00 H new ATOM 1409 N GLY A 90 14.802 9.735 6.201 1.00 0.00 N ATOM 1410 CA GLY A 90 14.758 9.109 4.892 1.00 0.00 C ATOM 1411 C GLY A 90 14.723 7.596 4.975 1.00 0.00 C ATOM 1412 O GLY A 90 14.216 6.928 4.073 1.00 0.00 O ATOM 0 H GLY A 90 14.172 9.328 6.892 1.00 0.00 H new ATOM 0 HA2 GLY A 90 13.878 9.461 4.354 1.00 0.00 H new ATOM 0 HA3 GLY A 90 15.630 9.418 4.315 1.00 0.00 H new ATOM 1416 N THR A 91 15.265 7.051 6.060 1.00 0.00 N ATOM 1417 CA THR A 91 15.296 5.607 6.256 1.00 0.00 C ATOM 1418 C THR A 91 13.925 4.989 6.007 1.00 0.00 C ATOM 1419 O THR A 91 13.817 3.906 5.433 1.00 0.00 O ATOM 1420 CB THR A 91 15.760 5.243 7.679 1.00 0.00 C ATOM 1421 OG1 THR A 91 14.859 5.796 8.645 1.00 0.00 O ATOM 1422 CG2 THR A 91 17.167 5.760 7.937 1.00 0.00 C ATOM 0 H THR A 91 15.689 7.588 6.817 1.00 0.00 H new ATOM 0 HA THR A 91 16.009 5.205 5.536 1.00 0.00 H new ATOM 0 HB THR A 91 15.766 4.157 7.769 1.00 0.00 H new ATOM 0 HG1 THR A 91 15.160 5.559 9.547 1.00 0.00 H new ATOM 0 HG21 THR A 91 17.474 5.491 8.948 1.00 0.00 H new ATOM 0 HG22 THR A 91 17.856 5.315 7.219 1.00 0.00 H new ATOM 0 HG23 THR A 91 17.181 6.845 7.830 1.00 0.00 H new ATOM 1430 N ALA A 92 12.879 5.684 6.444 1.00 0.00 N ATOM 1431 CA ALA A 92 11.515 5.204 6.265 1.00 0.00 C ATOM 1432 C ALA A 92 10.729 6.118 5.331 1.00 0.00 C ATOM 1433 O ALA A 92 11.186 7.206 4.983 1.00 0.00 O ATOM 1434 CB ALA A 92 10.814 5.094 7.612 1.00 0.00 C ATOM 0 H ALA A 92 12.951 6.581 6.924 1.00 0.00 H new ATOM 0 HA ALA A 92 11.561 4.215 5.809 1.00 0.00 H new ATOM 0 HB1 ALA A 92 9.796 4.734 7.464 1.00 0.00 H new ATOM 0 HB2 ALA A 92 11.357 4.395 8.249 1.00 0.00 H new ATOM 0 HB3 ALA A 92 10.787 6.074 8.089 1.00 0.00 H new ATOM 1440 N SER A 93 9.545 5.668 4.928 1.00 0.00 N ATOM 1441 CA SER A 93 8.697 6.443 4.030 1.00 0.00 C ATOM 1442 C SER A 93 7.245 6.417 4.496 1.00 0.00 C ATOM 1443 O SER A 93 6.812 5.477 5.163 1.00 0.00 O ATOM 1444 CB SER A 93 8.797 5.899 2.604 1.00 0.00 C ATOM 1445 OG SER A 93 8.139 6.753 1.685 1.00 0.00 O ATOM 0 H SER A 93 9.151 4.770 5.209 1.00 0.00 H new ATOM 0 HA SER A 93 9.045 7.476 4.042 1.00 0.00 H new ATOM 0 HB2 SER A 93 9.845 5.796 2.323 1.00 0.00 H new ATOM 0 HB3 SER A 93 8.356 4.903 2.560 1.00 0.00 H new ATOM 0 HG SER A 93 8.294 7.687 1.937 1.00 0.00 H new ATOM 1451 N MET A 94 6.497 7.457 4.140 1.00 0.00 N ATOM 1452 CA MET A 94 5.093 7.553 4.521 1.00 0.00 C ATOM 1453 C MET A 94 4.244 8.035 3.349 1.00 0.00 C ATOM 1454 O MET A 94 4.623 8.967 2.638 1.00 0.00 O ATOM 1455 CB MET A 94 4.928 8.502 5.709 1.00 0.00 C ATOM 1456 CG MET A 94 3.686 8.226 6.541 1.00 0.00 C ATOM 1457 SD MET A 94 3.035 9.709 7.332 1.00 0.00 S ATOM 1458 CE MET A 94 1.978 10.349 6.034 1.00 0.00 C ATOM 0 H MET A 94 6.840 8.244 3.589 1.00 0.00 H new ATOM 0 HA MET A 94 4.752 6.559 4.810 1.00 0.00 H new ATOM 0 HB2 MET A 94 5.808 8.426 6.348 