USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 513 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 57 MET CE :methyl -169:sc= -0.5 (180deg=-0.659) USER MOD Set 1.2: A 60 GLN : amide:sc= -0.274 K(o=-0.77,f=-4.5!) USER MOD Single : A 6 LYS NZ :NH3+ 167:sc= 1.2 (180deg=1.02) USER MOD Single : A 7 MET CE :methyl -172:sc= -0.4 (180deg=-0.452) USER MOD Single : A 8 LYS NZ :NH3+ 139:sc= 1.12 (180deg=-0.129) USER MOD Single : A 18 THR OG1 : rot -53:sc= 0.965 USER MOD Single : A 19 SER OG : rot 180:sc= 0.0606 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0202) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 35 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0224) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.221 X(o=-0.22,f=-0.082) USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0231 USER MOD Single : A 47 TYR OH : rot 93:sc= 1.21 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 HIS : no HE2:sc= 1.08 K(o=1.1,f=-3.3!) USER MOD Single : A 53 SER OG : rot 63:sc= 1.15 USER MOD Single : A 58 LYS NZ :NH3+ 171:sc= -0.368 (180deg=-0.373) USER MOD Single : A 59 LYS NZ :NH3+ -129:sc= 1 (180deg=-0.908) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 25 N VAL A 3 -4.706 7.399 7.801 1.00 0.00 N ATOM 26 CA VAL A 3 -3.358 7.941 7.759 1.00 0.00 C ATOM 27 C VAL A 3 -2.676 7.488 6.474 1.00 0.00 C ATOM 28 O VAL A 3 -2.950 6.400 5.971 1.00 0.00 O ATOM 29 CB VAL A 3 -2.576 7.579 9.024 1.00 0.00 C ATOM 30 CG1 VAL A 3 -2.100 6.143 8.902 1.00 0.00 C ATOM 31 CG2 VAL A 3 -1.381 8.521 9.261 1.00 0.00 C ATOM 0 HA VAL A 3 -3.395 9.030 7.745 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.237 7.691 9.884 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.540 5.868 9.796 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.960 5.482 8.795 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.457 6.046 8.027 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -0.858 8.224 10.170 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.698 8.463 8.414 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.740 9.545 9.368 1.00 0.00 H new ATOM 41 N VAL A 4 -1.776 8.330 5.973 1.00 0.00 N ATOM 42 CA VAL A 4 -0.976 8.131 4.791 1.00 0.00 C ATOM 43 C VAL A 4 0.179 7.191 5.134 1.00 0.00 C ATOM 44 O VAL A 4 0.991 7.511 6.001 1.00 0.00 O ATOM 45 CB VAL A 4 -0.464 9.521 4.367 1.00 0.00 C ATOM 46 CG1 VAL A 4 0.471 9.435 3.167 1.00 0.00 C ATOM 47 CG2 VAL A 4 -1.613 10.474 4.010 1.00 0.00 C ATOM 0 H VAL A 4 -1.581 9.226 6.420 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.541 7.680 3.975 1.00 0.00 H new ATOM 0 HB VAL A 4 0.077 9.912 5.229 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.811 10.435 2.898 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.331 8.815 3.420 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.059 8.993 2.323 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -1.205 11.442 3.717 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -2.188 10.057 3.183 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -2.263 10.601 4.876 1.00 0.00 H new ATOM 57 N LEU A 5 0.271 6.056 4.436 1.00 0.00 N ATOM 58 CA LEU A 5 1.421 5.155 4.522 1.00 0.00 C ATOM 59 C LEU A 5 2.192 5.149 3.215 1.00 0.00 C ATOM 60 O LEU A 5 1.658 4.711 2.200 1.00 0.00 O ATOM 61 CB LEU A 5 0.974 3.738 4.843 1.00 0.00 C ATOM 62 CG LEU A 5 2.058 2.658 4.629 1.00 0.00 C ATOM 63 CD1 LEU A 5 3.389 2.876 5.363 1.00 0.00 C ATOM 64 CD2 LEU A 5 1.448 1.335 5.074 1.00 0.00 C ATOM 0 H LEU A 5 -0.453 5.736 3.793 1.00 0.00 H new ATOM 0 HA LEU A 5 2.067 5.517 5.322 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.643 3.702 5.881 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.110 3.495 4.225 1.00 0.00 H new ATOM 0 HG LEU A 5 2.331 2.690 3.574 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.069 2.055 5.136 1.00 0.00 H new ATOM 0 HD12 LEU A 5 3.834 3.816 5.037 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.210 2.912 6.438 1.00 0.00 H new ATOM 0 HD21 LEU A 5 2.177 0.536 4.942 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.166 1.400 6.125 1.00 0.00 H new ATOM 0 HD23 LEU A 5 0.564 1.122 4.474 1.00 0.00 H new ATOM 76 N LYS A 6 3.463 5.550 3.279 1.00 0.00 N ATOM 77 CA LYS A 6 4.432 5.434 2.194 1.00 0.00 C ATOM 78 C LYS A 6 5.177 4.103 2.313 1.00 0.00 C ATOM 79 O LYS A 6 5.736 3.804 3.368 1.00 0.00 O ATOM 80 CB LYS A 6 5.405 6.638 2.201 1.00 0.00 C ATOM 81 CG LYS A 6 5.135 7.620 1.047 1.00 0.00 C ATOM 82 CD LYS A 6 6.185 7.595 -0.075 1.00 0.00 C ATOM 83 CE LYS A 6 7.292 8.651 0.080 1.00 0.00 C ATOM 84 NZ LYS A 6 8.422 8.161 0.886 1.00 0.00 N ATOM 0 H LYS A 6 3.857 5.978 4.117 1.00 0.00 H new ATOM 0 HA LYS A 6 3.909 5.449 1.238 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.318 7.166 3.151 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.430 6.273 2.131 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.159 7.396 0.618 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.080 8.630 1.453 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.643 6.606 -0.108 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.684 7.747 -1.031 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.652 8.944 -0.906 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.876 9.544 0.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.229 8.809 0.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.141 8.115 1.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.696 7.213 0.559 1.00 0.00 H new ATOM 98 N MET A 7 5.197 3.315 1.235 1.00 0.00 N ATOM 99 CA MET A 7 5.854 2.023 1.161 1.00 0.00 C ATOM 100 C MET A 7 6.691 1.943 -0.115 1.00 0.00 C ATOM 101 O MET A 7 6.414 2.655 -1.083 1.00 0.00 O ATOM 102 CB MET A 7 4.799 0.914 1.223 1.00 0.00 C ATOM 103 CG MET A 7 3.889 0.864 -0.010 1.00 0.00 C ATOM 104 SD MET A 7 2.583 -0.378 0.109 1.00 0.00 S ATOM 105 CE MET A 7 1.753 -0.217 -1.486 1.00 0.00 C ATOM 0 H MET A 7 4.737 3.575 0.362 1.00 0.00 H new ATOM 0 HA MET A 7 6.529 1.893 2.007 1.00 0.00 H new ATOM 0 HB2 MET A 7 5.300 -0.047 1.334 1.00 0.00 H new ATOM 0 HB3 MET A 7 4.185 1.057 2.112 1.00 0.00 H new ATOM 0 HG2 MET A 7 3.435 1.844 -0.157 1.00 0.00 H new ATOM 0 HG3 MET A 7 4.496 0.658 -0.892 1.00 0.00 H new ATOM 0 HE1 MET A 7 0.847 -0.822 -1.487 1.00 0.00 H new ATOM 0 HE2 MET A 7 1.492 0.827 -1.657 1.00 0.00 H new ATOM 0 HE3 MET A 7 2.419 -0.559 -2.279 1.00 0.00 H new ATOM 115 N LYS A 8 7.684 1.053 -0.110 1.00 0.00 N ATOM 116 CA LYS A 8 8.500 0.724 -1.266 1.00 0.00 C ATOM 117 C LYS A 8 7.869 -0.488 -1.948 1.00 0.00 C ATOM 118 O LYS A 8 7.493 -1.446 -1.268 1.00 0.00 O ATOM 119 CB LYS A 8 9.941 0.427 -0.810 1.00 0.00 C ATOM 120 CG LYS A 8 10.876 1.598 -1.138 1.00 0.00 C ATOM 121 CD LYS A 8 11.195 1.624 -2.644 1.00 0.00 C ATOM 122 CE LYS A 8 12.703 1.526 -2.927 1.00 0.00 C ATOM 123 NZ LYS A 8 12.981 0.948 -4.257 1.00 0.00 N ATOM 0 H LYS A 8 7.946 0.529 0.725 1.00 0.00 H new ATOM 0 HA LYS A 8 8.543 1.554 -1.971 1.00 0.00 H new ATOM 0 HB2 LYS A 8 9.954 0.237 0.263 1.00 0.00 H new ATOM 0 HB3 LYS A 8 10.301 -0.478 -1.299 1.00 0.00 H new ATOM 0 HG2 LYS A 8 10.410 2.538 -0.842 1.00 0.00 H new ATOM 0 HG3 LYS A 8 11.799 1.506 -0.566 1.00 0.00 H new ATOM 0 HD2 LYS A 8 10.682 0.797 -3.135 1.00 0.00 H new ATOM 0 HD3 LYS A 8 10.806 2.545 -3.079 1.00 0.00 H new ATOM 0 HE2 LYS A 8 13.149 2.519 -2.863 1.00 0.00 H new ATOM 0 HE3 LYS A 8 13.177 0.914 -2.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 13.763 1.468 -4.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 13.245 -0.052 -4.