USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 426 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 45 THR OG1 : rot 180:sc= 0.963 USER MOD Set 1.2: A 54 THR OG1 : rot 115:sc= 0.499 USER MOD Single : A 2 THR OG1 : rot 37:sc= 0.32 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -3.48! C(o=-3.5!,f=-8.1!) USER MOD Single : A 11 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.245) USER MOD Single : A 12 THR OG1 : rot 39:sc= 0.571 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.241 K(o=-0.24,f=-1.3!) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0.0687 X(o=0.069,f=-0.22) USER MOD Single : A 38 ASN : amide:sc= -0.023 X(o=-0.023,f=0.1) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.0308 USER MOD Single : A 50 THR OG1 : rot 180:sc= -0.518 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 70:sc= 0.685 USER MOD Single : A 56 THR OG1 : rot -150:sc= -2.87 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -2.633 -12.350 6.168 1.00 0.00 N ATOM 21 CA THR A 2 -2.954 -11.353 5.103 1.00 0.00 C ATOM 22 C THR A 2 -2.060 -10.116 5.249 1.00 0.00 C ATOM 23 O THR A 2 -2.537 -9.005 5.383 1.00 0.00 O ATOM 24 CB THR A 2 -4.422 -10.988 5.334 1.00 0.00 C ATOM 25 OG1 THR A 2 -5.207 -12.173 5.348 1.00 0.00 O ATOM 26 CG2 THR A 2 -4.904 -10.068 4.211 1.00 0.00 C ATOM 0 HA THR A 2 -2.785 -11.748 4.101 1.00 0.00 H new ATOM 0 HB THR A 2 -4.522 -10.474 6.290 1.00 0.00 H new ATOM 0 HG1 THR A 2 -4.707 -12.892 5.788 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.950 -9.809 4.377 1.00 0.00 H new ATOM 0 HG22 THR A 2 -4.302 -9.159 4.201 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.804 -10.579 3.254 1.00 0.00 H new ATOM 34 N THR A 3 -0.765 -10.306 5.223 1.00 0.00 N ATOM 35 CA THR A 3 0.170 -9.150 5.357 1.00 0.00 C ATOM 36 C THR A 3 0.503 -8.574 3.978 1.00 0.00 C ATOM 37 O THR A 3 1.162 -9.208 3.176 1.00 0.00 O ATOM 38 CB THR A 3 1.426 -9.727 6.012 1.00 0.00 C ATOM 39 OG1 THR A 3 1.056 -10.475 7.162 1.00 0.00 O ATOM 40 CG2 THR A 3 2.364 -8.588 6.421 1.00 0.00 C ATOM 0 H THR A 3 -0.315 -11.215 5.114 1.00 0.00 H new ATOM 0 HA THR A 3 -0.261 -8.339 5.945 1.00 0.00 H new ATOM 0 HB THR A 3 1.939 -10.377 5.303 1.00 0.00 H new ATOM 0 HG1 THR A 3 1.859 -10.847 7.582 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.258 -9.002 6.887 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.648 -8.015 5.538 1.00 0.00 H new ATOM 0 HG23 THR A 3 1.855 -7.934 7.129 1.00 0.00 H new ATOM 48 N PHE A 4 0.052 -7.377 3.702 1.00 0.00 N ATOM 49 CA PHE A 4 0.339 -6.752 2.377 1.00 0.00 C ATOM 50 C PHE A 4 1.532 -5.802 2.489 1.00 0.00 C ATOM 51 O PHE A 4 1.771 -5.214 3.528 1.00 0.00 O ATOM 52 CB PHE A 4 -0.927 -5.975 2.019 1.00 0.00 C ATOM 53 CG PHE A 4 -1.995 -6.937 1.562 1.00 0.00 C ATOM 54 CD1 PHE A 4 -1.871 -7.587 0.328 1.00 0.00 C ATOM 55 CD2 PHE A 4 -3.109 -7.179 2.372 1.00 0.00 C ATOM 56 CE1 PHE A 4 -2.861 -8.481 -0.095 1.00 0.00 C ATOM 57 CE2 PHE A 4 -4.098 -8.074 1.949 1.00 0.00 C ATOM 58 CZ PHE A 4 -3.975 -8.725 0.717 1.00 0.00 C ATOM 0 H PHE A 4 -0.503 -6.805 4.338 1.00 0.00 H new ATOM 0 HA PHE A 4 0.590 -7.494 1.619 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.277 -5.411 2.883 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.713 -5.252 1.232 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.011 -7.398 -0.298 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.206 -6.676 3.323 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.766 -8.982 -1.047 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.958 -8.262 2.575 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.739 -9.416 0.392 1.00 0.00 H new ATOM 68 N LYS A 5 2.276 -5.648 1.426 1.00 0.00 N ATOM 69 CA LYS A 5 3.455 -4.733 1.459 1.00 0.00 C ATOM 70 C LYS A 5 3.210 -3.537 0.536 1.00 0.00 C ATOM 71 O LYS A 5 2.103 -3.313 0.085 1.00 0.00 O ATOM 72 CB LYS A 5 4.627 -5.576 0.949 1.00 0.00 C ATOM 73 CG LYS A 5 5.005 -6.630 2.000 1.00 0.00 C ATOM 74 CD LYS A 5 4.608 -8.023 1.506 1.00 0.00 C ATOM 75 CE LYS A 5 4.941 -9.060 2.582 1.00 0.00 C ATOM 76 NZ LYS A 5 4.752 -10.378 1.915 1.00 0.00 N ATOM 0 H LYS A 5 2.118 -6.117 0.534 1.00 0.00 H new ATOM 0 HA LYS A 5 3.647 -4.336 2.456 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.356 -6.064 0.013 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.483 -4.935 0.739 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.077 -6.595 2.194 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.503 -6.412 2.943 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.543 -8.050 1.278 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.138 -8.258 0.583 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.963 -8.942 2.942 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.285 -8.957 3.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.962 -11.142 2.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 3.768 -10.464 1.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.394 -10.450 1.100 1.00 0.00 H new ATOM 90 N LEU A 6 4.233 -2.769 0.252 1.00 0.00 N ATOM 91 CA LEU A 6 4.057 -1.586 -0.642 1.00 0.00 C ATOM 92 C LEU A 6 5.421 -1.043 -1.072 1.00 0.00 C ATOM 93 O LEU A 6 6.064 -0.312 -0.341 1.00 0.00 O ATOM 94 CB LEU A 6 3.298 -0.561 0.212 1.00 0.00 C ATOM 95 CG LEU A 6 3.092 0.743 -0.572 1.00 0.00 C ATOM 96 CD1 LEU A 6 1.889 0.596 -1.502 1.00 0.00 C ATOM 97 CD2 LEU A 6 2.837 1.887 0.411 1.00 0.00 C ATOM 0 H LEU A 6 5.181 -2.911 0.601 1.00 0.00 H new ATOM 0 HA LEU A 6 3.517 -1.827 -1.558 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.332 -0.970 0.509 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.854 -0.358 1.127 1.00 0.00 H new ATOM 0 HG LEU A 6 3.982 0.958 -1.163 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.744 1.522 -2.058 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.067 -0.222 -2.200 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.997 0.383 -0.912 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.690 2.815 -0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 6 1.945 1.670 0.999 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.694 1.993 1.077 1.00 0.00 H new ATOM 109 N ILE A 7 5.851 -1.370 -2.264 1.00 0.00 N ATOM 110 CA ILE A 7 7.154 -0.853 -2.758 1.00 0.00 C ATOM 111 C ILE A 7 6.926 0.547 -3.307 1.00 0.00 C ATOM 112 O ILE A 7 6.017 0.769 -4.089 1.00 0.00 O ATOM 113 CB ILE A 7 7.585 -1.815 -3.868 1.00 0.00 C ATOM 114 CG1 ILE A 7 7.780 -3.214 -3.277 1.00 0.00 C ATOM 115 CG2 ILE A 7 8.904 -1.335 -4.479 1.00 0.00 C ATOM 116 CD1 ILE A 7 7.561 -4.265 -4.368 1.00 0.00 C ATOM 0 H