USER MOD reduce.3.24.130724 H: found=0, std=0, add=473, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 472 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 THR N :NH3+ 145:sc= 0.248 (180deg=-0.0594) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.157 USER MOD Single : A 2 THR OG1 : rot -40:sc= -0.274! USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -0.682 X(o=-0.68,f=-0.71) USER MOD Single : A 10 LYS NZ :NH3+ -126:sc= -0.147 (180deg=-1.64) USER MOD Single : A 11 GLN :FLIP amide:sc= -4.34! C(o=-7.6!,f=-4.3!) USER MOD Single : A 13 LYS NZ :NH3+ -134:sc= -0.974 (180deg=-3.46!) USER MOD Single : A 18 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.109) USER MOD Single : A 25 THR OG1 : rot 70:sc= -3.92! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 159:sc= -0.0418 (180deg=-0.276) USER MOD Single : A 35 ASN : amide:sc= -1.31 K(o=-1.3,f=-3.8!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -91:sc= -0.3 USER MOD Single : A 46 LYS NZ :NH3+ -154:sc= 0.149 (180deg=-0.826!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -77:sc= 0.412 USER MOD Single : A 53 THR OG1 : rot 42:sc= 1.04 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 21.769 13.767 -4.992 1.00 0.00 N ATOM 2 CA THR A 1 21.228 14.889 -4.182 1.00 0.00 C ATOM 3 C THR A 1 20.195 15.689 -4.968 1.00 0.00 C ATOM 4 O THR A 1 20.148 16.916 -4.879 1.00 0.00 O ATOM 5 CB THR A 1 22.385 15.794 -3.768 1.00 0.00 C ATOM 6 OG1 THR A 1 23.545 15.025 -3.486 1.00 0.00 O ATOM 7 CG2 THR A 1 22.085 16.630 -2.541 1.00 0.00 C ATOM 0 H1 THR A 1 22.773 13.624 -4.761 1.00 0.00 H new ATOM 0 H2 THR A 1 21.238 12.898 -4.780 1.00 0.00 H new ATOM 0 H3 THR A 1 21.675 13.992 -6.003 1.00 0.00 H new ATOM 0 HA THR A 1 20.731 14.484 -3.300 1.00 0.00 H new ATOM 0 HB THR A 1 22.545 16.462 -4.614 1.00 0.00 H new ATOM 0 HG1 THR A 1 24.277 15.621 -3.224 1.00 0.00 H new ATOM 0 HG21 THR A 1 22.950 17.249 -2.302 1.00 0.00 H new ATOM 0 HG22 THR A 1 21.224 17.269 -2.738 1.00 0.00 H new ATOM 0 HG23 THR A 1 21.865 15.974 -1.699 1.00 0.00 H new ATOM 17 N THR A 2 19.369 14.987 -5.735 1.00 0.00 N ATOM 18 CA THR A 2 18.336 15.633 -6.537 1.00 0.00 C ATOM 19 C THR A 2 17.259 14.634 -6.946 1.00 0.00 C ATOM 20 O THR A 2 17.103 14.319 -8.127 1.00 0.00 O ATOM 21 CB THR A 2 18.954 16.276 -7.779 1.00 0.00 C ATOM 22 OG1 THR A 2 20.219 16.837 -7.478 1.00 0.00 O ATOM 23 CG2 THR A 2 18.096 17.372 -8.375 1.00 0.00 C ATOM 0 H THR A 2 19.394 13.971 -5.819 1.00 0.00 H new ATOM 0 HA THR A 2 17.871 16.409 -5.929 1.00 0.00 H new ATOM 0 HB THR A 2 19.043 15.470 -8.507 1.00 0.00 H new ATOM 0 HG1 THR A 2 20.184 17.270 -6.600 1.00 0.00 H new ATOM 0 HG21 THR A 2 18.592 17.786 -9.253 1.00 0.00 H new ATOM 0 HG22 THR A 2 17.129 16.960 -8.665 1.00 0.00 H new ATOM 0 HG23 THR A 2 17.948 18.160 -7.637 1.00 0.00 H new ATOM 31 N TYR A 3 16.515 14.139 -5.962 1.00 0.00 N ATOM 32 CA TYR A 3 15.451 13.175 -6.221 1.00 0.00 C ATOM 33 C TYR A 3 14.392 13.768 -7.147 1.00 0.00 C ATOM 34 O TYR A 3 14.340 14.981 -7.349 1.00 0.00 O ATOM 35 CB TYR A 3 14.803 12.732 -4.906 1.00 0.00 C ATOM 36 CG TYR A 3 14.519 13.872 -3.954 1.00 0.00 C ATOM 37 CD1 TYR A 3 13.643 14.891 -4.304 1.00 0.00 C ATOM 38 CD2 TYR A 3 15.128 13.927 -2.706 1.00 0.00 C ATOM 39 CE1 TYR A 3 13.382 15.935 -3.437 1.00 0.00 C ATOM 40 CE2 TYR A 3 14.871 14.968 -1.834 1.00 0.00 C ATOM 41 CZ TYR A 3 13.998 15.969 -2.204 1.00 0.00 C ATOM 42 OH TYR A 3 13.740 17.006 -1.339 1.00 0.00 O ATOM 0 H TYR A 3 16.629 14.389 -4.980 1.00 0.00 H new ATOM 0 HA TYR A 3 15.893 12.308 -6.711 1.00 0.00 H new ATOM 0 HB2 TYR A 