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 12.131 1.021 -4.852 1.00 0.00 H new ATOM 137 N VAL A 9 7.737 -0.434 -3.276 1.00 0.00 N ATOM 138 CA VAL A 9 7.167 -1.489 -4.101 1.00 0.00 C ATOM 139 C VAL A 9 8.137 -1.790 -5.237 1.00 0.00 C ATOM 140 O VAL A 9 7.963 -1.327 -6.363 1.00 0.00 O ATOM 141 CB VAL A 9 5.773 -1.102 -4.623 1.00 0.00 C ATOM 142 CG1 VAL A 9 5.082 -2.347 -5.192 1.00 0.00 C ATOM 143 CG2 VAL A 9 4.888 -0.520 -3.522 1.00 0.00 C ATOM 0 H VAL A 9 8.036 0.376 -3.820 1.00 0.00 H new ATOM 0 HA VAL A 9 7.026 -2.389 -3.502 1.00 0.00 H new ATOM 0 HB VAL A 9 5.911 -0.341 -5.391 1.00 0.00 H new ATOM 0 HG11 VAL A 9 4.093 -2.077 -5.563 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.678 -2.752 -6.010 1.00 0.00 H new ATOM 0 HG13 VAL A 9 4.983 -3.098 -4.408 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.914 -0.261 -3.937 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.761 -1.258 -2.730 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.357 0.375 -3.113 1.00 0.00 H new ATOM 153 N GLU A 10 9.175 -2.560 -4.927 1.00 0.00 N ATOM 154 CA GLU A 10 10.159 -2.974 -5.908 1.00 0.00 C ATOM 155 C GLU A 10 9.598 -4.178 -6.674 1.00 0.00 C ATOM 156 O GLU A 10 8.849 -4.972 -6.104 1.00 0.00 O ATOM 157 CB GLU A 10 11.512 -3.258 -5.232 1.00 0.00 C ATOM 158 CG GLU A 10 11.621 -2.669 -3.816 1.00 0.00 C ATOM 159 CD GLU A 10 13.069 -2.524 -3.385 1.00 0.00 C ATOM 160 OE1 GLU A 10 13.636 -1.477 -3.771 1.00 0.00 O ATOM 161 OE2 GLU A 10 13.568 -3.424 -2.681 1.00 0.00 O ATOM 0 H GLU A 10 9.353 -2.912 -3.987 1.00 0.00 H new ATOM 0 HA GLU A 10 10.352 -2.177 -6.626 1.00 0.00 H new ATOM 0 HB2 GLU A 10 11.666 -4.336 -5.182 1.00 0.00 H new ATOM 0 HB3 GLU A 10 12.312 -2.850 -5.850 1.00 0.00 H new ATOM 0 HG2 GLU A 10 11.132 -1.695 -3.787 1.00 0.00 H new ATOM 0 HG3 GLU A 10 11.093 -3.312 -3.112 1.00 0.00 H new ATOM 168 N GLY A 11 9.937 -4.314 -7.960 1.00 0.00 N ATOM 169 CA GLY A 11 9.622 -5.515 -8.730 1.00 0.00 C ATOM 170 C GLY A 11 8.782 -5.239 -9.976 1.00 0.00 C ATOM 171 O GLY A 11 9.007 -5.872 -11.006 1.00 0.00 O ATOM 0 H GLY A 11 10.434 -3.599 -8.491 1.00 0.00 H new ATOM 0 HA2 GLY A 11 10.552 -5.999 -9.029 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.088 -6.217 -8.090 1.00 0.00 H new ATOM 256 N THR A 18 -0.303 -0.765 -11.516 1.00 0.00 N ATOM 257 CA THR A 18 -0.712 0.239 -10.544 1.00 0.00 C ATOM 258 C THR A 18 -2.211 0.063 -10.357 1.00 0.00 C ATOM 259 O THR A 18 -2.624 -0.514 -9.360 1.00 0.00 O ATOM 260 CB THR A 18 -0.224 1.651 -10.917 1.00 0.00 C ATOM 261 OG1 THR A 18 -0.866 2.725 -10.267 1.00 0.00 O ATOM 262 CG2 THR A 18 -0.159 1.885 -12.412 1.00 0.00 C ATOM 0 HA THR A 18 -0.234 0.101 -9.574 1.00 0.00 H new ATOM 0 HB THR A 18 0.792 1.652 -10.522 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.836 2.646 -10.385 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.192 2.898 -12.607 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.529 1.170 -12.863 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.151 1.755 -12.844 1.00 0.00 H new ATOM 270 N SER A 19 -3.031 0.445 -11.338 1.00 0.00 N ATOM 271 CA SER A 19 -4.473 0.503 -11.188 1.00 0.00 C ATOM 272 C SER A 19 -5.111 -0.772 -10.682 1.00 0.00 C ATOM 273 O SER A 19 -6.007 -0.725 -9.840 1.00 0.00 O ATOM 274 CB SER A 19 -5.084 1.002 -12.495 1.00 0.00 C ATOM 275 OG SER A 19 -4.231 1.995 -13.039 1.00 0.00 O ATOM 0 H SER A 19 -2.703 0.723 -12.263 1.00 0.00 H new ATOM 0 HA SER A 19 -4.692 1.213 -10.390 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.202 0.177 -13.198 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.078 1.413 -12.316 1.00 0.00 H new ATOM 0 HG SER A 19 -4.609 2.325 -13.881 1.00 0.00 H new ATOM 281 N THR A 20 -4.614 -1.907 -11.153 1.00 0.00 N ATOM 282 CA THR A 20 -4.983 -3.187 -10.606 1.00 0.00 C ATOM 283 C THR A 20 -4.824 -3.216 -9.087 1.00 0.00 C ATOM 284 O THR A 20 -5.778 -3.498 -8.360 1.00 0.00 O ATOM 285 CB THR A 20 -4.113 -4.245 -11.287 1.00 0.00 C ATOM 286 OG1 THR A 20 -4.292 -4.158 -12.685 1.00 0.00 O ATOM 287 CG2 THR A 20 -4.527 -5.613 -10.773 1.00 0.00 C ATOM 0 H THR A 20 -3.946 -1.957 -11.923 1.00 0.00 H new ATOM 0 HA THR A 20 -6.037 -3.389 -10.798 1.00 0.00 H new ATOM 0 HB THR A 20 -3.059 -4.084 -11.062 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.736 -4.832 -13.129 1.00 0.00 H new ATOM 0 HG21 THR A 20 -3.916 -6.380 -11.249 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.385 -5.654 -9.693 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.577 -5.788 -11.008 1.00 0.00 H new ATOM 295 N ILE A 21 -3.606 -2.945 -8.617 1.00 0.00 N ATOM 296 CA ILE A 21 -3.291 -2.896 -7.208 1.00 0.00 C ATOM 297 C ILE A 21 -4.187 -1.842 -6.559 1.00 0.00 C ATOM 298 O ILE A 21 -4.863 -2.152 -5.587 1.00 0.00 O ATOM 299 CB ILE A 21 -1.777 -2.646 -7.043 1.00 0.00 C ATOM 300 CG1 ILE A 21 -0.975 -3.954 -7.126 1.00 0.00 C ATOM 301 CG2 ILE A 21 -1.377 -1.983 -5.733 1.00 0.00 C ATOM 302 CD1 ILE A 21 -0.817 -4.424 -8.561 1.00 0.00 C ATOM 0 H ILE A 21 -2.807 -2.752 -9.221 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.494 -3.837 -6.697 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.547 -1.968 -7.865 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.009 -3.807 -6.681 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -1.477 -4.726 -6.543 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.296 -1.849 -5.709 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.865 -1.012 -5.653 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.683 -2.613 -4.898 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.245 -5.351 -8.579 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.801 -4.596 -8.998 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.292 -3.662 -9.138 1.00 0.00 H new ATOM 314 N GLU A 22 -4.235 -0.624 -7.101 1.00 0.00 N ATOM 315 CA GLU A 22 -4.926 0.492 -6.476 1.00 0.00 C ATOM 316 C GLU A 22 -6.396 0.142 -6.247 1.00 0.00 C ATOM 317 O GLU A 22 -6.882 0.075 -5.124 1.00 0.00 O ATOM 318 CB GLU A 22 -4.760 1.745 -7.344 1.00 0.00 C ATOM 319 CG GLU A 22 -3.291 2.182 -7.350 1.00 0.00 C ATOM 320 CD GLU A 22 -3.027 3.340 -8.296 1.00 0.00 C ATOM 321 OE1 GLU A 22 -3.315 3.151 -9.501 1.00 0.00 O ATOM 322 OE2 GLU A 22 -2.495 4.359 -7.799 1.00 0.00 O ATOM 0 H GLU A 22 -3.792 -0.389 -7.989 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.489 0.699 -5.499 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.092 1.540 -8.362 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.387 2.550 -6.960 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.998 2.469 -6.340 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.666 1.336 -7.635 1.00 0.00 H new ATOM 329 N GLY A 23 -7.086 -0.112 -7.347 1.00 0.00 N ATOM 330 CA GLY A 23 -8.464 -0.568 -7.403 1.00 0.00 C ATOM 331 C GLY A 23 -8.728 -1.742 -6.459 1.00 0.00 C ATOM 332 O GLY A 23 -9.646 -1.679 -5.642 1.00 0.00 O ATOM 0 H GLY A 23 -6.677 0.001 -8.275 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.128 0.258 -7.146 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.705 -0.865 -8.424 1.00 0.00 H new ATOM 336 N LYS A 24 -7.945 -2.824 -6.563 1.00 0.00 N ATOM 337 CA LYS A 24 -8.147 -3.998 -5.722 1.00 0.00 C ATOM 338 C LYS A 24 -8.020 -3.628 -4.246 1.00 0.00 C ATOM 339 O LYS A 24 -8.898 -3.925 -3.444 1.00 0.00 O ATOM 340 CB LYS A 24 -7.164 -5.107 -6.116 1.00 0.00 C ATOM 341 CG LYS A 24 -7.291 -6.341 -5.207 1.00 0.00 C ATOM 342 CD LYS A 24 -6.907 -7.618 -5.965 1.00 0.00 C ATOM 343 CE LYS A 24 -8.098 -8.108 -6.807 1.00 0.00 C ATOM 344 NZ LYS A 24 -7.699 -9.106 -7.821 1.00 0.00 N ATOM 0 H LYS A 24 -7.170 -2.905 -7.221 1.00 0.00 H new ATOM 0 HA LYS A 24 -9.157 -4.377 -5.878 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.343 -5.399 -7.151 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.145 -4.723 -6.065 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.648 -6.223 -4.335 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.314 -6.424 -4.840 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.050 -7.424 -6.610 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.606 -8.393 -5.260 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.850 -8.544 -6.149 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.563 -7.256 -7.