ILE A 7 5.351 -1.975 -2.915 1.00 0.00 H new ATOM 0 HA ILE A 7 7.919 -0.796 -1.984 1.00 0.00 H new ATOM 0 HB ILE A 7 6.817 -1.846 -4.641 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.784 -3.308 -2.863 1.00 0.00 H new ATOM 0 HG13 ILE A 7 7.080 -3.375 -2.457 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.210 -2.021 -5.269 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.770 -0.337 -4.896 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.673 -1.305 -3.707 1.00 0.00 H new ATOM 0 HD11 ILE A 7 7.700 -5.261 -3.947 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.548 -4.175 -4.762 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.278 -4.108 -5.173 1.00 0.00 H new ATOM 128 N ILE A 8 7.711 1.497 -2.888 1.00 0.00 N ATOM 129 CA ILE A 8 7.495 2.887 -3.377 1.00 0.00 C ATOM 130 C ILE A 8 8.486 3.214 -4.500 1.00 0.00 C ATOM 131 O ILE A 8 9.684 3.249 -4.284 1.00 0.00 O ATOM 132 CB ILE A 8 7.714 3.825 -2.178 1.00 0.00 C ATOM 133 CG1 ILE A 8 7.075 3.240 -0.898 1.00 0.00 C ATOM 134 CG2 ILE A 8 7.083 5.187 -2.491 1.00 0.00 C ATOM 135 CD1 ILE A 8 5.555 3.153 -1.045 1.00 0.00 C ATOM 0 H ILE A 8 8.485 1.375 -2.235 1.00 0.00 H new ATOM 0 HA ILE A 8 6.490 3.006 -3.781 1.00 0.00 H new ATOM 0 HB ILE A 8 8.785 3.936 -2.006 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.484 2.249 -0.702 1.00 0.00 H new ATOM 0 HG13 ILE A 8 7.328 3.865 -0.041 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.233 5.860 -1.647 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.552 5.610 -3.380 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.015 5.061 -2.669 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.124 2.739 -0.133 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.149 4.149 -1.218 1.00 0.00 H new ATOM 0 HD13 ILE A 8 5.307 2.509 -1.889 1.00 0.00 H new ATOM 147 N ASN A 9 8.000 3.455 -5.694 1.00 0.00 N ATOM 148 CA ASN A 9 8.928 3.781 -6.831 1.00 0.00 C ATOM 149 C ASN A 9 9.325 5.260 -6.749 1.00 0.00 C ATOM 150 O ASN A 9 9.225 5.879 -5.706 1.00 0.00 O ATOM 151 CB ASN A 9 8.171 3.520 -8.157 1.00 0.00 C ATOM 152 CG ASN A 9 7.204 2.331 -8.051 1.00 0.00 C ATOM 153 OD1 ASN A 9 7.562 1.281 -7.555 1.00 0.00 O ATOM 154 ND2 ASN A 9 5.986 2.461 -8.506 1.00 0.00 N ATOM 0 H ASN A 9 7.008 3.441 -5.933 1.00 0.00 H new ATOM 0 HA ASN A 9 9.827 3.166 -6.782 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.615 4.414 -8.437 1.00 0.00 H new ATOM 0 HB3 ASN A 9 8.891 3.330 -8.953 1.00 0.00 H new ATOM 0 HD21 ASN A 9 5.333 1.680 -8.445 1.00 0.00 H new ATOM 0 HD22 ASN A 9 5.688 3.344 -8.922 1.00 0.00 H new ATOM 161 N GLY A 10 9.766 5.832 -7.843 1.00 0.00 N ATOM 162 CA GLY A 10 10.162 7.273 -7.839 1.00 0.00 C ATOM 163 C GLY A 10 11.296 7.496 -6.837 1.00 0.00 C ATOM 164 O GLY A 10 12.294 6.799 -6.850 1.00 0.00 O ATOM 0 H GLY A 10 9.869 5.360 -8.741 1.00 0.00 H new ATOM 0 HA2 GLY A 10 10.481 7.575 -8.837 1.00 0.00 H new ATOM 0 HA3 GLY A 10 9.306 7.894 -7.577 1.00 0.00 H new ATOM 168 N LYS A 11 11.145 8.462 -5.969 1.00 0.00 N ATOM 169 CA LYS A 11 12.208 8.741 -4.956 1.00 0.00 C ATOM 170 C LYS A 11 11.581 9.267 -3.658 1.00 0.00 C ATOM 171 O LYS A 11 12.216 9.971 -2.895 1.00 0.00 O ATOM 172 CB LYS A 11 13.105 9.806 -5.598 1.00 0.00 C ATOM 173 CG LYS A 11 12.280 11.053 -5.935 1.00 0.00 C ATOM 174 CD LYS A 11 13.216 12.178 -6.384 1.00 0.00 C ATOM 175 CE LYS A 11 12.636 13.527 -5.957 1.00 0.00 C ATOM 176 NZ LYS A 11 11.387 13.678 -6.754 1.00 0.00 N ATOM 0 H LYS A 11 10.329 9.072 -5.917 1.00 0.00 H new ATOM 0 HA LYS A 11 12.771 7.846 -4.692 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.915 10.069 -4.918 1.00 0.00 H new ATOM 0 HB3 LYS A 11 13.565 9.409 -6.503 1.00 0.00 H new ATOM 0 HG2 LYS A 11 11.563 10.825 -6.724 1.00 0.00 H new ATOM 0 HG3 LYS A 11 11.706 11.369 -5.064 1.00 0.00 H new ATOM 0 HD2 LYS A 11 14.204 12.040 -5.945 1.00 0.00 H new ATOM 0 HD3 LYS A 11 13.341 12.151 -7.466 1.00 0.00 H new ATOM 0 HE2 LYS A 11 12.427 13.546 -4.887 1.00 0.00 H new ATOM 0 HE3 LYS A 11 13.334 14.339 -6.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.114 14.681 -6.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.549 13.333 -7.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.624 13.126 -6.312 1.00 0.00 H new ATOM 190 N THR A 12 10.340 8.928 -3.407 1.00 0.00 N ATOM 191 CA THR A 12 9.666 9.403 -2.163 1.00 0.00 C ATOM 192 C THR A 12 9.590 8.277 -1.142 1.00 0.00 C ATOM 193 O THR A 12 8.913 7.294 -1.347 1.00 0.00 O ATOM 194 CB THR A 12 8.265 9.824 -2.606 1.00 0.00 C ATOM 195 OG1 THR A 12 7.669 8.770 -3.351 1.00 0.00 O ATOM 196 CG2 THR A 12 8.360 11.078 -3.477 1.00 0.00 C ATOM 0 H THR A 12 9.765 8.342 -4.012 1.00 0.00 H new ATOM 0 HA THR A 12 10.205 10.223 -1.689 1.00 0.00 H new ATOM 0 HB THR A 12 7.654 10.039 -1.729 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.898 7.910 -2.942 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.361 11.378 -3.793 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.817 11.885 -2.904 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.970 10.866 -4.355 1.00 0.00 H new ATOM 204 N LEU A 13 10.286 8.420 -0.041 1.00 0.00 N ATOM 205 CA LEU A 13 10.290 7.377 1.040 1.00 0.00 C ATOM 206 C LEU A 13 10.986 6.069 0.573 1.00 0.00 C ATOM 207 O LEU A 13 11.872 5.582 1.247 1.00 0.00 O ATOM 208 CB LEU A 13 8.800 7.220 1.486 1.00 0.00 C ATOM 209 CG LEU A 13 8.153 5.904 1.031 1.00 0.00 C ATOM 210 CD1 LEU A 13 8.661 4.746 1.898 1.00 0.00 C ATOM 211 CD2 LEU A 13 6.631 6.013 1.171 1.00 0.00 C ATOM 0 H LEU A 13 10.866 9.234 0.161 1.00 0.00 H new ATOM 0 HA LEU A 13 10.887 7.669 1.904 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.747 7.283 2.573 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.222 8.055 1.089 1.00 0.00 H new ATOM 0 HG LEU A 13 8.416 5.715 -0.010 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.198 3.815 1.570 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.744 4.667 1.801 1.00 0.00 H new ATOM 0 HD13 LEU A 13 8.403 4.932 2.941 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.168 5.080 0.849 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.374 6.204 2.213 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.266 6.832 0.551 1.00 0.00 H new ATOM 223 N LYS A 14 10.619 5.506 -0.564 1.00 0.00 N ATOM 224 CA LYS A 14 11.282 4.247 -1.052 1.00 0.00 C ATOM 225 C LYS A 14 11.346 3.179 0.051 1.00 0.00 C ATOM 226 O LYS A 14 12.248 3.177 0.869 1.00 0.00 O ATOM 227 CB LYS A 14 12.691 4.677 -1.459 1.00 0.00 C ATOM 228 CG LYS A 14 12.687 5.113 -2.927 1.00 0.00 C ATOM 229 CD LYS A 14 12.751 3.877 -3.828 1.00 0.00 C ATOM 230 CE LYS A 14 14.210 3.450 -4.009 1.00 0.00 C ATOM 231 NZ LYS A 14 14.140 2.071 -4.567 1.00 0.00 N ATOM 0 H LYS A 14 9.886 5.867 -1.175 1.00 0.00 H new ATOM 0 HA LYS A 14 10.727 3.798 -1.876 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.030 5.497 -0.826 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.390 3.853 -1.315 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.787 5.688 -3.144 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.537 5.765 -3.126 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.175 3.063 -3.388 1.00 0.00 H new ATOM 0 HD3 LYS A 14 12.303 4.097 -4.797 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.738 4.123 -4.685 1.00 0.00 H new ATOM 0 HE3 LYS A 14 14.747 3.465 -3.