3 13.870 12.214 -5.127 1.00 0.00 H new ATOM 0 HB3 TYR A 3 15.457 12.013 -4.413 1.00 0.00 H new ATOM 0 HD1 TYR A 3 13.158 14.867 -5.269 1.00 0.00 H new ATOM 0 HD2 TYR A 3 15.812 13.145 -2.413 1.00 0.00 H new ATOM 0 HE1 TYR A 3 12.699 16.721 -3.724 1.00 0.00 H new ATOM 0 HE2 TYR A 3 15.352 14.997 -0.867 1.00 0.00 H new ATOM 0 HH TYR A 3 14.253 16.879 -0.514 1.00 0.00 H new ATOM 52 N LYS A 4 13.552 12.903 -7.706 1.00 0.00 N ATOM 53 CA LYS A 4 12.496 13.340 -8.611 1.00 0.00 C ATOM 54 C LYS A 4 11.451 14.165 -7.868 1.00 0.00 C ATOM 55 O LYS A 4 10.919 13.735 -6.844 1.00 0.00 O ATOM 56 CB LYS A 4 11.834 12.131 -9.275 1.00 0.00 C ATOM 57 CG LYS A 4 11.120 11.214 -8.294 1.00 0.00 C ATOM 58 CD LYS A 4 10.809 9.863 -8.919 1.00 0.00 C ATOM 59 CE LYS A 4 9.396 9.409 -8.589 1.00 0.00 C ATOM 60 NZ LYS A 4 9.308 7.929 -8.446 1.00 0.00 N ATOM 0 H LYS A 4 13.582 11.896 -7.548 1.00 0.00 H new ATOM 0 HA LYS A 4 12.946 13.967 -9.381 1.00 0.00 H new ATOM 0 HB2 LYS A 4 11.118 12.482 -10.019 1.00 0.00 H new ATOM 0 HB3 LYS A 4 12.593 11.559 -9.808 1.00 0.00 H new ATOM 0 HG2 LYS A 4 11.740 11.072 -7.409 1.00 0.00 H new ATOM 0 HG3 LYS A 4 10.194 11.684 -7.962 1.00 0.00 H new ATOM 0 HD2 LYS A 4 10.929 9.925 -10.001 1.00 0.00 H new ATOM 0 HD3 LYS A 4 11.524 9.122 -8.561 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.069 9.883 -7.664 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.716 9.739 -9.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.329 7.660 -8.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.596 7.476 -9.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.938 7.616 -7.680 1.00 0.00 H new ATOM 74 N LEU A 5 11.160 15.352 -8.390 1.00 0.00 N ATOM 75 CA LEU A 5 10.179 16.239 -7.777 1.00 0.00 C ATOM 76 C LEU A 5 8.809 15.568 -7.703 1.00 0.00 C ATOM 77 O LEU A 5 8.014 15.652 -8.638 1.00 0.00 O ATOM 78 CB LEU A 5 10.077 17.544 -8.573 1.00 0.00 C ATOM 79 CG LEU A 5 11.323 18.449 -8.556 1.00 0.00 C ATOM 80 CD1 LEU A 5 10.997 19.784 -7.907 1.00 0.00 C ATOM 81 CD2 LEU A 5 12.495 17.788 -7.837 1.00 0.00 C ATOM 0 H LEU A 5 11.591 15.722 -9.237 1.00 0.00 H new ATOM 0 HA LEU A 5 10.510 16.462 -6.763 1.00 0.00 H new ATOM 0 HB2 LEU A 5 9.847 17.296 -9.609 1.00 0.00 H new ATOM 0 HB3 LEU A 5 9.233 18.116 -8.187 1.00 0.00 H new ATOM 0 HG LEU A 5 11.621 18.615 -9.591 1.00 0.00 H new ATOM 0 HD11 LEU A 5 11.887 20.413 -7.902 1.00 0.00 H new ATOM 0 HD12 LEU A 5 10.206 20.279 -8.470 1.00 0.00 H new ATOM 0 HD13 LEU A 5 10.664 19.619 -6.882 1.00 0.00 H new ATOM 0 HD21 LEU A 5 13.354 18.459 -7.847 1.00 0.00 H new ATOM 0 HD22 LEU A 5 12.215 17.573 -6.806 1.00 0.00 H new ATOM 0 HD23 LEU A 5 12.755 16.858 -8.343 1.00 0.00 H new ATOM 93 N ILE A 6 8.544 14.902 -6.584 1.00 0.00 N ATOM 94 CA ILE A 6 7.277 14.214 -6.382 1.00 0.00 C ATOM 95 C ILE A 6 6.093 15.155 -6.586 1.00 0.00 C ATOM 96 O ILE A 6 6.116 16.306 -6.150 1.00 0.00 O ATOM 97 CB ILE A 6 7.201 13.600 -4.966 1.00 0.00 C ATOM 98 CG1 ILE A 6 5.798 13.058 -4.682 1.00 0.00 C ATOM 99 CG2 ILE A 6 7.593 14.632 -3.920 1.00 0.00 C ATOM 100 CD1 ILE A 6 5.296 12.094 -5.734 1.00 0.00 C ATOM 0 H ILE A 6 9.193 14.825 -5.801 1.00 0.00 H new ATOM 0 HA ILE A 6 7.225 13.417 -7.124 1.00 0.00 H new ATOM 0 HB ILE A 6 7.904 12.768 -4.916 1.00 0.00 H new ATOM 0 HG12 ILE A 6 5.800 12.557 -3.714 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.103 13.894 -4.606 1.00 0.00 H new ATOM 0 HG21 ILE A 6 7.535 14.185 -2.928 1.00 0.00 H new ATOM 0 HG22 ILE A 6 8.612 14.970 -4.106 1.00 0.00 H new ATOM 0 HG23 ILE A 6 6.913 15.482 -3.975 1.00 0.00 H new ATOM 0 HD11 ILE