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.535 -9.405 -8.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.001 -8.685 -8.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.279 -9.932 -7.349 1.00 0.00 H new ATOM 358 N ILE A 25 -6.925 -2.978 -3.877 1.00 0.00 N ATOM 359 CA ILE A 25 -6.677 -2.519 -2.528 1.00 0.00 C ATOM 360 C ILE A 25 -7.809 -1.593 -2.069 1.00 0.00 C ATOM 361 O ILE A 25 -8.258 -1.690 -0.931 1.00 0.00 O ATOM 362 CB ILE A 25 -5.276 -1.881 -2.538 1.00 0.00 C ATOM 363 CG1 ILE A 25 -4.157 -2.895 -2.826 1.00 0.00 C ATOM 364 CG2 ILE A 25 -4.991 -1.045 -1.304 1.00 0.00 C ATOM 365 CD1 ILE A 25 -3.900 -3.800 -1.641 1.00 0.00 C ATOM 0 H ILE A 25 -6.171 -2.753 -4.526 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.677 -3.324 -1.793 1.00 0.00 H new ATOM 0 HB ILE A 25 -5.283 -1.186 -3.378 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.428 -3.499 -3.692 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.241 -2.363 -3.082 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -3.988 -0.624 -1.373 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -5.720 -0.237 -1.235 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -5.060 -1.673 -0.415 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -3.103 -4.502 -1.885 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -3.604 -3.199 -0.782 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.809 -4.352 -1.401 1.00 0.00 H new ATOM 377 N GLY A 26 -8.341 -0.773 -2.972 1.00 0.00 N ATOM 378 CA GLY A 26 -9.512 0.060 -2.750 1.00 0.00 C ATOM 379 C GLY A 26 -10.764 -0.718 -2.328 1.00 0.00 C ATOM 380 O GLY A 26 -11.681 -0.117 -1.775 1.00 0.00 O ATOM 0 H GLY A 26 -7.953 -0.669 -3.909 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -9.280 0.797 -1.982 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.731 0.611 -3.665 1.00 0.00 H new ATOM 384 N LYS A 27 -10.840 -2.031 -2.580 1.00 0.00 N ATOM 385 CA LYS A 27 -11.941 -2.849 -2.105 1.00 0.00 C ATOM 386 C LYS A 27 -11.668 -3.313 -0.676 1.00 0.00 C ATOM 387 O LYS A 27 -12.612 -3.620 0.050 1.00 0.00 O ATOM 388 CB LYS A 27 -12.165 -4.039 -3.045 1.00 0.00 C ATOM 389 CG LYS A 27 -13.228 -3.737 -4.105 1.00 0.00 C ATOM 390 CD LYS A 27 -14.649 -3.724 -3.510 1.00 0.00 C ATOM 391 CE LYS A 27 -15.733 -3.997 -4.563 1.00 0.00 C ATOM 392 NZ LYS A 27 -15.770 -5.415 -4.982 1.00 0.00 N ATOM 0 H LYS A 27 -10.140 -2.545 -3.116 1.00 0.00 H new ATOM 0 HA LYS A 27 -12.854 -2.253 -2.100 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -11.226 -4.296 -3.535 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.469 -4.909 -2.463 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.018 -2.771 -4.564 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -13.173 -4.484 -4.897 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -14.716 -4.474 -2.722 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.835 -2.756 -3.045 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -16.706 -3.715 -4.160 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -15.555 -3.368 -5.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -16.590 -5.573 -5.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.897 -5.648 -5.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -15.848 -6.023 -4.142 1.00 0.00 H new ATOM 406 N LEU A 28 -10.396 -3.440 -0.276 1.00 0.00 N ATOM 407 CA LEU A 28 -10.061 -4.091 0.959 1.00 0.00 C ATOM 408 C LEU A 28 -10.470 -3.276 2.186 1.00 0.00 C ATOM 409 O LEU A 28 -10.280 -2.061 2.266 1.00 0.00 O ATOM 410 CB LEU A 28 -8.572 -4.395 1.006 1.00 0.00 C ATOM 411 CG LEU A 28 -8.039 -5.512 0.093 1.00 0.00 C ATOM 412 CD1 LEU A 28 -7.609 -6.658 0.998 1.00 0.00 C ATOM 413 CD2 LEU A 28 -9.037 -6.108 -0.894 1.00 0.00 C ATOM 0 H LEU A 28 -9.594 -3.094 -0.803 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.627 -5.022 0.991 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.035 -3.478 0.762 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.315 -4.651 2.034 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.249 -5.053 -0.502 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.222 -7.476 0.390 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.831 -6.312 1.678 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.466 -7.007 1.574 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.548 -6.884 -1.482 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.875 -6.541 -0.348 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.403 -5.325 -1.559 1.00 0.00 H new ATOM 425 N GLN A 29 -10.985 -3.999 3.176 1.00 0.00 N ATOM 426 CA GLN A 29 -11.380 -3.477 4.471 1.00 0.00 C ATOM 427 C GLN A 29 -10.237 -2.704 5.138 1.00 0.00 C ATOM 428 O GLN A 29 -9.204 -3.279 5.473 1.00 0.00 O ATOM 429 CB GLN A 29 -11.934 -4.619 5.333 1.00 0.00 C ATOM 430 CG GLN A 29 -10.869 -5.677 5.632 1.00 0.00 C ATOM 431 CD GLN A 29 -11.481 -7.062 5.793 1.00 0.00 C ATOM 432 OE1 GLN A 29 -11.769 -7.729 4.805 1.00 0.00 O ATOM 433 NE2 GLN A 29 -11.696 -7.509 7.025 1.00 0.00 N ATOM 0 H GLN A 29 -11.143 -5.003 3.090 1.00 0.00 H new ATOM 0 HA GLN A 29 -12.180 -2.747 4.344 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.316 -4.214 6.270 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.775 -5.085 4.820 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.137 -5.694 4.825 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.334 -5.407 6.542 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -11.446 -6.932 7.828 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -12.111 -8.430 7.168 1.00 0.00 H new ATOM 442 N GLY A 30 -10.425 -1.396 5.328 1.00 0.00 N ATOM 443 CA GLY A 30 -9.509 -0.540 6.065 1.00 0.00 C ATOM 444 C GLY A 30 -8.958 0.578 5.204 1.00 0.00 C ATOM 445 O GLY A 30 -8.620 1.638 5.730 1.00 0.00 O ATOM 0 H GLY A 30 -11.237 -0.898 4.964 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.024 -0.114 6.926 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.685 -1.139 6.452 1.00 0.00 H new ATOM 449 N VAL A 31 -8.855 0.352 3.896 1.00 0.00 N ATOM 450 CA VAL A 31 -8.307 1.327 2.986 1.00 0.00 C ATOM 451 C VAL A 31 -9.363 2.368 2.638 1.00 0.00 C ATOM 452 O VAL A 31 -10.534 2.039 2.458 1.00 0.00 O ATOM 453 CB VAL A 31 -7.759 0.577 1.770 1.00 0.00 C ATOM 454 CG1 VAL A 31 -7.718 1.432 0.504 1.00 0.00 C ATOM 455 CG2 VAL A 31 -6.345 0.115 2.120 1.00 0.00 C ATOM 0 H VAL A 31 -9.152 -0.515 3.448 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.484 1.882 3.437 1.00 0.00 H new ATOM 0 HB VAL A 31 -8.423 -0.259 1.552 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.320 0.842 -0.321 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.726 1.766 0.258 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -7.079 2.299 0.671 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.919 -0.426 1.275 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.724 0.982 2.346 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.381 -0.541 2.989 1.00 0.00 H new ATOM 465 N GLN A 32 -8.921 3.623 2.536 1.00 0.00 N ATOM 466 CA GLN A 32 -9.734 4.748 2.099 1.00 0.00 C ATOM 467 C GLN A 32 -9.147 5.426 0.859 1.00 0.00 C