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.103 1.709 -4.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.638 1.451 -3.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.630 2.089 -5.473 1.00 0.00 H new ATOM 245 N GLY A 15 10.402 2.269 0.074 1.00 0.00 N ATOM 246 CA GLY A 15 10.417 1.205 1.122 1.00 0.00 C ATOM 247 C GLY A 15 9.313 0.181 0.851 1.00 0.00 C ATOM 248 O GLY A 15 8.461 0.377 0.004 1.00 0.00 O ATOM 0 H GLY A 15 9.626 2.218 -0.586 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.388 0.709 1.134 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.275 1.652 2.106 1.00 0.00 H new ATOM 252 N GLU A 16 9.331 -0.912 1.570 1.00 0.00 N ATOM 253 CA GLU A 16 8.298 -1.970 1.380 1.00 0.00 C ATOM 254 C GLU A 16 7.707 -2.364 2.738 1.00 0.00 C ATOM 255 O GLU A 16 7.726 -3.518 3.124 1.00 0.00 O ATOM 256 CB GLU A 16 9.060 -3.140 0.763 1.00 0.00 C ATOM 257 CG GLU A 16 8.072 -4.218 0.310 1.00 0.00 C ATOM 258 CD GLU A 16 8.835 -5.498 -0.032 1.00 0.00 C ATOM 259 OE1 GLU A 16 9.660 -5.451 -0.929 1.00 0.00 O ATOM 260 OE2 GLU A 16 8.579 -6.505 0.608 1.00 0.00 O ATOM 0 H GLU A 16 10.026 -1.117 2.288 1.00 0.00 H new ATOM 0 HA GLU A 16 7.467 -1.647 0.752 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.651 -2.795 -0.086 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.758 -3.555 1.490 1.00 0.00 H new ATOM 0 HG2 GLU A 16 7.345 -4.415 1.098 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.513 -3.872 -0.559 1.00 0.00 H new ATOM 267 N ILE A 17 7.188 -1.407 3.466 1.00 0.00 N ATOM 268 CA ILE A 17 6.595 -1.713 4.806 1.00 0.00 C ATOM 269 C ILE A 17 5.450 -2.724 4.665 1.00 0.00 C ATOM 270 O ILE A 17 4.591 -2.585 3.814 1.00 0.00 O ATOM 271 CB ILE A 17 6.083 -0.365 5.338 1.00 0.00 C ATOM 272 CG1 ILE A 17 5.474 -0.560 6.732 1.00 0.00 C ATOM 273 CG2 ILE A 17 5.023 0.208 4.388 1.00 0.00 C ATOM 274 CD1 ILE A 17 6.593 -0.621 7.773 1.00 0.00 C ATOM 0 H ILE A 17 7.149 -0.426 3.191 1.00 0.00 H new ATOM 0 HA ILE A 17 7.320 -2.161 5.486 1.00 0.00 H new ATOM 0 HB ILE A 17 6.918 0.333 5.400 1.00 0.00 H new ATOM 0 HG12 ILE A 17 4.794 0.260 6.961 1.00 0.00 H new ATOM 0 HG13 ILE A 17 4.887 -1.478 6.759 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.667 1.163 4.774 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.461 0.356 3.401 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.187 -0.488 4.313 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.161 -0.760 8.764 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.256 -1.456 7.546 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.161 0.309 7.752 1.00 0.00 H new ATOM 286 N THR A 18 5.439 -3.737 5.492 1.00 0.00 N ATOM 287 CA THR A 18 4.356 -4.766 5.412 1.00 0.00 C ATOM 288 C THR A 18 3.284 -4.484 6.468 1.00 0.00 C ATOM 289 O THR A 18 3.589 -4.117 7.587 1.00 0.00 O ATOM 290 CB THR A 18 5.040 -6.111 5.697 1.00 0.00 C ATOM 291 OG1 THR A 18 5.517 -6.126 7.037 1.00 0.00 O ATOM 292 CG2 THR A 18 6.211 -6.332 4.728 1.00 0.00 C ATOM 0 H THR A 18 6.134 -3.898 6.221 1.00 0.00 H new ATOM 0 HA THR A 18 3.865 -4.762 4.439 1.00 0.00 H new ATOM 0 HB THR A 18 4.315 -6.913 5.557 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.952 -6.985 7.220 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.685 -7.290 4.943 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.840 -6.333 3.703 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.940 -5.531 4.849 1.00 0.00 H new ATOM 300 N ILE A 19 2.033 -4.660 6.122 1.00 0.00 N ATOM 301 CA ILE A 19 0.937 -4.409 7.109 1.00 0.00 C ATOM 302 C ILE A 19 -0.168 -5.461 6.962 1.00 0.00 C ATOM 303 O ILE A 19 -0.428 -5.953 5.881 1.00 0.00 O ATOM 304 CB ILE A 19 0.404 -3.005 6.787 1.00 0.00 C ATOM 305 CG1 ILE A 19 -0.148 -2.963 5.357 1.00 0.00 C ATOM 306 CG2 ILE A 19 1.536 -1.984 6.924 1.00 0.00 C ATOM 307 CD1 ILE A 19 -1.661 -3.201 5.385 1.00 0.00 C ATOM 0 H ILE A 19 1.723 -4.966 5.200 1.00 0.00 H new ATOM 0 HA ILE A 19 1.294 -4.473 8.137 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.397 -2.763 7.485 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.070 -1.998 4.900 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.339 -3.723 4.746 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.157 -0.988 6.695 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.920 -2.001 7.944 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.338 -2.235 6.230 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.053 -3.171 4.368 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.868 -4.177 5.825 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.140 -2.425 5.982 1.00 0.00 H new ATOM 319 N GLU A 20 -0.818 -5.803 8.045 1.00 0.00 N ATOM 320 CA GLU A 20 -1.912 -6.821 7.981 1.00 0.00 C ATOM 321 C GLU A 20 -3.260 -6.133 7.737 1.00 0.00 C ATOM 322 O GLU A 20 -3.448 -4.982 8.087 1.00 0.00 O ATOM 323 CB GLU A 20 -1.896 -7.520 9.348 1.00 0.00 C ATOM 324 CG GLU A 20 -2.152 -6.502 10.473 1.00 0.00 C ATOM 325 CD GLU A 20 -0.881 -6.316 11.308 1.00 0.00 C ATOM 326 OE1 GLU A 20 0.192 -6.336 10.731 1.00 0.00 O ATOM 327 OE2 GLU A 20 -1.006 -6.156 12.512 1.00 0.00 O ATOM 0 H GLU A 20 -0.638 -5.421 8.973 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.767 -7.531 7.166 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.657 -8.300 9.374 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.934 -8.009 9.503 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.461 -5.547 10.048 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.968 -6.847 11.108 1.00 0.00 H new ATOM 334 N ALA A 21 -4.196 -6.828 7.140 1.00 0.00 N ATOM 335 CA ALA A 21 -5.532 -6.216 6.871 1.00 0.00 C ATOM 336 C ALA A 21 -6.542 -7.289 6.459 1.00 0.00 C ATOM 337 O ALA A 21 -6.180 -8.395 6.106 1.00 0.00 O ATOM 338 CB ALA A 21 -5.292 -5.236 5.722 1.00 0.00 C ATOM 0 H ALA A 21 -4.092 -7.793 6.827 