A 6 4.296 11.751 -5.466 1.00 0.00 H new ATOM 0 HD12 ILE A 6 5.261 12.596 -6.701 1.00 0.00 H new ATOM 0 HD13 ILE A 6 5.969 11.238 -5.794 1.00 0.00 H new ATOM 112 N LEU A 7 5.058 14.650 -7.248 1.00 0.00 N ATOM 113 CA LEU A 7 3.857 15.430 -7.509 1.00 0.00 C ATOM 114 C LEU A 7 2.713 14.969 -6.602 1.00 0.00 C ATOM 115 O LEU A 7 2.951 14.479 -5.499 1.00 0.00 O ATOM 116 CB LEU A 7 3.464 15.307 -8.985 1.00 0.00 C ATOM 117 CG LEU A 7 4.624 15.424 -9.975 1.00 0.00 C ATOM 118 CD1 LEU A 7 4.195 14.956 -11.356 1.00 0.00 C ATOM 119 CD2 LEU A 7 5.134 16.856 -10.030 1.00 0.00 C ATOM 0 H LEU A 7 5.028 13.699 -7.615 1.00 0.00 H new ATOM 0 HA LEU A 7 4.061 16.478 -7.290 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.973 14.346 -9.136 1.00 0.00 H new ATOM 0 HB3 LEU A 7 2.730 16.079 -9.216 1.00 0.00 H new ATOM 0 HG LEU A 7 5.436 14.783 -9.633 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.033 15.046 -12.047 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.877 13.915 -11.305 1.00 0.00 H new ATOM 0 HD13 LEU A 7 3.367 15.571 -11.708 1.00 0.00 H new ATOM 0 HD21 LEU A 7 5.959 16.921 -10.739 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.328 17.517 -10.349 1.00 0.00 H new ATOM 0 HD23 LEU A 7 5.481 17.157 -9.041 1.00 0.00 H new ATOM 131 N ASN A 8 1.474 15.131 -7.067 1.00 0.00 N ATOM 132 CA ASN A 8 0.297 14.733 -6.292 1.00 0.00 C ATOM 133 C ASN A 8 0.479 13.364 -5.642 1.00 0.00 C ATOM 134 O ASN A 8 1.250 12.530 -6.120 1.00 0.00 O ATOM 135 CB ASN A 8 -0.945 14.715 -7.183 1.00 0.00 C ATOM 136 CG ASN A 8 -1.103 15.992 -7.984 1.00 0.00 C ATOM 137 OD1 ASN A 8 -1.284 17.073 -7.421 1.00 0.00 O ATOM 138 ND2 ASN A 8 -1.038 15.874 -9.305 1.00 0.00 N ATOM 0 H ASN A 8 1.259 15.536 -7.978 1.00 0.00 H new ATOM 0 HA ASN A 8 0.169 15.469 -5.499 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -0.887 13.867 -7.865 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -1.830 14.566 -6.564 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -1.139 16.699 -9.896 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -0.887 14.958 -9.728 1.00 0.00 H new ATOM 145 N LEU A 9 -0.245 13.146 -4.549 1.00 0.00 N ATOM 146 CA LEU A 9 -0.187 11.888 -3.815 1.00 0.00 C ATOM 147 C LEU A 9 -0.842 10.759 -4.608 1.00 0.00 C ATOM 148 O LEU A 9 -0.451 9.600 -4.482 1.00 0.00 O ATOM 149 CB LEU A 9 -0.865 12.038 -2.453 1.00 0.00 C ATOM 150 CG LEU A 9 -2.227 12.731 -2.482 1.00 0.00 C ATOM 151 CD1 LEU A 9 -3.194 12.031 -1.543 1.00 0.00 C ATOM 152 CD2 LEU A 9 -2.090 14.201 -2.109 1.00 0.00 C ATOM 0 H LEU A 9 -0.885 13.832 -4.149 1.00 0.00 H new ATOM 0 HA LEU A 9 0.862 11.633 -3.663 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.987 11.048 -2.014 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.203 12.599 -1.794 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.623 12.672 -3.496 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -4.160 12.535 -1.574 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.316 10.993 -1.854 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.801 12.062 -0.527 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.071 14.676 -2.136 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.674 14.284 -1.105 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -1.428 14.696 -2.819 1.00 0.00 H new ATOM 164 N LYS A 10 -1.848 11.107 -5.413 1.00 0.00 N ATOM 165 CA LYS A 10 -2.580 10.135 -6.229 1.00 0.00 C ATOM 166 C LYS A 10 -1.666 9.022 -6.745 1.00 0.00 C ATOM 167 O LYS A 10 -1.980 7.842 -6.609 1.00 0.00 O ATOM 168 CB LYS A 10 -3.248 10.840 -7.410 1.00 0.00 C ATOM 169 CG LYS