ATOM 468 O GLN A 32 -9.882 6.091 0.131 1.00 0.00 O ATOM 469 CB GLN A 32 -9.957 5.703 3.266 1.00 0.00 C ATOM 470 CG GLN A 32 -11.108 5.226 4.168 1.00 0.00 C ATOM 471 CD GLN A 32 -12.452 5.800 3.729 1.00 0.00 C ATOM 472 OE1 GLN A 32 -12.966 5.456 2.669 1.00 0.00 O ATOM 473 NE2 GLN A 32 -13.038 6.682 4.533 1.00 0.00 N ATOM 0 H GLN A 32 -7.962 3.887 2.762 1.00 0.00 H new ATOM 0 HA GLN A 32 -10.712 4.384 1.785 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -9.042 5.783 3.853 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -10.180 6.700 2.885 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -11.155 4.137 4.150 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -10.907 5.520 5.198 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -12.589 6.951 5.409 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -13.936 7.090 4.274 1.00 0.00 H new ATOM 482 N ARG A 33 -7.846 5.269 0.577 1.00 0.00 N ATOM 483 CA ARG A 33 -7.267 5.754 -0.666 1.00 0.00 C ATOM 484 C ARG A 33 -5.948 5.037 -0.933 1.00 0.00 C ATOM 485 O ARG A 33 -5.386 4.416 -0.032 1.00 0.00 O ATOM 486 CB ARG A 33 -7.096 7.285 -0.607 1.00 0.00 C ATOM 487 CG ARG A 33 -7.903 7.974 -1.716 1.00 0.00 C ATOM 488 CD ARG A 33 -8.109 9.461 -1.403 1.00 0.00 C ATOM 489 NE ARG A 33 -8.879 10.116 -2.473 1.00 0.00 N ATOM 490 CZ ARG A 33 -9.476 11.317 -2.377 1.00 0.00 C ATOM 491 NH1 ARG A 33 -9.364 12.031 -1.250 1.00 0.00 N ATOM 492 NH2 ARG A 33 -10.174 11.799 -3.410 1.00 0.00 N ATOM 0 H ARG A 33 -7.181 4.809 1.199 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.937 5.535 -1.498 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.421 7.653 0.366 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.041 7.540 -0.708 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -7.383 7.868 -2.668 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.871 7.484 -1.824 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.633 9.569 -0.453 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.142 9.952 -1.291 1.00 0.00 H new ATOM 0 HE ARG A 33 -8.967 9.618 -3.359 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.826 11.664 -0.465 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -9.817 12.942 -1.176 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -10.253 11.256 -4.270 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -10.627 12.710 -3.339 1.00 0.00 H new ATOM 506 N ILE A 34 -5.457 5.134 -2.172 1.00 0.00 N ATOM 507 CA ILE A 34 -4.166 4.607 -2.575 1.00 0.00 C ATOM 508 C ILE A 34 -3.677 5.390 -3.795 1.00 0.00 C ATOM 509 O ILE A 34 -4.495 5.826 -4.603 1.00 0.00 O ATOM 510 CB ILE A 34 -4.241 3.084 -2.804 1.00 0.00 C ATOM 511 CG1 ILE A 34 -2.840 2.568 -3.171 1.00 0.00 C ATOM 512 CG2 ILE A 34 -5.288 2.689 -3.864 1.00 0.00 C ATOM 513 CD1 ILE A 34 -2.676 1.059 -2.997 1.00 0.00 C ATOM 0 H ILE A 34 -5.961 5.591 -2.932 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.431 4.741 -1.781 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.575 2.613 -1.879 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.626 2.831 -4.207 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.101 3.078 -2.553 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.295 1.605 -3.982 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.274 3.026 -3.545 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.036 3.156 -4.816 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.663 0.769 -3.275 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.858 0.791 -1.956 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.390 0.539 -3.636 1.00 0.00 H new ATOM 525 N LYS A 35 -2.364 5.634 -3.872 1.00 0.00 N ATOM 526 CA LYS A 35 -1.659 6.196 -5.012 1.00 0.00 C ATOM 527 C LYS A 35 -0.381 5.369 -5.185 1.00 0.00 C ATOM 528 O LYS A 35 0.474 5.408 -4.301 1.00 0.00 O ATOM 529 CB LYS A 35 -1.267 7.661 -4.749 1.00 0.00 C ATOM 530 CG LYS A 35 -2.414 8.678 -4.670 1.00 0.00 C ATOM 531 CD LYS A 35 -3.098 8.723 -3.291 1.00 0.00 C ATOM 532 CE LYS A 35 -3.789 10.068 -3.027 1.00 0.00 C ATOM 533 NZ LYS A 35 -2.826 11.150 -2.728 1.00 0.00 N ATOM 0 H LYS A 35 -1.737 5.431 -3.094 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.294 6.169 -5.898 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.711 7.702 -3.812 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.585 7.978 -5.538 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.028 9.669 -4.908 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.158 8.435 -5.429 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.833 7.921 -3.226 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.356 8.539 -2.514 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.383 10.345 -3.898 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.480 9.960 -2.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -3.343 12.006 -2.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.197 10.851 -1.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.260 11.355 -3.576 1.00 0.00 H new ATOM 547 N VAL A 36 -0.236 4.615 -6.275 1.00 0.00 N ATOM 548 CA VAL A 36 0.971 3.833 -6.541 1.00 0.00 C ATOM 549 C VAL A 36 1.855 4.578 -7.545 1.00 0.00 C ATOM 550 O VAL A 36 1.591 4.556 -8.747 1.00 0.00 O ATOM 551 CB VAL A 36 0.578 2.424 -7.018 1.00 0.00 C ATOM 552 CG1 VAL A 36 1.783 1.590 -7.460 1.00 0.00 C ATOM 553 CG2 VAL A 36 -0.106 1.655 -5.885 1.00 0.00 C ATOM 0 H VAL A 36 -0.951 4.529 -6.997 1.00 0.00 H new ATOM 0 HA VAL A 36 1.556 3.710 -5.630 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.088 2.571 -7.869 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.445 0.606 -7.786 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.290 2.091 -8.285 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.474 1.478 -6.624 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.380 0.659 -6.234 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.577 1.568 -5.040 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.003 2.189 -5.573 1.00 0.00 H new ATOM 563 N SER A 37 2.935 5.219 -7.084 1.00 0.00 N ATOM 564 CA SER A 37 3.905 5.870 -7.916 1.00 0.00 C ATOM 565 C SER A 37 4.785 4.832 -8.616 1.00 0.00 C ATOM 566 O SER A 37 5.965 4.653 -8.293 1.00 0.00 O ATOM 567 CB SER A 37 4.685 6.811 -7.011 1.00 0.00 C ATOM 568 OG SER A 37 3.801 7.644 -6.281 1.00 0.00 O ATOM 0 H SER A 37 3.148 5.291 -6.089 1.00 0.00 H new ATOM 0 HA SER A 37 3.444 6.445 -8.719 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.302 6.234 -6.322 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.361 7.423 -7.609 1.00 0.00 H new ATOM 0 HG SER A 37 4.318 8.242 -5.702 1.00 0.00 H new ATOM 574 N LEU A 38 4.182 4.169 -9.605 1.00 0.00 N ATOM 575 CA LEU A 38 4.850 3.335 -10.590 1.00 0.00 C ATOM 576 C LEU A 38 6.017 4.108 -11.219 1.00 0.00 C ATOM 577 O LEU A 38 6.107 5.328 -11.066 1.00 0.00 O ATOM 578 CB LEU A 38 3.813 2.889 -11.633 1.00 0.00 C ATOM 579 CG LEU A 38 3.785 1.389 -11.956 1.00 0.00 C ATOM 580 CD1 LEU A 38 5.022 0.901 -12.706 1.00 0.00 C ATOM 581 CD2 LEU A 38 3.555 0.473 -10.747 1.00 0.00 C ATOM 0 H LEU A 38 3.172 4.204 -9.742 1.00 0.00 H new ATOM 0 HA LEU A 38 5.273 2.444 -10.125 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.824 3.183 -11.282 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.998 3.436 -12.557 1.00 0.00 H new ATOM 0 HG LEU A 38 2.914 1.311 -12.607 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.932 -0.168 -12.900 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.108 1.435 -13.652 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.910 1.087 -12.102 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.551 -0.567 -11.074 