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.942 -5.723 7.752 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.229 -4.743 5.463 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.561 -4.488 6.028 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.915 -5.778 4.854 1.00 0.00 H new ATOM 344 N VAL A 22 -7.812 -6.964 6.503 1.00 0.00 N ATOM 345 CA VAL A 22 -8.870 -7.952 6.118 1.00 0.00 C ATOM 346 C VAL A 22 -8.600 -8.511 4.711 1.00 0.00 C ATOM 347 O VAL A 22 -8.784 -9.685 4.452 1.00 0.00 O ATOM 348 CB VAL A 22 -10.187 -7.160 6.151 1.00 0.00 C ATOM 349 CG1 VAL A 22 -10.122 -5.988 5.164 1.00 0.00 C ATOM 350 CG2 VAL A 22 -11.351 -8.080 5.771 1.00 0.00 C ATOM 0 H VAL A 22 -8.163 -6.051 6.791 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.897 -8.809 6.791 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.340 -6.772 7.158 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -11.060 -5.434 5.195 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.300 -5.327 5.438 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.960 -6.370 4.156 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -12.283 -7.516 5.795 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -11.191 -8.474 4.767 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.408 -8.906 6.480 1.00 0.00 H new ATOM 360 N ASP A 23 -8.159 -7.672 3.813 1.00 0.00 N ATOM 361 CA ASP A 23 -7.862 -8.127 2.422 1.00 0.00 C ATOM 362 C ASP A 23 -6.971 -7.091 1.737 1.00 0.00 C ATOM 363 O ASP A 23 -6.697 -6.043 2.292 1.00 0.00 O ATOM 364 CB ASP A 23 -9.224 -8.228 1.723 1.00 0.00 C ATOM 365 CG ASP A 23 -9.962 -6.880 1.766 1.00 0.00 C ATOM 366 OD1 ASP A 23 -9.375 -5.901 2.202 1.00 0.00 O ATOM 367 OD2 ASP A 23 -11.111 -6.851 1.357 1.00 0.00 O ATOM 0 H ASP A 23 -7.990 -6.681 3.984 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.337 -9.082 2.393 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.084 -8.538 0.687 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.830 -8.995 2.206 1.00 0.00 H new ATOM 372 N ALA A 24 -6.509 -7.370 0.542 1.00 0.00 N ATOM 373 CA ALA A 24 -5.628 -6.387 -0.160 1.00 0.00 C ATOM 374 C ALA A 24 -6.371 -5.061 -0.355 1.00 0.00 C ATOM 375 O ALA A 24 -5.773 -4.001 -0.369 1.00 0.00 O ATOM 376 CB ALA A 24 -5.288 -7.018 -1.510 1.00 0.00 C ATOM 0 H ALA A 24 -6.702 -8.229 0.027 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.726 -6.170 0.413 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.643 -6.345 -2.074 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.773 -7.965 -1.350 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.206 -7.195 -2.070 1.00 0.00 H new ATOM 382 N ALA A 25 -7.676 -5.112 -0.489 1.00 0.00 N ATOM 383 CA ALA A 25 -8.469 -3.858 -0.670 1.00 0.00 C ATOM 384 C ALA A 25 -8.208 -2.906 0.500 1.00 0.00 C ATOM 385 O ALA A 25 -7.893 -1.745 0.314 1.00 0.00 O ATOM 386 CB ALA A 25 -9.935 -4.299 -0.684 1.00 0.00 C ATOM 0 H ALA A 25 -8.225 -5.971 -0.480 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.201 -3.330 -1.585 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.576 -3.427 -0.814 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.098 -4.995 -1.507 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.176 -4.790 0.259 1.00 0.00 H new ATOM 392 N GLU A 26 -8.318 -3.406 1.703 1.00 0.00 N ATOM 393 CA GLU A 26 -8.057 -2.551 2.899 1.00 0.00 C ATOM 394 C GLU A 26 -6.581 -2.155 2.918 1.00 0.00 C ATOM 395 O GLU A 26 -6.236 -1.027 3.219 1.00 0.00 O ATOM 396 CB GLU A 26 -8.399 -3.427 4.105 1.00 0.00 C ATOM 397 CG GLU A 26 -8.243 -2.614 5.390 1.00 0.00 C ATOM 398 CD GLU A 26 -9.595 -2.015 5.783 1.00 0.00 C ATOM 399 OE1 GLU A 26 -10.025 -1.087 5.119 1.00 0.00 O ATOM 400 OE2 GLU A 26 -10.178 -2.496 6.740 1.00 0.00 O ATOM 0 H GLU A 26 -8.578 -4.371 1.909 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.645 -1.633 2.899 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.420 -3.798 4.019 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.744 -4.298 4.132 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.868 -3.250 6.192 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.510 -1.820 5.244 1.00 0.00 H new ATOM 407 N ALA A 27 -5.708 -3.074 2.579 1.00 0.00 N ATOM 408 CA ALA A 27 -4.243 -2.755 2.555 1.00 0.00 C ATOM 409 C ALA A 27 -3.990 -1.555 1.640 1.00 0.00 C ATOM 410 O ALA A 27 -3.272 -0.637 1.990 1.00 0.00 O ATOM 411 CB ALA A 27 -3.558 -4.002 1.991 1.00 0.00 C ATOM 0 H ALA A 27 -5.946 -4.031 2.318 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.864 -2.502 3.545 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.482 -3.837 1.946 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.768 -4.855 2.636 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.936 -4.203 0.989 1.00 0.00 H new ATOM 417 N GLU A 28 -4.593 -1.551 0.473 1.00 0.00 N ATOM 418 CA GLU A 28 -4.407 -0.402 -0.465 1.00 0.00 C ATOM 419 C GLU A 28 -4.857 0.889 0.220 1.00 0.00 C ATOM 420 O GLU A 28 -4.242 1.922 0.068 1.00 0.00 O ATOM 421 CB GLU A 28 -5.287 -0.709 -1.679 1.00 0.00 C ATOM 422 CG GLU A 28 -4.801 0.107 -2.882 1.00 0.00 C ATOM 423 CD GLU A 28 -5.944 0.266 -3.886 1.00 0.00 C ATOM 424 OE1 GLU A 28 -7.013 0.689 -3.475 1.00 0.00 O ATOM 425 OE2 GLU A 28 -5.733 -0.038 -5.048 1.00 0.00 O ATOM 0 H GLU A 28 -5.204 -2.293 0.132 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.366 -0.271 -0.761 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.249 -1.774 -1.909 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.327 -0.467 -1.458 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.452 1.086 -2.554 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.954 -0.391 -3.355 1.00 0.00 H new ATOM 432 N LYS A 29 -5.914 0.827 0.997 1.00 0.00 N ATOM 433 CA LYS A 29 -6.387 2.049 1.717 1.00 0.00 C ATOM 434 C LYS A 29 -5.363 2.422 2.792 1.00 0.00 C ATOM 435 O LYS A 29 -4.903 3.549 2.867 1.00 0.00 O ATOM 436 CB LYS A 29 -7.721 1.655 2.358 1.00 0.00 C ATOM 437 CG LYS A 29 -8.716 1.252 1.267 1.00 0.00 C ATOM 438 CD LYS A 29 -10.125 1.702 1.664 1.00 0.00 C ATOM 439 CE LYS A 29 -10.242 3.222 1.507 1.00 0.00 C ATOM 440 NZ LYS A 29 -11.573 3.443 0.874 1.00 0.00 N ATOM 0 H LYS A 29 -6.466 -0.015 1.162 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.505 2.908 1.056 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.572 0.828 3.052 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.118 2.489 2.937 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.433 1.705 0.317 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.695 0.172 1.123 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.866 1.204 1.040 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.332 1.416 2.695 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.175 3.725 2.472 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.439 3.618 0.