A 10 -4.387 11.763 -7.003 1.00 0.00 C ATOM 170 CD LYS A 10 -4.083 13.213 -7.350 1.00 0.00 C ATOM 171 CE LYS A 10 -4.477 14.152 -6.220 1.00 0.00 C ATOM 172 NZ LYS A 10 -4.216 15.577 -6.566 1.00 0.00 N ATOM 0 H LYS A 10 -2.178 12.067 -5.518 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.339 9.679 -5.594 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.498 11.418 -7.949 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.629 10.089 -8.102 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.304 11.453 -7.504 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.563 11.674 -5.931 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.019 13.322 -7.561 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.618 13.491 -8.258 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -5.535 14.022 -5.992 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.922 13.889 -5.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.626 16.011 -5.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -3.720 15.627 -7.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.119 16.089 -6.634 1.00 0.00 H new ATOM 186 N GLN A 11 -0.533 9.403 -7.329 1.00 0.00 N ATOM 187 CA GLN A 11 0.423 8.426 -7.854 1.00 0.00 C ATOM 188 C GLN A 11 0.613 7.271 -6.870 1.00 0.00 C ATOM 189 O GLN A 11 0.718 6.109 -7.267 1.00 0.00 O ATOM 190 CB GLN A 11 1.771 9.095 -8.140 1.00 0.00 C ATOM 191 CG GLN A 11 2.182 10.127 -7.098 1.00 0.00 C ATOM 192 CD GLN A 11 3.359 9.673 -6.258 1.00 0.00 C ATOM 193 OE1 GLN A 11 3.282 9.914 -4.955 1.00 0.00 O flip ATOM 194 NE2 GLN A 11 4.326 9.112 -6.774 1.00 0.00 N flip ATOM 0 H GLN A 11 -0.253 10.376 -7.451 1.00 0.00 H new ATOM 0 HA GLN A 11 0.021 8.028 -8.786 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.542 8.326 -8.199 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.726 9.577 -9.116 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.437 11.061 -7.599 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.334 10.336 -6.445 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.343 8.947 -7.780 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.110 8.812 -6.195 1.00 0.00 H new ATOM 203 N ALA A 12 0.638 7.606 -5.586 1.00 0.00 N ATOM 204 CA ALA A 12 0.798 6.611 -4.535 1.00 0.00 C ATOM 205 C ALA A 12 -0.528 5.920 -4.236 1.00 0.00 C ATOM 206 O ALA A 12 -0.563 4.736 -3.898 1.00 0.00 O ATOM 207 CB ALA A 12 1.352 7.259 -3.277 1.00 0.00 C ATOM 0 H ALA A 12 0.549 8.564 -5.247 1.00 0.00 H new ATOM 0 HA ALA A 12 1.504 5.857 -4.882 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.467 6.504 -2.499 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.322 7.706 -3.495 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.665 8.032 -2.933 1.00 0.00 H new ATOM 213 N LYS A 13 -1.622 6.662 -4.373 1.00 0.00 N ATOM 214 CA LYS A 13 -2.945 6.114 -4.130 1.00 0.00 C ATOM 215 C LYS A 13 -3.190 4.942 -5.077 1.00 0.00 C ATOM 216 O LYS A 13 -3.801 3.940 -4.705 1.00 0.00 O ATOM 217 CB LYS A 13 -4.013 7.212 -4.287 1.00 0.00 C ATOM 218 CG LYS A 13 -5.217 6.812 -5.128 1.00 0.00 C ATOM 219 CD LYS A 13 -4.894 6.863 -6.611 1.00 0.00 C ATOM 220 CE LYS A 13 -5.998 7.547 -7.402 1.00 0.00 C ATOM 221 NZ LYS A 13 -5.877 9.031 -7.362 1.00 0.00 N ATOM 0 H LYS A 13 -1.615 7.643 -4.651 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.010 5.743 -3.107 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.360 7.506 -3.297 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.549 8.090 -4.736 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.535 5.805 -4.857 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -6.052 7.479 -4.912 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.955 7.395 -6.761 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.750 5.850 -6.987 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.965 7.209 -8.438 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.968 7.252 -7.