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.354 0.622 -10.020 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.596 0.712 -10.287 1.00 0.00 H new ATOM 593 N ASP A 39 6.951 3.378 -11.836 1.00 0.00 N ATOM 594 CA ASP A 39 8.300 3.776 -12.206 1.00 0.00 C ATOM 595 C ASP A 39 9.143 4.049 -10.973 1.00 0.00 C ATOM 596 O ASP A 39 10.231 3.498 -10.833 1.00 0.00 O ATOM 597 CB ASP A 39 8.330 4.979 -13.136 1.00 0.00 C ATOM 598 CG ASP A 39 7.773 4.632 -14.511 1.00 0.00 C ATOM 599 OD1 ASP A 39 8.526 3.999 -15.283 1.00 0.00 O ATOM 600 OD2 ASP A 39 6.593 4.963 -14.753 1.00 0.00 O ATOM 0 H ASP A 39 6.760 2.414 -12.109 1.00 0.00 H new ATOM 0 HA ASP A 39 8.725 2.935 -12.755 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.749 5.792 -12.701 1.00 0.00 H new ATOM 0 HB3 ASP A 39 9.354 5.338 -13.237 1.00 0.00 H new ATOM 605 N ASN A 40 8.656 4.914 -10.082 1.00 0.00 N ATOM 606 CA ASN A 40 9.445 5.365 -8.954 1.00 0.00 C ATOM 607 C ASN A 40 9.714 4.233 -7.950 1.00 0.00 C ATOM 608 O ASN A 40 10.658 4.305 -7.168 1.00 0.00 O ATOM 609 CB ASN A 40 8.782 6.554 -8.253 1.00 0.00 C ATOM 610 CG ASN A 40 9.813 7.401 -7.511 1.00 0.00 C ATOM 611 OD1 ASN A 40 10.753 7.909 -8.111 1.00 0.00 O ATOM 612 ND2 ASN A 40 9.644 7.598 -6.207 1.00 0.00 N ATOM 0 H ASN A 40 7.718 5.312 -10.127 1.00 0.00 H new ATOM 0 HA ASN A 40 10.406 5.690 -9.352 1.00 0.00 H new ATOM 0 HB2 ASN A 40 8.262 7.169 -8.988 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.031 6.193 -7.551 1.00 0.00 H new ATOM 0 HD21 ASN A 40 10.303 8.180 -5.690 1.00 0.00 H new ATOM 0 HD22 ASN A 40 8.856 7.167 -5.724 1.00 0.00 H new ATOM 619 N GLN A 41 8.852 3.206 -7.958 1.00 0.00 N ATOM 620 CA GLN A 41 8.866 2.032 -7.072 1.00 0.00 C ATOM 621 C GLN A 41 8.515 2.399 -5.642 1.00 0.00 C ATOM 622 O GLN A 41 8.897 1.720 -4.689 1.00 0.00 O ATOM 623 CB GLN A 41 10.194 1.281 -7.122 1.00 0.00 C ATOM 624 CG GLN A 41 10.512 1.019 -8.578 1.00 0.00 C ATOM 625 CD GLN A 41 11.682 0.053 -8.710 1.00 0.00 C ATOM 626 OE1 GLN A 41 11.497 -1.156 -8.820 1.00 0.00 O ATOM 627 NE2 GLN A 41 12.903 0.578 -8.647 1.00 0.00 N ATOM 0 H GLN A 41 8.080 3.170 -8.623 1.00 0.00 H new ATOM 0 HA GLN A 41 8.095 1.360 -7.449 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.985 1.869 -6.656 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.126 0.344 -6.569 1.00 0.00 H new ATOM 0 HG2 GLN A 41 9.636 0.606 -9.078 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.751 1.958 -9.077 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.020 1.587 -8.556 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.722 -0.029 -8.690 1.00 0.00 H new ATOM 636 N GLU A 42 7.756 3.476 -5.538 1.00 0.00 N ATOM 637 CA GLU A 42 7.239 4.029 -4.299 1.00 0.00 C ATOM 638 C GLU A 42 5.712 3.961 -4.385 1.00 0.00 C ATOM 639 O GLU A 42 5.156 4.030 -5.479 1.00 0.00 O ATOM 640 CB GLU A 42 7.772 5.464 -4.149 1.00 0.00 C ATOM 641 CG GLU A 42 7.705 5.999 -2.707 1.00 0.00 C ATOM 642 CD GLU A 42 8.840 5.537 -1.788 1.00 0.00 C ATOM 643 OE1 GLU A 42 9.497 4.530 -2.114 1.00 0.00 O ATOM 644 OE2 GLU A 42 9.031 6.214 -0.748 1.00 0.00 O ATOM 0 H GLU A 42 7.470 4.015 -6.356 1.00 0.00 H new ATOM 0 HA GLU A 42 7.560 3.477 -3.416 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.806 5.496 -4.492 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.200 6.125 -4.800 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.706 7.088 -2.740 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.755 5.694 -2.267 1.00 0.00 H new ATOM 651 N ALA A 43 5.012 3.818 -3.261 1.00 0.00 N ATOM 652 CA ALA A 43 3.555 3.840 -3.248 1.00 0.00 C ATOM 653 C ALA A 43 3.066 4.434 -1.935 1.00 0.00 C ATOM 654 O ALA A 43 3.811 4.452 -0.955 1.00 0.00 O ATOM 655 CB ALA A 43 3.017 2.426 -3.445 1.00 0.00 C ATOM 0 H ALA A 43 5.436 3.685 -2.343 1.00 0.00 H new ATOM 0 HA ALA A 43 3.188 4.462 -4.065 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.927 2.447 -3.435 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.363 2.035 -4.402 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.375 1.785 -2.640 1.00 0.00 H new ATOM 661 N THR A 44 1.818 4.903 -1.922 1.00 0.00 N ATOM 662 CA THR A 44 1.180 5.565 -0.813 1.00 0.00 C ATOM 663 C THR A 44 -0.197 4.930 -0.633 1.00 0.00 C ATOM 664 O THR A 44 -1.078 5.205 -1.444 1.00 0.00 O ATOM 665 CB THR A 44 1.057 7.058 -1.143 1.00 0.00 C ATOM 666 OG1 THR A 44 2.323 7.676 -1.093 1.00 0.00 O ATOM 667 CG2 THR A 44 0.145 7.768 -0.146 1.00 0.00 C ATOM 0 H THR A 44 1.204 4.821 -2.732 1.00 0.00 H new ATOM 0 HA THR A 44 1.753 5.461 0.108 1.00 0.00 H new ATOM 0 HB THR A 44 0.635 7.135 -2.145 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.231 8.628 -1.307 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.076 8.825 -0.404 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.849 7.321 -0.179 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.555 7.666 0.859 1.00 0.00 H new ATOM 675 N ILE A 45 -0.411 4.106 0.396 1.00 0.00 N ATOM 676 CA ILE A 45 -1.756 3.690 0.777 1.00 0.00 C ATOM 677 C ILE A 45 -2.294 4.700 1.800 1.00 0.00 C ATOM 678 O ILE A 45 -1.509 5.441 2.389 1.00 0.00 O ATOM 679 CB ILE A 45 -1.746 2.265 1.347 1.00 0.00 C ATOM 680 CG1 ILE A 45 -0.788 1.382 0.541 1.00 0.00 C ATOM 681 CG2 ILE A 45 -3.172 1.681 1.326 1.00 0.00 C ATOM 682 CD1 ILE A 45 -0.837 -0.044 1.057 1.00 0.00 C ATOM 0 H ILE A 45 0.331 3.716 0.977 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.407 3.673 -0.097 1.00 0.00 H new ATOM 0 HB ILE A 45 -1.399 2.295 2.380 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.060 1.405 -0.514 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.228 1.770 0.617 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.157 0.670 1.732 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.830 2.305 1.931 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.539 1.655 0.300 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.153 -0.664 0.478 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.543 -0.062 2.106 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.851 -0.432 0.958 1.00 0.00 H new ATOM 694 N VAL A 46 -3.605 4.736 2.043 1.00 0.00 N ATOM 695 CA VAL A 46 -4.233 5.453 3.139 1.00 0.00 C ATOM 696 C VAL A 46 -5.216 4.501 3.839 1.00 0.00 C ATOM 697 O VAL A 46 -6.150 4.013 3.195 1.00 0.00 O ATOM 698 CB VAL A 46 -4.871 6.727 2.566 1.00 0.00 C ATOM 699 CG1 VAL A 46 -6.195 7.129 3.222 1.00 0.00 C ATOM 700 CG2 VAL A 46 -3.910 7.908 2.625 1.00 0.00 C ATOM 0 H VAL A 46 -4.279 4.246 1.455 1.00 0.00 H new ATOM 0 HA VAL A 46 -3.525 5.775 3.903 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.095 6.471 1.530 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.571 8.039 2.754 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.922 6.327 3.094 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.035 7.308 4.285 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -4.395 8.792 2.211 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.631 8.098 3.661 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.016 7.679 2.045 1.00 0.00 H new ATOM 710 N TYR A 47 -4.980 4.204 5.127 1.00 0.00 N ATOM 711 CA TYR A 47 -5.755 3.252 5.935 1.00 0.00 C ATOM 712 C TYR A 47 -5.599 3.553 7.434 1.00 0.00 C ATOM 713 O TYR A 47 -4.939 4.530 7.781 1.00 0.00 O ATOM 714 CB TYR A 47 -5.397 1.797 5.590 1.00 0.00 C ATOM 715 CG TYR A 47 -4.020 1.327 6.012 1.00 0.00 C ATOM 716 CD1 TYR A 47 -3.776 0.967 7.348 1.00 0.00 C ATOM 717 CD2 TYR A 47 -3.029 1.091 5.045 1.00 0.00 C ATOM 718 CE1 TYR A 47 -2.511 0.520 7.741 1.00 0.00 C ATOM 719 CE2 TYR A 47 -1.828 0.464 5.412 1.00 0.00 C ATOM 720 CZ TYR A 47 -1.550 0.222 6.768 1.00 0.00 C ATOM 721 OH