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.726 4.462 0.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.605 2.959 -0.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.318 3.063 1.491 1.00 0.00 H new ATOM 454 N ILE A 30 -4.982 1.467 3.609 1.00 0.00 N ATOM 455 CA ILE A 30 -3.964 1.740 4.673 1.00 0.00 C ATOM 456 C ILE A 30 -2.678 2.245 4.013 1.00 0.00 C ATOM 457 O ILE A 30 -2.031 3.155 4.497 1.00 0.00 O ATOM 458 CB ILE A 30 -3.727 0.390 5.367 1.00 0.00 C ATOM 459 CG1 ILE A 30 -5.023 -0.077 6.037 1.00 0.00 C ATOM 460 CG2 ILE A 30 -2.634 0.536 6.432 1.00 0.00 C ATOM 461 CD1 ILE A 30 -4.838 -1.501 6.567 1.00 0.00 C ATOM 0 H ILE A 30 -5.333 0.510 3.584 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.289 2.497 5.387 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.413 -0.342 4.623 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.286 0.595 6.854 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.846 -0.047 5.323 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.471 -0.425 6.920 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.708 0.865 5.960 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.945 1.272 7.174 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.760 -1.834 7.044 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.596 -2.168 5.740 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.027 -1.516 7.295 1.00 0.00 H new ATOM 473 N PHE A 31 -2.327 1.665 2.896 1.00 0.00 N ATOM 474 CA PHE A 31 -1.103 2.107 2.170 1.00 0.00 C ATOM 475 C PHE A 31 -1.376 3.456 1.506 1.00 0.00 C ATOM 476 O PHE A 31 -0.516 4.314 1.440 1.00 0.00 O ATOM 477 CB PHE A 31 -0.850 1.025 1.114 1.00 0.00 C ATOM 478 CG PHE A 31 -0.052 -0.100 1.723 1.00 0.00 C ATOM 479 CD1 PHE A 31 1.161 0.170 2.367 1.00 0.00 C ATOM 480 CD2 PHE A 31 -0.524 -1.416 1.641 1.00 0.00 C ATOM 481 CE1 PHE A 31 1.902 -0.875 2.931 1.00 0.00 C ATOM 482 CE2 PHE A 31 0.217 -2.461 2.204 1.00 0.00 C ATOM 483 CZ PHE A 31 1.431 -2.191 2.849 1.00 0.00 C ATOM 0 H PHE A 31 -2.838 0.901 2.454 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.242 2.230 2.826 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.798 0.646 0.732 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.312 1.449 0.266 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.525 1.185 2.429 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.460 -1.624 1.143 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.837 -0.666 3.429 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.147 -3.476 2.141 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.003 -2.998 3.283 1.00 0.00 H new ATOM 493 N LYS A 32 -2.577 3.646 1.015 1.00 0.00 N ATOM 494 CA LYS A 32 -2.933 4.933 0.354 1.00 0.00 C ATOM 495 C LYS A 32 -3.157 6.051 1.383 1.00 0.00 C ATOM 496 O LYS A 32 -3.399 7.187 1.019 1.00 0.00 O ATOM 497 CB LYS A 32 -4.213 4.657 -0.427 1.00 0.00 C ATOM 498 CG LYS A 32 -3.861 3.949 -1.737 1.00 0.00 C ATOM 499 CD LYS A 32 -5.143 3.471 -2.423 1.00 0.00 C ATOM 500 CE LYS A 32 -5.986 4.681 -2.836 1.00 0.00 C ATOM 501 NZ LYS A 32 -6.690 4.255 -4.077 1.00 0.00 N ATOM 0 H LYS A 32 -3.329 2.957 1.046 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.127 5.275 -0.295 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.888 4.038 0.165 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.736 5.591 -0.634 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.316 4.627 -2.394 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.205 3.101 -1.539 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.897 2.871 -3.299 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -5.712 2.832 -1.748 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.695 4.954 -2.054 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.360 5.555 -3.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.289 5.033 -4.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -5.990 4.008 -4.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.284 3.426 -3.872 1.00 0.00 H new ATOM 515 N GLN A 33 -3.028 5.759 2.656 1.00 0.00 N ATOM 516 CA GLN A 33 -3.177 6.828 3.692 1.00 0.00 C ATOM 517 C GLN A 33 -1.766 7.106 4.175 1.00 0.00 C ATOM 518 O GLN A 33 -1.304 8.227 4.253 1.00 0.00 O ATOM 519 CB GLN A 33 -4.040 6.215 4.800 1.00 0.00 C ATOM 520 CG GLN A 33 -4.271 7.248 5.914 1.00 0.00 C ATOM 521 CD GLN A 33 -3.888 6.645 7.269 1.00 0.00 C ATOM 522 OE1 GLN A 33 -3.945 5.445 7.451 1.00 0.00 O ATOM 523 NE2 GLN A 33 -3.497 7.432 8.233 1.00 0.00 N ATOM 0 H GLN A 33 -2.826 4.828 3.021 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.640 7.752 3.346 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.996 5.889 4.390 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.550 5.331 5.208 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.677 8.142 5.723 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.316 7.556 5.925 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.449 8.439 8.081 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.239 7.040 9.139 1.00 0.00 H new ATOM 532 N TYR A 34 -1.067 6.036 4.419 1.00 0.00 N ATOM 533 CA TYR A 34 0.363 6.086 4.820 1.00 0.00 C ATOM 534 C TYR A 34 1.140 6.936 3.791 1.00 0.00 C ATOM 535 O TYR A 34 1.993 7.732 4.134 1.00 0.00 O ATOM 536 CB TYR A 34 0.735 4.590 4.748 1.00 0.00 C ATOM 537 CG TYR A 34 2.224 4.374 4.557 1.00 0.00 C ATOM 538 CD1 TYR A 34 2.793 4.491 3.283 1.00 0.00 C ATOM 539 CD2 TYR A 34 3.030 4.053 5.656 1.00 0.00 C ATOM 540 CE1 TYR A 34 4.166 4.287 3.108 1.00 0.00 C ATOM 541 CE2 TYR A 34 4.404 3.850 5.481 1.00 0.00 C ATOM 542 CZ TYR A 34 4.972 3.967 4.207 1.00 0.00 C ATOM 543 OH TYR A 34 6.326 3.764 4.035 1.00 0.00 O ATOM 0 H TYR A 34 -1.445 5.091 4.354 1.00 0.00 H new ATOM 0 HA TYR A 34 0.578 6.533 5.791 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.413 4.094 5.663 1.00 0.00 H new ATOM 0 HB3 TYR A 34 0.194 4.123 3.925 1.00 0.00 H new ATOM 0 HD1 TYR A 34 2.172 4.739 2.435 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.592 3.962 6.639 1.00 0.00 H new ATOM 0 HE1 TYR A 34 4.604 4.376 2.125 1.00 0.00 H new ATOM 0 HE2 TYR A 34 5.026 3.603 6.329 1.00 0.00 H new ATOM 0 HH TYR A 34 6.737 3.552 4.899 1.00 0.00 H new ATOM 553 N ALA A 35 0.821 6.765 2.532 1.00 0.00 N ATOM 554 CA ALA A 35 1.497 7.551 1.452 1.00 0.00 C ATOM 555 C ALA A 35 1.226 9.045 