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.808 9.450 -7.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -5.208 9.305 -6.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.530 9.376 -8.280 1.00 0.00 H new ATOM 235 N GLU A 14 -2.685 5.075 -6.301 1.00 0.00 N ATOM 236 CA GLU A 14 -2.823 4.030 -7.305 1.00 0.00 C ATOM 237 C GLU A 14 -1.832 2.907 -7.020 1.00 0.00 C ATOM 238 O GLU A 14 -2.106 1.737 -7.285 1.00 0.00 O ATOM 239 CB GLU A 14 -2.590 4.598 -8.707 1.00 0.00 C ATOM 240 CG GLU A 14 -2.674 3.555 -9.811 1.00 0.00 C ATOM 241 CD GLU A 14 -4.027 2.875 -9.868 1.00 0.00 C ATOM 242 OE1 GLU A 14 -4.999 3.524 -10.310 1.00 0.00 O ATOM 243 OE2 GLU A 14 -4.116 1.694 -9.472 1.00 0.00 O ATOM 0 H GLU A 14 -2.176 5.899 -6.619 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.837 3.632 -7.260 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.326 5.379 -8.900 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.608 5.070 -8.739 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.469 4.030 -10.771 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -1.900 2.803 -9.656 1.00 0.00 H new ATOM 250 N GLU A 15 -0.682 3.277 -6.457 1.00 0.00 N ATOM 251 CA GLU A 15 0.351 2.308 -6.111 1.00 0.00 C ATOM 252 C GLU A 15 -0.241 1.178 -5.273 1.00 0.00 C ATOM 253 O GLU A 15 -0.039 -0.004 -5.561 1.00 0.00 O ATOM 254 CB GLU A 15 1.469 3.003 -5.333 1.00 0.00 C ATOM 255 CG GLU A 15 2.673 3.346 -6.184 1.00 0.00 C ATOM 256 CD GLU A 15 3.281 2.130 -6.857 1.00 0.00 C ATOM 257 OE1 GLU A 15 4.058 1.411 -6.194 1.00 0.00 O ATOM 258 OE2 GLU A 15 2.979 1.897 -8.046 1.00 0.00 O ATOM 0 H GLU A 15 -0.444 4.243 -6.232 1.00 0.00 H new ATOM 0 HA GLU A 15 0.759 1.884 -7.029 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.077 3.917 -4.887 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.785 2.358 -4.513 1.00 0.00 H new ATOM 0 HG2 GLU A 15 2.380 4.069 -6.945 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.428 3.827 -5.561 1.00 0.00 H new ATOM 265 N ALA A 16 -0.986 1.558 -4.240 1.00 0.00 N ATOM 266 CA ALA A 16 -1.622 0.591 -3.356 1.00 0.00 C ATOM 267 C ALA A 16 -2.813 -0.071 -4.035 1.00 0.00 C ATOM 268 O ALA A 16 -3.005 -1.281 -3.925 1.00 0.00 O ATOM 269 CB ALA A 16 -2.059 1.269 -2.068 1.00 0.00 C ATOM 0 H ALA A 16 -1.164 2.532 -3.995 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.894 -0.185 -3.120 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.533 0.537 -1.414 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.189 1.693 -1.567 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.769 2.064 -2.298 1.00 0.00 H new ATOM 275 N ILE A 17 -3.610 0.727 -4.739 1.00 0.00 N ATOM 276 CA ILE A 17 -4.781 0.212 -5.438 1.00 0.00 C ATOM 277 C ILE A 17 -4.383 -0.899 -6.408 1.00 0.00 C ATOM 278 O ILE A 17 -5.002 -1.961 -6.439 1.00 0.00 O ATOM 279 CB ILE A 17 -5.519 1.344 -6.202 1.00 0.00 C ATOM 280 CG1 ILE A 17 -6.317 2.206 -5.221 1.00 0.00 C ATOM 281 CG2 ILE A 17 -6.437 0.794 -7.296 1.00 0.00 C ATOM 282 CD1 ILE A 17 -7.038 3.361 -5.879 1.00 0.00 C ATOM 0 H ILE A 17 -3.466 1.732 -4.840 1.00 0.00 H new ATOM 0 HA ILE A 17 -5.460 -0.198 -4.691 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.763 1.959 -6.691 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -7.046 