TYR A 47 -0.349 -0.281 7.154 1.00 0.00 O ATOM 0 H TYR A 47 -4.219 4.635 5.651 1.00 0.00 H new ATOM 0 HA TYR A 47 -6.809 3.378 5.689 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -6.138 1.144 6.051 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -5.487 1.669 4.511 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.571 1.036 8.076 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.191 1.392 4.020 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.277 0.405 8.789 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -1.119 0.168 4.653 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.382 -1.260 7.132 1.00 0.00 H new ATOM 731 N GLN A 48 -6.216 2.750 8.318 1.00 0.00 N ATOM 732 CA GLN A 48 -6.053 2.805 9.767 1.00 0.00 C ATOM 733 C GLN A 48 -5.796 1.434 10.417 1.00 0.00 C ATOM 734 O GLN A 48 -6.382 0.440 9.979 1.00 0.00 O ATOM 735 CB GLN A 48 -7.284 3.461 10.387 1.00 0.00 C ATOM 736 CG GLN A 48 -8.540 3.155 9.579 1.00 0.00 C ATOM 737 CD GLN A 48 -9.809 3.548 10.321 1.00 0.00 C ATOM 738 OE1 GLN A 48 -10.196 4.708 10.320 1.00 0.00 O ATOM 739 NE2 GLN A 48 -10.462 2.595 10.980 1.00 0.00 N ATOM 0 H GLN A 48 -6.865 2.020 8.024 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.160 3.398 9.963 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -7.412 3.106 11.410 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.136 4.540 10.440 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -8.497 3.687 8.628 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -8.571 2.090 9.348 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -10.117 1.635 10.964 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -11.308 2.824 11.502 1.00 0.00 H new ATOM 748 N PRO A 49 -4.966 1.381 11.480 1.00 0.00 N ATOM 749 CA PRO A 49 -4.641 0.167 12.222 1.00 0.00 C ATOM 750 C PRO A 49 -5.836 -0.259 13.080 1.00 0.00 C ATOM 751 O PRO A 49 -5.806 -0.165 14.306 1.00 0.00 O ATOM 752 CB PRO A 49 -3.426 0.541 13.083 1.00 0.00 C ATOM 753 CG PRO A 49 -3.660 2.018 13.385 1.00 0.00 C ATOM 754 CD PRO A 49 -4.282 2.521 12.083 1.00 0.00 C ATOM 0 HA PRO A 49 -4.417 -0.679 11.572 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.379 -0.055 13.995 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -2.489 0.382 12.549 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.327 2.159 14.235 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.731 2.538 13.619 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.981 3.334 12.277 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.516 2.912 11.413 1.00 0.00 H new ATOM 762 N HIS A 50 -6.906 -0.704 12.426 1.00 0.00 N ATOM 763 CA HIS A 50 -8.123 -1.187 13.065 1.00 0.00 C ATOM 764 C HIS A 50 -8.725 -2.289 12.203 1.00 0.00 C ATOM 765 O HIS A 50 -8.929 -3.406 12.667 1.00 0.00 O ATOM 766 CB HIS A 50 -9.117 -0.029 13.266 1.00 0.00 C ATOM 767 CG HIS A 50 -9.198 0.459 14.692 1.00 0.00 C ATOM 768 ND1 HIS A 50 -8.137 0.654 15.546 1.00 0.00 N ATOM 769 CD2 HIS A 50 -10.346 0.706 15.397 1.00 0.00 C ATOM 770 CE1 HIS A 50 -8.638 1.018 16.739 1.00 0.00 C ATOM 771 NE2 HIS A 50 -9.980 1.063 16.697 1.00 0.00 N ATOM 0 H HIS A 50 -6.950 -0.739 11.408 1.00 0.00 H new ATOM 0 HA HIS A 50 -7.891 -1.593 14.050 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -8.828 0.802 12.623 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -10.107 -0.352 12.945 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -7.150 0.543 15.316 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -11.354 0.637 15.016 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -8.043 1.243 17.612 1.00 0.00 H new ATOM 779 N LEU A 51 -9.009 -1.967 10.939 1.00 0.00 N ATOM 780 CA LEU A 51 -9.572 -2.930 10.008 1.00 0.00 C ATOM 781 C LEU A 51 -8.475 -3.808 9.413 1.00 0.00 C ATOM 782 O LEU A 51 -8.787 -4.888 8.916 1.00 0.00 O ATOM 783 CB LEU A 51 -10.357 -2.189 8.921 1.00 0.00 C ATOM 784 CG LEU A 51 -11.713 -1.670 9.428 1.00 0.00 C ATOM 785 CD1 LEU A 51 -12.250 -0.569 8.509 1.00 0.00 C ATOM 786 CD2 LEU A 51 -12.753 -2.796 9.512 1.00 0.00 C ATOM 0 H LEU A 51 -8.855 -1.040 10.541 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.259 -3.590 10.538 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -9.764 -1.351 8.556 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -10.520 -2.857 8.075 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.546 -1.268 10.427 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.210 -0.216 8.886 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -11.543 0.260 8.483 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.380 -0.966 7.502 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -13.698 -2.392 9.874 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -12.899 -3.231 8.523 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -12.401 -3.566 10.199 1.00 0.00 H new ATOM 798 N ILE A 52 -7.210 -3.362 9.449 1.00 0.00 N ATOM 799 CA ILE A 52 -6.094 -4.107 8.911 1.00 0.00 C ATOM 800 C ILE A 52 -4.989 -4.239 9.953 1.00 0.00 C ATOM 801 O ILE A 52 -4.806 -3.326 10.759 1.00 0.00 O ATOM 802 CB ILE A 52 -5.656 -3.422 7.620 1.00 0.00 C ATOM 803 CG1 ILE A 52 -4.706 -4.305 6.819 1.00 0.00 C ATOM 804 CG2 ILE A 52 -4.988 -2.087 7.894 1.00 0.00 C ATOM 805 CD1 ILE A 52 -5.438 -5.541 6.307 1.00 0.00 C ATOM 0 H ILE A 52 -6.946 -2.466 9.858 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.374 -5.132 8.666 1.00 0.00 H new ATOM 0 HB ILE A 52 -6.560 -3.249 7.036 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.296 -3.743 5.980 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.864 -4.605 7.443 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -4.690 -1.629 6.951 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.687 -1.430 8.412 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.107 -2.242 8.517 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.748 -6.163 5.737 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.826 -6.110 7.152 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.265 -5.235 5.666 1.00 0.00 H new ATOM 817 N SER A 53 -4.198 -5.317 9.907 1.00 0.00 N ATOM 818 CA SER A 53 -3.153 -5.572 10.900 1.00 0.00 C ATOM 819 C SER A 53 -1.877 -4.771 10.670 1.00 0.00 C ATOM 820 O SER A 53 -0.794 -5.193 11.068 1.00 0.00 O ATOM 821 CB SER A 53 -2.841 -7.053 10.997 1.00 0.00 C ATOM 822 OG SER A 53 -4.009 -7.793 11.281 1.00 0.00 O ATOM 0 H SER A 53 -4.265 -6.033 9.183 1.00 0.00 H new ATOM 0 HA SER A 53 -3.562 -5.228 11.850 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.404 -7.399 10.060 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.099 -7.223 11.777 1.00 0.00 H new ATOM 0 HG SER A 53 -4.647 -7.693 10.544 1.00 0.00 H new ATOM 828 N VAL A 54 -2.007 -3.633 9.996 1.00 0.00 N ATOM 829 CA VAL A 54 -0.962 -2.722 9.576 1.00 0.00 C ATOM 830 C VAL A 54 -0.166 -3.370 8.449 1.00 0.00 C ATOM 831 O VAL A 54 -0.158 -2.898 7.312 1.00 0.00 O ATOM 832 CB VAL A 54 -0.166 -2.188 10.792 1.00 0.00 C ATOM 833 CG1 VAL A 54 1.335 -2.488 10.775 1.00 0.00 C ATOM 834 CG2 VAL A 54 -0.337 -0.673 10.856 1.00 0.00 C ATOM 0 H VAL A 54 -2.927 -3.301 9.708 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.368 -1.808 9.143 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.573 -2.708 11.659 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.799 -2.072 11.669 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.490 -3.567 10.754 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.786 -2.039 9.890 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.218 -0.280 11.708 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.042 -0.225 9.938 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.394 -0.431 10.968 1.00 0.00 H new ATOM 844 N GLU A 55 0.454 -4.498 8.754 1.00 0.00 N ATOM 845 CA GLU A 55 1.341 -5.171 7.848 1.00 0.00 C ATOM 846 C GLU A 55 0.536 -5.875 6.761 1.00 0.00 C ATOM 847 O GLU A 55 0.965 -5.859 5.610 1.00 0.00 O ATOM 848 CB GLU A 55 2.257 -6.112 8.626 1.00 0.00 C ATOM 849 CG GLU A 55 3.705 -5.900 8.165 1.00 0.00 C ATOM 850 CD GLU A 55 4.645 -6.945 8.746 1.00 0.00 C ATOM 851 OE1 GLU A 55 4.661 -8.056 8.174 1.00 0.00 O ATOM 852 OE2 GLU A 55 5.337 -6.607 9.730 1.00 0.00 O ATOM 0 H GLU A 55 0.347 -4.970 9.652 1.00 0.00 H new ATOM 0 HA GLU A 55 1.985 -4.452 7.343 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.171 -5.921 9.696 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.958 -7.147 8.463 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.748 -5.938 7.077 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.039 -4.906 8.463 1.00 0.00 H new ATOM 859 N GLU A 56 -0.624 -6.469 7.095 1.00 0.00 N ATOM 860 CA GLU A 56 -1.394 -7.253 6.130 1.00 0.00 C ATOM 861 C GLU A 56 -1.526 -6.536 4.785 1.00 0.00 C ATOM 862 O GLU A 56 -1.230 -7.111 3.741 1.00 0.00 O ATOM 863 CB GLU A 56 -2.784 -7.515 6.690 1.00 0.00 C ATOM 864 CG GLU A 56 -2.879 -8.761 7.561 1.00 0.00 C ATOM 865 CD GLU A 56 -4.278 -8.836 8.154 1.00 0.00 C ATOM 866 OE1 GLU A 56 -4.666 -7.818 8.776 1.00 0.00 O ATOM 867 OE2 GLU A 56 -4.935 -9.877 7.951 1.00 0.00 O ATOM 0 H GLU A 56 -1.042 -6.418 8.024 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.862 -8.189 5.963 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.097 -6.651 7.276 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.486 -7.610 5.861 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.671 -9.652 6.969 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.133 -8.725 8.355 1.00 0.00 H new ATOM 874 N MET A 57 -1.963 -5.274 4.820 1.00 0.00 N ATOM 875 CA MET A 57 -2.099 -4.426 3.653 1.00 0.00 C ATOM 876 C MET A 57 -0.875 -4.524 2.735 1.00 0.00 C ATOM 877 O MET A 57 -0.981 -4.833 1.552 1.00 0.00 O ATOM 878 CB MET A 57 -2.343 -2.988 4.141 1.00 0.00 C ATOM 879 CG MET A 57 -3.710 -2.520 3.652 1.00 0.00 C ATOM 880 SD MET A 57 -3.894 -2.442 1.862 1.00 0.00 S ATOM 881 CE MET A 57 -5.479 -3.302 1.735 1.00 0.00 C ATOM 0 H MET A 57 -2.236 -4.811 5.687 1.00 0.00 H new ATOM 0 HA MET A 57 -2.945 -4.755 3.049 1.00 0.00 H new ATOM 0 HB2 MET A 57 -2.299 -2.948 5.229 1.00 0.00 H new ATOM 0 HB3 MET A 57 -1.563 -2.326 3.766 1.00 0.00 H new ATOM 0 HG2 MET A 57 -4.471 -3.191 4.051 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.908 -1.531 4.066 1.00 0.00 H new ATOM 0 HE1 MET A 57 -5.684 -3.535 0.690 1.00 0.00 H new ATOM 0 HE2 MET A 57 -5.439 -4.226 2.312 1.00 0.00 H new ATOM 0 HE3 MET A 57 -6.271 -2.664 2.127 1.00 0.00 H new ATOM 891 N LYS A 58 0.311 -4.284 3.291 1.00 0.00 N ATOM 892 CA LYS A 58 1.556 -4.391 2.555 1.00 0.00 C ATOM 893 C LYS A 58 1.799 -5.824 2.120 1.00 0.00 C ATOM 894 O LYS A 58 2.185 -6.055 0.972 1.00 0.00 O ATOM 895 CB LYS A 58 2.698 -3.930 3.482 1.00 0.00 C ATOM 896 CG LYS A 58 4.082 -4.077 2.843 1.00 0.00 C ATOM 897 CD LYS A 58 4.313 -2.915 1.876 1.00 0.00 C ATOM 898 CE LYS A 58 4.834 -3.434 0.543 1.00 0.00 C ATOM 899 NZ LYS A 58 3.780 -4.138 -0.204 1.00 0.00 N ATOM 0 H LYS A 58 0.429 -4.010 4.266 1.00 0.00 H new ATOM 0 HA LYS A 58 1.510 -3.769 1.661 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.539 -2.887 3.755 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.666 -4.509 4.405 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.853 -4.084 3.613 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.152 -5.027 2.313 1.00 0.00 H new ATOM 0 HD2 LYS A 58 3.382 -2.369 1.723 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.027 -2.212 2.305 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.211 -2.602 -0.052 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.673 -4.108 0.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.116 -4.346 -1.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.546 -5.028 0.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.932 -3.538 -0.256 1.00 0.00 H new ATOM 913 N LYS A 59 1.673 -6.758 3.055 1.00 0.00 N ATOM 914 CA LYS A 59 2.060 -8.133 2.838 1.00 0.00 C ATOM 915 C LYS A 59 1.184 -8.792 1.782 1.00 0.00 C ATOM 916 O LYS A 59 1.658 -9.692 1.097 1.00 0.00 O ATOM 917 CB LYS A 59 2.092 -8.895 4.168 1.00 0.00 C ATOM 918 CG LYS A 59 3.173 -8.363 5.125 1.00 0.00 C ATOM 919 CD LYS A 59 4.543 -8.276 4.434 1.00 0.00 C ATOM 920 CE LYS A 59 5.716 -8.375 5.415 1.00 0.00 C ATOM 921 NZ LYS A 59 6.962 -8.709 4.699 1.00 0.00 N ATOM 0 H LYS A 59 1.298 -6.575 3.986 1.00 0.00 H new ATOM 0 HA LYS A 59 3.074 -8.160 2.439 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.117 -8.821 4.649 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.272 -9.952 3.973 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.885 -7.377 5.489 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.244 -9.016 5.995 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.624 -9.076 3.698 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.610 -7.334 3.890 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.836 -7.430 5.944 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.506 -9.136 6.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 7.421 -9.520 5.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.741 -8.952 3.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.604 -7.891 4.719 1.00 0.00 H new ATOM 935 N GLN A 60 -0.045 -8.311 1.570 1.00 0.00 N ATOM 936 CA GLN A 60 -0.843 -8.783 0.458 1.00 0.00 C ATOM 937 C GLN A 60 -0.126 -8.430 -0.841 1.00 0.00 C ATOM 938 O GLN A 60 0.052 -9.288 -1.699 1.00 0.00 O ATOM 939 CB GLN A 60 -2.307 -8.325 0.563 1.00 0.00 C ATOM 940 CG GLN A 60 -2.665 -7.181 -0.383 1.00 0.00 C ATOM 941 CD GLN A 60 -4.129 -6.793 -0.271 1.00 0.00 C ATOM 942 OE1 GLN A 60 -4.517 -6.079 0.645 1.00 0.00 O ATOM 943 NE2 GLN A 60 -4.957 -7.238 -1.213 1.00 0.00 N ATOM 0 H GLN A 60 -0.496 -7.604 2.151 1.00 0.00 H new ATOM 0 HA GLN A 60 -0.931 -9.869 0.478 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -2.959 -9.173 0.355 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -2.507 -8.013 1.588 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.042 -6.315 -0.159 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.445 -7.475 -1.409 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.604 -7.831 -1.964 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -5.945 -6.986 -1.184 1.00 0.00 H new ATOM 952 N ILE A 61 0.335 -7.179 -0.964 1.00 0.00 N ATOM 953 CA ILE A 61 1.093 -6.753 -2.135 1.00 0.00 C ATOM 954 C ILE A 61 2.318 -7.652 -2.323 1.00 0.00 C ATOM 955 O ILE A 61 2.583 -8.090 -3.439 1.00 0.00 O ATOM 956 CB ILE A 61 1.430 -5.249 -2.139 1.00 0.00 C ATOM 957 CG1 ILE A 61 0.258 -4.358 -2.600 1.00 0.00 C ATOM 958 CG2 ILE A 61 2.622 -4.943 -3.073 1.00 0.00 C ATOM 959 CD1 ILE A 61 -0.475 -3.728 -1.420 1.00 0.00 C ATOM 0 H ILE A 61 0.194 -6.449 -0.265 1.00 0.00 H new ATOM 0 HA ILE A 61 0.451 -6.877 -3.007 1.00 0.00 H new ATOM 0 HB ILE A 61 1.668 -5.018 -1.101 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.635 -3.572 -3.255 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.442 -4.953 -3.186 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.834 -3.874 -3.053 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.500 -5.494 -2.735 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.374 -5.245 -4.091 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.293 -3.109 -1.788 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.875 -4.513 -0.779 