1.646 1.00 0.00 C ATOM 556 O ALA A 35 2.126 9.862 1.589 1.00 0.00 O ATOM 557 CB ALA A 35 0.862 7.068 0.145 1.00 0.00 C ATOM 0 H ALA A 35 0.114 6.108 2.203 1.00 0.00 H new ATOM 0 HA ALA A 35 2.578 7.411 1.458 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.308 7.601 -0.695 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.036 5.998 0.030 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.211 7.261 0.169 1.00 0.00 H new ATOM 563 N ASN A 36 -0.013 9.404 1.874 1.00 0.00 N ATOM 564 CA ASN A 36 -0.360 10.848 2.072 1.00 0.00 C ATOM 565 C ASN A 36 0.413 11.425 3.259 1.00 0.00 C ATOM 566 O ASN A 36 0.999 12.488 3.170 1.00 0.00 O ATOM 567 CB ASN A 36 -1.859 10.867 2.361 1.00 0.00 C ATOM 568 CG ASN A 36 -2.634 10.828 1.043 1.00 0.00 C ATOM 569 OD1 ASN A 36 -3.122 11.842 0.581 1.00 0.00 O ATOM 570 ND2 ASN A 36 -2.769 9.694 0.411 1.00 0.00 N ATOM 0 H ASN A 36 -0.801 8.759 1.932 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.104 11.449 1.200 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.131 10.013 2.981 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.120 11.764 2.922 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.283 9.659 -0.469 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -2.360 8.843 0.797 1.00 0.00 H new ATOM 577 N ASP A 37 0.419 10.730 4.369 1.00 0.00 N ATOM 578 CA ASP A 37 1.157 11.231 5.575 1.00 0.00 C ATOM 579 C ASP A 37 2.618 11.534 5.232 1.00 0.00 C ATOM 580 O ASP A 37 3.264 12.341 5.873 1.00 0.00 O ATOM 581 CB ASP A 37 1.071 10.098 6.601 1.00 0.00 C ATOM 582 CG ASP A 37 1.256 10.666 8.008 1.00 0.00 C ATOM 583 OD1 ASP A 37 2.243 11.349 8.225 1.00 0.00 O ATOM 584 OD2 ASP A 37 0.408 10.409 8.846 1.00 0.00 O ATOM 0 H ASP A 37 -0.055 9.836 4.495 1.00 0.00 H new ATOM 0 HA ASP A 37 0.727 12.158 5.954 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.106 9.597 6.524 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.836 9.349 6.396 1.00 0.00 H new ATOM 589 N ASN A 38 3.132 10.890 4.222 1.00 0.00 N ATOM 590 CA ASN A 38 4.539 11.121 3.812 1.00 0.00 C ATOM 591 C ASN A 38 4.598 12.040 2.586 1.00 0.00 C ATOM 592 O ASN A 38 5.588 12.705 2.348 1.00 0.00 O ATOM 593 CB ASN A 38 5.084 9.732 3.474 1.00 0.00 C ATOM 594 CG ASN A 38 5.508 9.022 4.761 1.00 0.00 C ATOM 595 OD1 ASN A 38 4.941 8.011 5.125 1.00 0.00 O ATOM 596 ND2 ASN A 38 6.489 9.511 5.469 1.00 0.00 N ATOM 0 H ASN A 38 2.628 10.205 3.658 1.00 0.00 H new ATOM 0 HA ASN A 38 5.121 11.609 4.594 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.323 9.147 2.957 1.00 0.00 H new ATOM 0 HB3 ASN A 38 5.934 9.818 2.797 1.00 0.00 H new ATOM 0 HD21 ASN A 38 6.780 9.044 6.328 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.965 10.360 5.163 1.00 0.00 H new ATOM 603 N GLY A 39 3.544 12.079 1.805 1.00 0.00 N ATOM 604 CA GLY A 39 3.534 12.948 0.590 1.00 0.00 C ATOM 605 C GLY A 39 3.718 12.078 -0.654 1.00 0.00 C ATOM 606 O GLY A 39 4.370 12.463 -1.605 1.00 0.00 O ATOM 0 H GLY A 39 2.689 11.544 1.959 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.594 13.496 0.529 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.332 13.688 0.652 1.00 0.00 H new ATOM 610 N ILE A 40 3.152 10.899 -0.643 1.00 0.00 N ATOM 611 CA ILE A 40 3.286 9.975 -1.805 1.00 0.00 C ATOM 612 C ILE A 40 2.044 10.094 -2.700 1.00 0.00 C ATOM 613 O ILE A 40 0.938 9.794 -2.291 1.00 0.00 O ATOM 614 CB ILE A 40 3.436 8.590 -1.138 1.00 0.00 C ATOM 615 CG1 ILE A 40 4.911 8.342 -0.838 1.00 0.00 C ATOM 616 CG2 ILE A 40 2.917 7.445 -2.010 1.00 0.00 C ATOM 617 CD1 ILE A 40 5.371 9.338 0.216 1.00 0.00 C ATOM 0 H ILE A 40 2.597 10.534 0.131 1.00 0.00 H new ATOM 0 HA ILE A 40 4.128 10.184 -2.465 1.00 0.00 H new ATOM 0 HB ILE A 40 2.836 8.606 -0.228 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.058 7.322 -0.483 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.504 8.452 -1.746 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.051 6.499 -1.486 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.858 7.598 -2.219 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.472 7.421 -2.948 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.425 9.171 0.439 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.236 10.353 -0.159 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.782 9.205 1.124 1.00 0.00 H new ATOM 629 N ASP A 41 2.235 10.532 -3.912 1.00 0.00 N ATOM 630 CA ASP A 41 1.081 10.683 -4.853 1.00 0.00 C ATOM 631 C ASP A 41 1.561 10.675 -6.310 1.00 0.00 C ATOM 632 O ASP A 41 2.061 11.663 -6.811 1.00 0.00 O ATOM 633 CB ASP A 41 0.462 12.037 -4.504 1.00 0.00 C ATOM 634 CG ASP A 41 -0.978 12.088 -5.016 1.00 0.00 C ATOM 635 OD1 ASP A 41 -1.778 11.288 -4.558 1.00 0.00 O ATOM 636 OD2 ASP A 41 -1.257 12.925 -5.857 1.00 0.00 O ATOM 0 H ASP A 41 3.143 10.794 -4.297 1.00 0.00 H new ATOM 0 HA ASP A 41 0.368 9.865 -4.756 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.481 12.190 -3.425 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.046 12.842 -4.950 1.00 0.00 H new ATOM 641 N GLY A 42 1.406 9.565 -6.990 1.00 0.00 N ATOM 642 CA GLY A 42 1.848 9.482 -8.415 1.00 0.00 C ATOM 643 C GLY A 42 1.255 8.230 -9.075 1.00 0.00 C ATOM 644 O GLY A 42 0.462 8.323 -9.994 1.00 0.00 O ATOM 0 H GLY A 42 0.991 8.711 -6.617 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.530 10.374 -8.956 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.936 9.449 -8.466 1.00 0.00 H new ATOM 648 N GLU A 43 1.641 7.064 -8.620 1.00 0.00 N ATOM 649 CA GLU A 43 1.110 5.798 -9.224 1.00 0.00 C ATOM 650 C GLU A 43 0.583 4.852 -8.139 1.00 0.00 C ATOM 651 O GLU A 43 0.809 5.060 -6.967 1.00 0.00 O ATOM 652 CB GLU A 43 2.310 5.162 -9.931 1.00 0.00 C ATOM 653 CG GLU A 43 2.812 6.098 -11.032 1.00 0.00 C ATOM 654 CD GLU A 43 1.774 6.171 -12.153 1.00 0.00 C ATOM 655 OE1 GLU A 43 1.358 5.122 -12.617 1.00 0.00 O ATOM 656 OE2 GLU A 43 1.415 7.274 -12.529 1.00 0.00 O ATOM 0 H GLU A 43 2.302 6.932 -7.855 1.00 0.00 H new ATOM 0 HA GLU A 43 0.280 5.995 -9.902 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.107 4.968 -9.213 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.025 4.201 -10.359 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.993 7.093 -10.624 1.00 0.00 H new ATOM 0 HG3 GLU A 43 3.762 5.737 -11.425 1.00 0.00 H new ATOM 663 N TRP A 44 -0.108 3.810 -8.540 1.00 0.00 N ATOM 664 CA TRP A 44 -0.658 2.813 -7.563 1.00 0.00 C ATOM 665 C TRP A 44 -1.028 1.526 -8.298 1.00 0.00 C ATOM 666 O TRP A 44 -1.876 1.527 -9.171 1.00 0.00 O ATOM 667 CB TRP A 44 -1.931 3.442 -6.987 1.00 0.00 C ATOM 668 CG TRP A 44 -1.601 4.240 -5.780 