1.578 -4.708 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -5.641 2.596 -4.460 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -6.933 1.621 -7.805 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.846 0.227 -8.016 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -7.187 0.142 -6.848 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -7.582 3.928 -5.124 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -6.313 4.011 -6.368 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -7.739 2.977 -6.620 1.00 0.00 H new ATOM 294 N LYS A 18 -3.342 -0.646 -7.194 1.00 0.00 N ATOM 295 CA LYS A 18 -2.860 -1.626 -8.159 1.00 0.00 C ATOM 296 C LYS A 18 -2.416 -2.905 -7.456 1.00 0.00 C ATOM 297 O LYS A 18 -2.744 -4.010 -7.891 1.00 0.00 O ATOM 298 CB LYS A 18 -1.702 -1.043 -8.972 1.00 0.00 C ATOM 299 CG LYS A 18 -2.014 -0.893 -10.453 1.00 0.00 C ATOM 300 CD LYS A 18 -1.518 0.439 -10.998 1.00 0.00 C ATOM 301 CE LYS A 18 -0.697 0.254 -12.264 1.00 0.00 C ATOM 302 NZ LYS A 18 -1.484 -0.397 -13.347 1.00 0.00 N ATOM 0 H LYS A 18 -2.817 0.228 -7.181 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.679 -1.872 -8.835 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.437 -0.067 -8.564 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.828 -1.684 -8.856 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.550 -1.709 -11.008 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -3.090 -0.973 -10.609 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.369 1.087 -11.207 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.914 0.940 -10.242 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.338 1.224 -12.609 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.182 -0.350 -12.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.007 -0.249 -14.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.559 -1.417 -13.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.436 0.020 -13.383 1.00 0.00 H new ATOM 316 N GLU A 19 -1.666 -2.749 -6.370 1.00 0.00 N ATOM 317 CA GLU A 19 -1.174 -3.890 -5.610 1.00 0.00 C ATOM 318 C GLU A 19 -2.303 -4.574 -4.844 1.00 0.00 C ATOM 319 O GLU A 19 -2.310 -5.796 -4.687 1.00 0.00 O ATOM 320 CB GLU A 19 -0.085 -3.438 -4.635 1.00 0.00 C ATOM 321 CG GLU A 19 0.961 -2.537 -5.270 1.00 0.00 C ATOM 322 CD GLU A 19 2.208 -3.294 -5.684 1.00 0.00 C ATOM 323 OE1 GLU A 19 2.516 -4.324 -5.049 1.00 0.00 O ATOM 324 OE2 GLU A 19 2.877 -2.855 -6.644 1.00 0.00 O ATOM 0 H GLU A 19 -1.386 -1.842 -5.997 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.757 -4.610 -6.314 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.550 -2.911 -3.802 1.00 0.00 H new ATOM 0 HB3 GLU A 19 0.408 -4.317 -4.220 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.531 -2.047 -6.144 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.234 -1.751 -4.566 1.00 0.00 H new ATOM 331 N LEU A 20 -3.254 -3.779 -4.360 1.00 0.00 N ATOM 332 CA LEU A 20 -4.378 -4.314 -3.601 1.00 0.00 C ATOM 333 C LEU A 20 -5.295 -5.151 -4.485 1.00 0.00 C ATOM 334 O LEU A 20 -5.841 -6.162 -4.045 1.00 0.00 O ATOM 335 CB LEU A 20 -5.172 -3.183 -2.942 1.00 0.00 C ATOM 336 CG LEU A 20 -4.910 -2.982 -1.445 1.00 0.00 C ATOM 337 CD1 LEU A 20 -3.498 -2.476 -1.209 1.00 0.00 C ATOM 338 CD2 LEU A 20 -5.927 -2.016 -0.863 1.00 0.00 C ATOM 0 H LEU A 20 -3.268 -2.766 -4.480 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.972 -4.960 -2.823 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.945 -2.252 -3.462 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -6.235 -3.377 -3.085 1.00 0.00 H new ATOM 0 