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.218 -3.111 -0.848 1.00 0.00 H new ATOM 971 N GLU A 62 3.061 -7.929 -1.246 1.00 0.00 N ATOM 972 CA GLU A 62 4.233 -8.796 -1.329 1.00 0.00 C ATOM 973 C GLU A 62 3.801 -10.165 -1.873 1.00 0.00 C ATOM 974 O GLU A 62 4.363 -10.676 -2.840 1.00 0.00 O ATOM 975 CB GLU A 62 4.931 -8.888 0.037 1.00 0.00 C ATOM 976 CG GLU A 62 5.305 -7.480 0.527 1.00 0.00 C ATOM 977 CD GLU A 62 6.186 -7.449 1.764 1.00 0.00 C ATOM 978 OE1 GLU A 62 6.697 -8.513 2.172 1.00 0.00 O ATOM 979 OE2 GLU A 62 6.270 -6.358 2.365 1.00 0.00 O ATOM 0 H GLU A 62 2.870 -7.566 -0.312 1.00 0.00 H new ATOM 0 HA GLU A 62 4.967 -8.379 -2.018 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.274 -9.372 0.760 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.826 -9.505 -0.043 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.816 -6.954 -0.279 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.389 -6.928 0.737 1.00 0.00 H new ATOM 986 N ALA A 63 2.749 -10.720 -1.270 1.00 0.00 N ATOM 987 CA ALA A 63 2.167 -12.009 -1.609 1.00 0.00 C ATOM 988 C ALA A 63 1.668 -12.091 -3.055 1.00 0.00 C ATOM 989 O ALA A 63 1.649 -13.187 -3.611 1.00 0.00 O ATOM 990 CB ALA A 63 1.051 -12.330 -0.615 1.00 0.00 C ATOM 0 H ALA A 63 2.262 -10.260 -0.500 1.00 0.00 H new ATOM 0 HA ALA A 63 2.956 -12.758 -1.536 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.610 -13.295 -0.863 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.462 -12.367 0.394 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.285 -11.557 -0.666 1.00 0.00 H new ATOM 996 N MET A 64 1.286 -10.971 -3.690 1.00 0.00 N ATOM 997 CA MET A 64 0.989 -10.971 -5.121 1.00 0.00 C ATOM 998 C MET A 64 2.179 -11.528 -5.914 1.00 0.00 C ATOM 999 O MET A 64 1.980 -12.151 -6.956 1.00 0.00 O ATOM 1000 CB MET A 64 0.644 -9.565 -5.641 1.00 0.00 C ATOM 1001 CG MET A 64 -0.565 -8.902 -4.970 1.00 0.00 C ATOM 1002 SD MET A 64 -2.175 -9.716 -5.125 1.00 0.00 S ATOM 1003 CE MET A 64 -2.596 -9.266 -6.823 1.00 0.00 C ATOM 0 H MET A 64 1.178 -10.065 -3.235 1.00 0.00 H new ATOM 0 HA MET A 64 0.117 -11.608 -5.265 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.513 -8.921 -5.506 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.456 -9.627 -6.713 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.343 -8.800 -3.908 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.660 -7.894 -5.374 1.00 0.00 H new ATOM 0 HE1 MET A 64 -3.566 -9.690 -7.082 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.639 -8.180 -6.912 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.837 -9.655 -7.501 1.00 0.00 H new ATOM 1013 N GLY A 65 3.406 -11.292 -5.436 1.00 0.00 N ATOM 1014 CA GLY A 65 4.612 -11.857 -6.020 1.00 0.00 C ATOM 1015 C GLY A 65 5.805 -10.927 -5.826 1.00 0.00 C ATOM 1016 O GLY A 65 6.908 -11.379 -5.531 1.00 0.00 O ATOM 0 H GLY A 65 3.584 -10.698 -4.626 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.823 -12.824 -5.563 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.455 -12.035 -7.084 1.00 0.00 H new ATOM 1020 N PHE A 66 5.593 -9.625 -6.031 1.00 0.00 N ATOM 1021 CA PHE A 66 6.656 -8.631 -6.053 1.00 0.00 C ATOM 1022 C PHE A 66 7.136 -8.332 -4.628 1.00 0.00 C ATOM 1023 O PHE A 66 6.373 -7.731 -3.873 1.00 0.00 O ATOM 1024 CB PHE A 66 6.128 -7.361 -6.730 1.00 0.00 C ATOM 1025 CG PHE A 66 5.840 -7.534 -8.212 1.00 0.00 C ATOM 1026 CD1 PHE A 66 6.878 -7.900 -9.090 1.00 0.00 C ATOM 1027 CD2 PHE A 66 4.537 -7.360 -8.716 1.00 0.00 C ATOM 1028 CE1 PHE A 66 6.630 -8.039 -10.463 1.00 0.00 C ATOM 1029 CE2 PHE A 66 4.291 -7.485 -10.095 1.00 0.00 C ATOM 1030 CZ PHE A 66 5.339 -7.818 -10.971 1.00 0.00 C ATOM 0 H PHE A 66 4.665 -9.232 -6.188 1.00 0.00 H new ATOM 0 HA PHE A 66 7.508 -9.012 -6.616 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.215 -7.044 -6.226 1.00 0.00 H new ATOM 0 HB3 PHE A 66 6.857 -6.561 -6.601 1.00 0.00 H new ATOM 0 HD1 PHE A 66 7.871 -8.075 -8.704 1.00 0.00 H new ATOM 0 HD2 PHE A 66 3.725 -7.130 -8.042 1.00 0.00 H new ATOM 0 HE1 PHE A 66 7.432 -8.316 -11.131 1.00 0.00 H new ATOM 0 HE2 PHE A 66 3.295 -7.325 -10.482 1.00 0.00 H new ATOM 0 HZ PHE A 66 5.152 -7.904 -12.031 1.00 0.00 H new ATOM 1040 N PRO A 67 8.365 -8.716 -4.237 1.00 0.00 N ATOM 1041 CA PRO A 67 8.846 -8.507 -2.883 1.00 0.00 C ATOM 1042 C PRO A 67 9.024 -7.006 -2.639 1.00 0.00 C ATOM 1043 O PRO A 67 9.897 -6.372 -3.225 1.00 0.00 O ATOM 1044 CB PRO A 67 10.160 -9.286 -2.784 1.00 0.00 C ATOM 1045 CG PRO A 67 10.685 -9.273 -4.218 1.00 0.00 C ATOM 1046 CD PRO A 67 9.407 -9.313 -5.060 1.00 0.00 C ATOM 0 HA PRO A 67 8.153 -8.860 -2.120 1.00 0.00 H new ATOM 0 HB2 PRO A 67 10.859 -8.811 -2.096 1.00 0.00 H new ATOM 0 HB3 PRO A 67 9.999 -10.302 -2.424 1.00 0.00 H new ATOM 0 HG2 PRO A 67 11.274 -8.379 -4.423 1.00 0.00 H new ATOM 0 HG3 PRO A 67 11.327 -10.131 -4.419 1.00 0.00 H new ATOM 0 HD2 PRO A 67 9.535 -8.759 -5.990 1.00 0.00 H new ATOM 0 HD3 PRO A 67 9.151 -10.337 -5.332 1.00 0.00 H new ATOM 1054 N ALA A 68 8.162 -6.445 -1.793 1.00 0.00 N ATOM 1055 CA ALA A 68 8.072 -5.024 -1.510 1.00 0.00 C ATOM 1056 C ALA A 68 8.394 -4.793 -0.025 1.00 0.00 C ATOM 1057 O ALA A 68 8.926 -5.695 0.619 1.00 0.00 O ATOM 1058 CB ALA A 68 6.673 -4.589 -1.950 1.00 0.00 C ATOM 0 H ALA A 68 7.482 -6.995 -1.268 1.00 0.00 H new ATOM 0 HA ALA A 68 8.794 -4.413 -2.053 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.547 -3.523 -1.760 1.00 0.00 H new ATOM 0 HB2 ALA A 68 6.549 -4.785 -3.015 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.925 -5.148 -1.389 1.00 0.00 H new ATOM 1064 N PHE A 69 8.124 -3.602 0.527 1.00 0.00 N ATOM 1065 CA PHE A 69 8.500 -3.295 1.905 1.00 0.00 C ATOM 1066 C PHE A 69 7.761 -2.085 2.470 1.00 0.00 C ATOM 1067 O PHE A 69 7.658 -1.051 1.809 1.00 0.00 O ATOM 1068 CB PHE A 69 10.021 -3.093 2.012 1.00 0.00 C ATOM 1069 CG PHE A 69 10.644 -3.859 3.159 1.00 0.00 C ATOM 1070 CD1 PHE A 69 10.601 -3.346 4.468 1.00 0.00 C ATOM 1071 CD2 PHE A 69 11.196 -5.130 2.925 1.00 0.00 C ATOM 1072 CE1 PHE A 69 11.110 -4.102 5.538 1.00 0.00 C ATOM 1073 CE2 PHE A 69 11.733 -5.873 3.987 1.00 0.00 C ATOM 1074 CZ PHE A 69 11.683 -5.364 5.298 1.00 0.00 C ATOM 0 H PHE A 69 7.649 -2.842 0.040 1.00 0.00 H new ATOM 0 HA PHE A 69 8.203 -4.152 2.509 1.00 0.00 H new ATOM 0 HB2 PHE A 69 10.489 -3.405 1.078 1.00 0.00 H new ATOM 0 HB3 PHE A 69 10.232 -2.031 2.135 1.00 0.00 H new ATOM 0 HD1 PHE A 69 10.176 -2.370 4.651 1.00 0.00 H new ATOM 0 HD2 PHE A 69 11.207 -5.536 1.924 1.00 0.00 H new ATOM 0 HE1 PHE A 69 11.061 -3.714 6.545 1.00 0.00 H new ATOM 0 HE2 PHE A 69 12.185 -6.836 3.798 1.00 0.00 H new ATOM 0 HZ PHE A 69 12.084 -5.941 6.118 1.00 0.00 H new ATOM 1084 N VAL A 70 7.261 -2.209 3.705 1.00 0.00 N ATOM 1085 CA VAL A 70 6.626 -1.114 4.427 1.00 0.00 C ATOM 1086 C VAL A 70 7.677 -0.310 5.189 1.00 0.00 C ATOM 1087 O VAL A 70 8.594 -0.877 5.776 1.00 0.00 O ATOM 1088 CB VAL A 70 5.467 -1.604 5.299 1.00 0.00 C ATOM 1089 CG1 VAL A 70 5.989 -2.261 6.559 1.00 0.00 C ATOM 1090 CG2 VAL A 70 4.506 -0.473 5.653 1.00 0.00 C ATOM 0 H VAL A 70 7.289 -3.082 4.231 1.00 0.00 H new ATOM 0 HA VAL A 70 6.167 -0.433 3.710 1.00 0.00 H new ATOM 0 HB VAL A 70 4.913 -2.341 4.718 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.150 -2.603 7.166 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.615 -3.113 6.293 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.578 -1.541 7.127 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.698 -0.863 6.272 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.042 0.302 6.201 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.090 -0.049 4.739 1.00 0.00 H new