1.00 0.00 H new ATOM 0 HB3 MET A 94 4.888 9.527 5.341 1.00 0.00 H new ATOM 0 HG2 MET A 94 2.916 7.791 5.904 1.00 0.00 H new ATOM 0 HG3 MET A 94 3.923 7.486 7.305 1.00 0.00 H new ATOM 0 HE1 MET A 94 2.414 11.261 5.626 1.00 0.00 H new ATOM 0 HE2 MET A 94 1.884 9.606 5.242 1.00 0.00 H new ATOM 0 HE3 MET A 94 0.992 10.570 6.443 1.00 0.00 H new ATOM 1468 N CYS A 95 3.096 7.396 3.153 1.00 0.00 N ATOM 1469 CA CYS A 95 2.194 7.760 2.066 1.00 0.00 C ATOM 1470 C CYS A 95 0.745 7.464 2.440 1.00 0.00 C ATOM 1471 O CYS A 95 0.471 6.587 3.260 1.00 0.00 O ATOM 1472 CB CYS A 95 2.569 7.005 0.790 1.00 0.00 C ATOM 1473 SG CYS A 95 1.264 6.975 -0.460 1.00 0.00 S ATOM 0 H CYS A 95 2.768 6.623 3.732 1.00 0.00 H new ATOM 0 HA CYS A 95 2.293 8.831 1.888 1.00 0.00 H new ATOM 0 HB2 CYS A 95 3.460 7.462 0.359 1.00 0.00 H new ATOM 0 HB3 CYS A 95 2.831 5.980 1.051 1.00 0.00 H new ATOM 0 HG CYS A 95 1.072 8.177 -0.916 1.00 0.00 H new ATOM 1479 N VAL A 96 -0.180 8.201 1.833 1.00 0.00 N ATOM 1480 CA VAL A 96 -1.601 8.018 2.102 1.00 0.00 C ATOM 1481 C VAL A 96 -2.347 7.588 0.844 1.00 0.00 C ATOM 1482 O VAL A 96 -1.991 7.980 -0.267 1.00 0.00 O ATOM 1483 CB VAL A 96 -2.240 9.309 2.649 1.00 0.00 C ATOM 1484 CG1 VAL A 96 -3.671 9.050 3.093 1.00 0.00 C ATOM 1485 CG2 VAL A 96 -1.410 9.870 3.794 1.00 0.00 C ATOM 0 H VAL A 96 0.030 8.930 1.152 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.682 7.234 2.855 1.00 0.00 H new ATOM 0 HB VAL A 96 -2.262 10.050 1.850 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.106 9.973 3.476 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.257 8.698 2.244 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.677 8.293 3.877 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.876 10.782 4.168 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.354 9.135 4.597 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.405 10.096 3.438 1.00 0.00 H new ATOM 1495 N PHE A 97 -3.386 6.779 1.027 1.00 0.00 N ATOM 1496 CA PHE A 97 -4.183 6.294 -0.094 1.00 0.00 C ATOM 1497 C PHE A 97 -5.618 6.805 -0.001 1.00 0.00 C ATOM 1498 O PHE A 97 -6.236 6.762 1.063 1.00 0.00 O ATOM 1499 CB PHE A 97 -4.175 4.764 -0.129 1.00 0.00 C ATOM 1500 CG PHE A 97 -2.859 4.181 -0.557 1.00 0.00 C ATOM 1501 CD1 PHE A 97 -2.434 4.286 -1.871 1.00 0.00 C ATOM 1502 CD2 PHE A 97 -2.046 3.528 0.356 1.00 0.00 C ATOM 1503 CE1 PHE A 97 -1.223 3.750 -2.268 1.00 0.00 C ATOM 1504 CE2 PHE A 97 -0.834 2.992 -0.035 1.00 0.00 C ATOM 1505 CZ PHE A 97 -0.423 3.102 -1.349 1.00 0.00 C ATOM 0 H PHE A 97 -3.695 6.446 1.940 1.00 0.00 H new ATOM 0 HA PHE A 97 -3.740 6.673 -1.015 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -4.426 4.385 0.861 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.954 4.420 -0.809 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -3.056 4.793 -2.594 