HG LEU A 20 -5.013 -3.944 -0.943 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.334 -2.340 -0.140 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.782 -3.201 -1.597 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.363 -1.523 -1.721 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.732 -1.880 0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.849 -1.055 -1.372 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.931 -2.418 -1.000 1.00 0.00 H new ATOM 350 N VAL A 21 -5.462 -4.729 -5.730 1.00 0.00 N ATOM 351 CA VAL A 21 -6.313 -5.449 -6.667 1.00 0.00 C ATOM 352 C VAL A 21 -5.641 -6.741 -7.125 1.00 0.00 C ATOM 353 O VAL A 21 -6.311 -7.727 -7.434 1.00 0.00 O ATOM 354 CB VAL A 21 -6.650 -4.586 -7.899 1.00 0.00 C ATOM 355 CG1 VAL A 21 -7.663 -5.291 -8.787 1.00 0.00 C ATOM 356 CG2 VAL A 21 -7.167 -3.221 -7.472 1.00 0.00 C ATOM 0 H VAL A 21 -5.021 -3.894 -6.114 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.239 -5.688 -6.143 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.736 -4.440 -8.475 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.887 -4.665 -9.651 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.251 -6.242 -9.125 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.578 -5.472 -8.223 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.399 -2.627 -8.356 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.068 -3.345 -6.871 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.405 -2.711 -6.882 1.00 0.00 H new ATOM 366 N ASP A 22 -4.313 -6.721 -7.172 1.00 0.00 N ATOM 367 CA ASP A 22 -3.539 -7.881 -7.600 1.00 0.00 C ATOM 368 C ASP A 22 -3.545 -8.992 -6.550 1.00 0.00 C ATOM 369 O ASP A 22 -3.349 -10.162 -6.881 1.00 0.00 O ATOM 370 CB ASP A 22 -2.098 -7.468 -7.905 1.00 0.00 C ATOM 371 CG ASP A 22 -1.472 -8.315 -8.994 1.00 0.00 C ATOM 372 OD1 ASP A 22 -1.803 -8.098 -10.179 1.00 0.00 O ATOM 373 OD2 ASP A 22 -0.652 -9.198 -8.663 1.00 0.00 O ATOM 0 H ASP A 22 -3.748 -5.911 -6.918 1.00 0.00 H new ATOM 0 HA ASP A 22 -4.010 -8.272 -8.502 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.079 -6.421 -8.207 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.500 -7.548 -6.997 1.00 0.00 H new ATOM 378 N ALA A 23 -3.759 -8.633 -5.286 1.00 0.00 N ATOM 379 CA ALA A 23 -3.773 -9.630 -4.211 1.00 0.00 C ATOM 380 C ALA A 23 -4.906 -9.383 -3.217 1.00 0.00 C ATOM 381 O ALA A 23 -5.274 -8.241 -2.949 1.00 0.00 O ATOM 382 CB ALA A 23 -2.430 -9.654 -3.486 1.00 0.00 C ATOM 0 H ALA A 23 -3.923 -7.674 -4.981 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.947 -10.602 -4.673 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.459 -10.400 -2.691 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.640 -9.907 -4.193 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.231 -8.673 -3.055 1.00 0.00 H new ATOM 388 N GLY A 24 -5.449 -10.466 -2.673 1.00 0.00 N ATOM 389 CA GLY A 24 -6.533 -10.355 -1.709 1.00 0.00 C ATOM 390 C GLY A 24 -6.072 -9.786 -0.380 1.00 0.00 C ATOM 391 O GLY A 24 -6.098 -10.467 0.640 1.00 0.00 O ATOM 0 H GLY A 24 -5.159 -11.421 -2.881 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.317 -9.719 -2.120 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.973 -11.339 -1.546 1.00 0.00 H new ATOM 395 N THR A 25 -5.641 -8.531 -0.404 1.00 0.00 N ATOM 396 CA THR A 25 -5.162 -7.853 0.797 1.00 0.00 C ATOM 397 C THR A 25 -6.323 -7.230 1.584 1.00 0.00 C ATOM 398 O THR A 25 -6.900 -7.875 2.457 1.00 0.00 O ATOM 399 CB THR A 25 -4.126 -6.795 0.418 1.00 0.00 C ATOM 400 OG1 THR A 25 -4.139 -5.716 1.335 1.00 0.00 O ATOM 401 CG2 THR