1.00 0.00 C ATOM 669 CD1 TRP A 44 -1.529 5.589 -5.709 1.00 0.00 C ATOM 670 CD2 TRP A 44 -1.311 3.740 -4.461 1.00 0.00 C ATOM 671 NE1 TRP A 44 -1.185 5.943 -4.417 1.00 0.00 N ATOM 672 CE2 TRP A 44 -1.041 4.831 -3.609 1.00 0.00 C ATOM 673 CE3 TRP A 44 -1.251 2.445 -3.935 1.00 0.00 C ATOM 674 CZ2 TRP A 44 -0.715 4.642 -2.268 1.00 0.00 C ATOM 675 CZ3 TRP A 44 -0.926 2.246 -2.585 1.00 0.00 C ATOM 676 CH2 TRP A 44 -0.656 3.345 -1.754 1.00 0.00 C ATOM 0 H TRP A 44 -0.317 3.605 -9.517 1.00 0.00 H new ATOM 0 HA TRP A 44 0.068 2.574 -6.786 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.403 4.078 -7.736 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.649 2.662 -6.733 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.710 6.274 -6.524 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -1.054 6.904 -4.100 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.456 1.596 -4.570 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.510 5.490 -1.632 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.883 1.244 -2.184 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.402 3.187 -0.716 1.00 0.00 H new ATOM 687 N THR A 45 -0.408 0.430 -7.949 1.00 0.00 N ATOM 688 CA THR A 45 -0.738 -0.864 -8.627 1.00 0.00 C ATOM 689 C THR A 45 -0.650 -1.997 -7.621 1.00 0.00 C ATOM 690 O THR A 45 0.308 -2.101 -6.882 1.00 0.00 O ATOM 691 CB THR A 45 0.312 -1.068 -9.734 1.00 0.00 C ATOM 692 OG1 THR A 45 1.543 -1.488 -9.160 1.00 0.00 O ATOM 693 CG2 THR A 45 0.529 0.233 -10.508 1.00 0.00 C ATOM 0 H THR A 45 0.310 0.372 -7.227 1.00 0.00 H new ATOM 0 HA THR A 45 -1.745 -0.848 -9.043 1.00 0.00 H new ATOM 0 HB THR A 45 -0.050 -1.833 -10.420 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.207 -1.618 -9.869 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.274 0.073 -11.287 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.410 0.547 -10.963 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.878 1.008 -9.826 1.00 0.00 H new ATOM 701 N TYR A 46 -1.634 -2.848 -7.592 1.00 0.00 N ATOM 702 CA TYR A 46 -1.611 -3.988 -6.632 1.00 0.00 C ATOM 703 C TYR A 46 -1.009 -5.227 -7.307 1.00 0.00 C ATOM 704 O TYR A 46 -1.215 -5.471 -8.481 1.00 0.00 O ATOM 705 CB TYR A 46 -3.079 -4.218 -6.242 1.00 0.00 C ATOM 706 CG TYR A 46 -3.208 -5.505 -5.450 1.00 0.00 C ATOM 707 CD1 TYR A 46 -2.424 -5.702 -4.309 1.00 0.00 C ATOM 708 CD2 TYR A 46 -4.094 -6.504 -5.871 1.00 0.00 C ATOM 709 CE1 TYR A 46 -2.528 -6.894 -3.585 1.00 0.00 C ATOM 710 CE2 TYR A 46 -4.196 -7.698 -5.148 1.00 0.00 C ATOM 711 CZ TYR A 46 -3.414 -7.893 -4.003 1.00 0.00 C ATOM 712 OH TYR A 46 -3.514 -9.071 -3.292 1.00 0.00 O ATOM 0 H TYR A 46 -2.457 -2.805 -8.193 1.00 0.00 H new ATOM 0 HA TYR A 46 -0.999 -3.784 -5.754 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.443 -3.378 -5.650 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.698 -4.268 -7.137 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.738 -4.933 -3.987 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.698 -6.353 -6.753 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.924 -7.044 -2.702 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.878 -8.469 -5.473 1.00 0.00 H new ATOM 0 HH TYR A 46 -4.176 -9.655 -3.718 1.00 0.00 H new ATOM 722 N ASP A 47 -0.280 -6.011 -6.557 1.00 0.00 N ATOM 723 CA ASP A 47 0.330 -7.245 -7.124 1.00 0.00 C ATOM 724 C ASP A 47 -0.301 -8.474 -6.467 1.00 0.00 C ATOM 725 O ASP A 47 0.081 -8.874 -5.384 1.00 0.00 O ATOM 726 CB ASP A 47 1.817 -7.153 -6.783 1.00 0.00 C ATOM 727 CG ASP A 47 2.621 -8.002 -7.768 1.00 0.00 C ATOM 728 OD1 ASP A 47 2.164 -9.084 -8.098 1.00 0.00 O ATOM 729 OD2 ASP A 47 3.680 -7.556 -8.179 1.00 0.00 O ATOM 0 H ASP A 47 -0.081 -5.847 -5.570 1.00 0.00 H new ATOM 0 HA ASP A 47 0.173 -7.334 -8.199 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.147 -6.115 -6.827 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.989 -7.499 -5.764 1.00 0.00 H new ATOM 734 N ASP A 48 -1.267 -9.072 -7.120 1.00 0.00 N ATOM 735 CA ASP A 48 -1.938 -10.280 -6.543 1.00 0.00 C ATOM 736 C ASP A 48 -0.997 -11.497 -6.539 1.00 0.00 C ATOM 737 O ASP A 48 -1.329 -12.537 -6.004 1.00 0.00 O ATOM 738 CB ASP A 48 -3.151 -10.538 -7.447 1.00 0.00 C ATOM 739 CG ASP A 48 -2.688 -10.769 -8.889 1.00 0.00 C ATOM 740 OD1 ASP A 48 -2.138 -9.848 -9.469 1.00 0.00 O ATOM 741 OD2 ASP A 48 -2.892 -11.865 -9.388 1.00 0.00 O ATOM 0 H ASP A 48 -1.621 -8.776 -8.030 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.226 -10.117 -5.504 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.703 -11.407 -7.090 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.833 -9.688 -7.407 1.00 0.00 H new ATOM 746 N ALA A 49 0.172 -11.374 -7.120 1.00 0.00 N ATOM 747 CA ALA A 49 1.133 -12.514 -7.142 1.00 0.00 C ATOM 748 C ALA A 49 2.079 -12.413 -5.944 1.00 0.00 C ATOM 749 O ALA A 49 2.585 -13.405 -5.457 1.00 0.00 O ATOM 750 CB ALA A 49 1.903 -12.359 -8.452 1.00 0.00 C ATOM 0 H ALA A 49 0.501 -10.526 -7.582 1.00 0.00 H new ATOM 0 HA ALA A 49 0.636 -13.482 -7.080 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.633 -13.164 -8.543 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.208 -12.404 -9.290 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.419 -11.399 -8.459 1.00 0.00 H new ATOM 756 N THR A 50 2.306 -11.217 -5.456 1.00 0.00 N ATOM 757 CA THR A 50 3.201 -11.041 -4.279 1.00 0.00 C ATOM 758 C THR A 50 2.458 -10.304 -3.159 1.00 0.00 C ATOM 759 O THR A 50 3.040 -9.952 -2.151 1.00 0.00 O ATOM 760 CB THR A 50 4.369 -10.197 -4.792 1.00 0.00 C ATOM 761 OG1 THR A 50 3.872 -8.971 -5.312 1.00 0.00 O ATOM 762 CG2 THR A 50 5.105 -10.960 -5.892 1.00 0.00 C ATOM 0 H THR A 50 1.906 -10.355 -5.827 1.00 0.00 H new ATOM 0 HA THR A 50 3.536 -11.993 -3.868 1.00 0.00 H new ATOM 0 HB THR A 50 5.058 -9.991 -3.973 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.619 -8.428 -5.640 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.937 -10.359 -6.258 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.485 -11.900 -5.491 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.419 -11.167 -6.713 1.00 0.00 H new ATOM 770 N LYS A 51 1.171 -10.058 -3.326 1.00 0.00 N ATOM 771 CA LYS A 51 0.388 -9.335 -2.271 1.00 0.00 C ATOM 772 C LYS A 51 1.066 -8.006 -1.932 1.00 0.00 C ATOM 773 O LYS A 51 1.142 -7.612 -0.783 1.00 0.00 O ATOM 774 CB LYS A 51 0.375 -10.262 -1.050 1.00 0.00 C ATOM 775 CG LYS A 51 -0.303 -11.586 -1.416 1.00 0.00 C ATOM 776 CD LYS A 51 -1.820 -11.433 -1.290 1.00 0.00 C ATOM 777 CE LYS A 51 -2.466 -12.814 -1.147 1.00 0.00 C ATOM 778 NZ LYS A 51 -3.684 -12.759 -2.004 1.00 0.00 N ATOM 0 H LYS A 51 0.634 -10.329 -4.150 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.624 -9.104 -2.604 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.394 -10.446 -0.710 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.156 -9.786 -0.225 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.039 -11.873 -2.434 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.049 -12.381 -0.759 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.063 -10.816 -0.425 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.218 -10.923 -2.167 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.788 -13.603 -1.474 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.723 -13.024 -0.