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.363 3.437 1.384 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -0.904 3.838 -3.296 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -0.208 2.487 0.686 1.00 0.00 H new ATOM 0 HZ PHE A 97 0.523 2.682 -1.657 1.00 0.00 H new ATOM 1515 N ARG A 98 -6.142 7.287 -1.123 1.00 0.00 N ATOM 1516 CA ARG A 98 -7.503 7.807 -1.169 1.00 0.00 C ATOM 1517 C ARG A 98 -8.288 7.177 -2.316 1.00 0.00 C ATOM 1518 O ARG A 98 -7.706 6.654 -3.267 1.00 0.00 O ATOM 1519 CB ARG A 98 -7.485 9.329 -1.326 1.00 0.00 C ATOM 1520 CG ARG A 98 -7.402 9.792 -2.771 1.00 0.00 C ATOM 1521 CD ARG A 98 -7.349 11.308 -2.868 1.00 0.00 C ATOM 1522 NE ARG A 98 -8.681 11.906 -2.833 1.00 0.00 N ATOM 1523 CZ ARG A 98 -8.907 13.207 -2.975 1.00 0.00 C ATOM 1524 NH1 ARG A 98 -7.895 14.043 -3.161 1.00 0.00 N ATOM 1525 NH2 ARG A 98 -10.148 13.675 -2.931 1.00 0.00 N ATOM 0 H ARG A 98 -5.645 7.328 -2.012 1.00 0.00 H new ATOM 0 HA ARG A 98 -7.995 7.550 -0.231 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -8.385 9.743 -0.872 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -6.636 9.732 -0.775 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -6.516 9.365 -3.241 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -8.265 9.421 -3.323 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -6.753 11.703 -2.046 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -6.847 11.595 -3.792 1.00 0.00 H new ATOM 0 HE ARG A 98 -9.482 11.290 -2.692 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -6.940 13.688 -3.195 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -8.072 15.042 -3.270 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -10.930 13.035 -2.788 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -10.320 14.674 -3.040 1.00 0.00 H new ATOM 1539 N HIS A 99 -9.613 7.230 -2.219 1.00 0.00 N ATOM 1540 CA HIS A 99 -10.478 6.664 -3.248 1.00 0.00 C ATOM 1541 C HIS A 99 -10.642 7.634 -4.414 1.00 0.00 C ATOM 1542 O HIS A 99 -10.688 8.850 -4.221 1.00 0.00 O ATOM 1543 CB HIS A 99 -11.846 6.318 -2.660 1.00 0.00 C ATOM 1544 CG HIS A 99 -12.723 5.547 -3.598 1.00 0.00 C ATOM 1545 ND1 HIS A 99 -13.195 6.066 -4.785 1.00 0.00 N ATOM 1546 CD2 HIS A 99 -13.212 4.287 -3.519 1.00 0.00 C ATOM 1547 CE1 HIS A 99 -13.938 5.160 -5.395 1.00 0.00 C ATOM 1548 NE2 HIS A 99 -13.965 4.071 -4.647 1.00 0.00 N ATOM 0 H HIS A 99 -10.111 7.659 -1.439 1.00 0.00 H new ATOM 0 HA HIS A 99 -10.010 5.753 -3.620 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -11.704 5.738 -1.748 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -12.354 7.240 -2.376 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -13.042 3.583 -2.718 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -14.438 5.288 -6.344 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -14.464 3.210 -4.871 1.00 0.00 H new