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.182 -13.671 -1.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.313 -12.004 -1.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -3.408 -12.564 -2.988 1.00 0.00 H new ATOM 792 N THR A 52 1.571 -7.321 -2.927 1.00 0.00 N ATOM 793 CA THR A 52 2.258 -6.018 -2.666 1.00 0.00 C ATOM 794 C THR A 52 1.803 -4.954 -3.670 1.00 0.00 C ATOM 795 O THR A 52 1.636 -5.228 -4.843 1.00 0.00 O ATOM 796 CB THR A 52 3.747 -6.318 -2.842 1.00 0.00 C ATOM 797 OG1 THR A 52 4.107 -7.419 -2.019 1.00 0.00 O ATOM 798 CG2 THR A 52 4.567 -5.091 -2.444 1.00 0.00 C ATOM 0 H THR A 52 1.538 -7.606 -3.906 1.00 0.00 H new ATOM 0 HA THR A 52 2.030 -5.627 -1.675 1.00 0.00 H new ATOM 0 HB THR A 52 3.948 -6.563 -3.885 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.699 -8.238 -2.371 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.628 -5.306 -2.570 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.290 -4.248 -3.077 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.368 -4.843 -1.401 1.00 0.00 H new ATOM 806 N PHE A 53 1.614 -3.738 -3.216 1.00 0.00 N ATOM 807 CA PHE A 53 1.184 -2.648 -4.143 1.00 0.00 C ATOM 808 C PHE A 53 2.423 -1.902 -4.659 1.00 0.00 C ATOM 809 O PHE A 53 3.538 -2.329 -4.427 1.00 0.00 O ATOM 810 CB PHE A 53 0.300 -1.728 -3.297 1.00 0.00 C ATOM 811 CG PHE A 53 -0.981 -2.445 -2.928 1.00 0.00 C ATOM 812 CD1 PHE A 53 -0.966 -3.441 -1.944 1.00 0.00 C ATOM 813 CD2 PHE A 53 -2.184 -2.113 -3.568 1.00 0.00 C ATOM 814 CE1 PHE A 53 -2.151 -4.105 -1.600 1.00 0.00 C ATOM 815 CE2 PHE A 53 -3.366 -2.778 -3.222 1.00 0.00 C ATOM 816 CZ PHE A 53 -3.350 -3.773 -2.239 1.00 0.00 C ATOM 0 H PHE A 53 1.739 -3.455 -2.244 1.00 0.00 H new ATOM 0 HA PHE A 53 0.645 -3.020 -5.015 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.832 -1.427 -2.395 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.071 -0.818 -3.851 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.041 -3.698 -1.450 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.198 -1.345 -4.327 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.138 -4.873 -0.841 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.292 -2.522 -3.715 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.263 -4.285 -1.974 1.00 0.00 H new ATOM 826 N THR A 54 2.251 -0.790 -5.343 1.00 0.00 N ATOM 827 CA THR A 54 3.436 -0.038 -5.848 1.00 0.00 C ATOM 828 C THR A 54 3.021 1.404 -6.067 1.00 0.00 C ATOM 829 O THR A 54 2.341 1.724 -7.025 1.00 0.00 O ATOM 830 CB THR A 54 3.850 -0.693 -7.174 1.00 0.00 C ATOM 831 OG1 THR A 54 3.374 -2.034 -7.234 1.00 0.00 O ATOM 832 CG2 THR A 54 5.375 -0.693 -7.285 1.00 0.00 C ATOM 0 H THR A 54 1.346 -0.378 -5.569 1.00 0.00 H new ATOM 0 HA THR A 54 4.271 -0.059 -5.148 1.00 0.00 H new ATOM 0 HB THR A 54 3.417 -0.126 -7.998 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.716 -2.116 -7.956 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.671 -1.157 -8.225 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.742 0.333 -7.256 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.800 -1.254 -6.453 1.00 0.00 H new ATOM 840 N VAL A 55 3.397 2.268 -5.169 1.00 0.00 N ATOM 841 CA VAL A 55 2.996 3.692 -5.301 1.00 0.00 C ATOM 842 C VAL A 55 4.218 4.587 -5.492 1.00 0.00 C ATOM 843 O VAL A 55 5.272 4.353 -4.938 1.00 0.00 O ATOM 844 CB VAL A 55 2.257 4.024 -3.998 1.00 0.00 C ATOM 845 CG1 VAL A 55 3.167 3.756 -2.799 1.00 0.00 C ATOM 846 CG2 VAL A 55 1.835 5.495 -4.001 1.00 0.00 C ATOM 0 H VAL A 55 3.964 2.049 -4.350 1.00 0.00 H new ATOM 0 HA VAL A 55 2.364 3.860 -6.173 1.00 0.00 H new ATOM 0 HB VAL A 55 1.371 3.394 -3.924 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.635 3.994 -1.878 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.456 2.705 -2.790 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.059 4.377 -2.873 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.311 5.725 -3.073 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.719 6.127 -4.084 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.174 5.682 -4.847 1.00 0.00 H new ATOM 856 N THR A 56 4.065 5.615 -6.278 1.00 0.00 N ATOM 857 CA THR A 56 5.199 6.550 -6.526 1.00 0.00 C ATOM 858 C THR A 56 4.669 7.984 -6.632 1.00 0.00 C ATOM 859 O THR A 56 3.508 8.235 -6.377 1.00 0.00 O ATOM 860 CB THR A 56 5.837 6.042 -7.835 1.00 0.00 C ATOM 861 OG1 THR A 56 7.182 6.514 -7.922 1.00 0.00 O ATOM 862 CG2 THR A 56 5.039 6.489 -9.072 1.00 0.00 C ATOM 0 H THR A 56 3.199 5.850 -6.762 1.00 0.00 H new ATOM 0 HA THR A 56 5.938 6.572 -5.725 1.00 0.00 H new ATOM 0 HB THR A 56 5.826 4.952 -7.816 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.429 6.627 -8.864 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.522 6.110 -9.973 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.024 6.096 -9.012 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.005 7.578 -9.109 1.00 0.00 H new ATOM 870 N GLU A 57 5.504 8.920 -6.999 1.00 0.00 N ATOM 871 CA GLU A 57 5.035 10.333 -7.117 1.00 0.00 C ATOM 872 C GLU A 57 5.404 10.901 -8.496 1.00 0.00 C ATOM 873 O GLU A 57 6.291 11.741 -8.562 1.00 0.00 O ATOM 874 CB GLU A 57 5.760 11.083 -5.995 1.00 0.00 C ATOM 875 CG GLU A 57 5.087 12.441 -5.764 1.00 0.00 C ATOM 876 CD GLU A 57 5.880 13.537 -6.479 1.00 0.00 C ATOM 877 OE1 GLU A 57 6.853 14.004 -5.911 1.00 0.00 O ATOM 878 OE2 GLU A 57 5.499 13.893 -7.582 1.00 0.00 O ATOM 879 OXT GLU A 57 4.792 10.486 -9.465 1.00 0.00 O ATOM 0 H GLU A 57 6.488 8.768 -7.222 1.00 0.00 H new ATOM 0 HA GLU A 57 3.953 10.424 -7.026 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.738 10.495 -5.078 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.808 11.225 -6.258 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.063 12.418 -6.136 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.034 12.655 -4.696 1.00 0.00 H new