A 25 -4.321 -6.220 -0.964 1.00 0.00 C ATOM 0 H THR A 25 -5.613 -7.958 -1.247 1.00 0.00 H new ATOM 0 HA THR A 25 -4.689 -8.590 1.446 1.00 0.00 H new ATOM 0 HB THR A 25 -3.172 -7.322 0.441 1.00 0.00 H new ATOM 0 HG1 THR A 25 -3.780 -6.014 2.196 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.549 -5.477 -1.161 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.253 -7.018 -1.703 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.302 -5.749 -1.027 1.00 0.00 H new ATOM 409 N ALA A 26 -6.661 -5.978 1.275 1.00 0.00 N ATOM 410 CA ALA A 26 -7.745 -5.279 1.955 1.00 0.00 C ATOM 411 C ALA A 26 -7.904 -3.859 1.419 1.00 0.00 C ATOM 412 O ALA A 26 -6.969 -3.068 1.452 1.00 0.00 O ATOM 413 CB ALA A 26 -7.509 -5.256 3.460 1.00 0.00 C ATOM 0 H ALA A 26 -6.195 -5.427 0.554 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.669 -5.822 1.757 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.329 -4.730 3.949 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.458 -6.278 3.836 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.571 -4.744 3.673 1.00 0.00 H new ATOM 419 N GLU A 27 -9.096 -3.551 0.919 1.00 0.00 N ATOM 420 CA GLU A 27 -9.391 -2.229 0.356 1.00 0.00 C ATOM 421 C GLU A 27 -8.949 -1.100 1.287 1.00 0.00 C ATOM 422 O GLU A 27 -8.329 -0.129 0.844 1.00 0.00 O ATOM 423 CB GLU A 27 -10.899 -2.106 0.086 1.00 0.00 C ATOM 424 CG GLU A 27 -11.386 -2.878 -1.137 1.00 0.00 C ATOM 425 CD GLU A 27 -10.556 -4.112 -1.440 1.00 0.00 C ATOM 426 OE1 GLU A 27 -9.422 -3.961 -1.923 1.00 0.00 O ATOM 427 OE2 GLU A 27 -11.051 -5.237 -1.185 1.00 0.00 O ATOM 0 H GLU A 27 -9.882 -4.201 0.890 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.832 -2.135 -0.575 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.443 -2.458 0.963 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -11.148 -1.053 -0.042 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.423 -3.176 -0.980 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.372 -2.218 -2.004 1.00 0.00 H new ATOM 434 N LYS A 28 -9.287 -1.220 2.566 1.00 0.00 N ATOM 435 CA LYS A 28 -8.946 -0.199 3.567 1.00 0.00 C ATOM 436 C LYS A 28 -7.573 0.420 3.333 1.00 0.00 C ATOM 437 O LYS A 28 -7.394 1.624 3.514 1.00 0.00 O ATOM 438 CB LYS A 28 -9.009 -0.777 4.997 1.00 0.00 C ATOM 439 CG LYS A 28 -9.200 -2.281 5.072 1.00 0.00 C ATOM 440 CD LYS A 28 -10.678 -2.653 5.045 1.00 0.00 C ATOM 441 CE LYS A 28 -10.905 -3.965 4.316 1.00 0.00 C ATOM 442 NZ LYS A 28 -12.245 -4.550 4.637 1.00 0.00 N ATOM 0 H LYS A 28 -9.800 -2.017 2.942 1.00 0.00 H new ATOM 0 HA LYS A 28 -9.692 0.588 3.458 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.089 -0.516 5.519 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.827 -0.295 5.532 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -8.688 -2.757 4.236 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -8.743 -2.663 5.985 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -11.054 -2.732 6.065 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.245 -1.861 4.557 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -10.826 -3.803 3.241 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.123 -4.674 4.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.365 -5.445 4.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.310 -4.728 5.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.992 -3.884 4.353 1.00 0.00 H new ATOM 456 N TYR A 29 -6.599 -0.399 2.950 1.00 0.00 N ATOM 457 CA TYR A 29 -5.240 0.098 2.720 1.00 0.00 C ATOM 458 C TYR A 29 -5.203 1.219 1.681 1.00 0.00 C ATOM 459 O TYR A 29 -4.639 2.282 1.941 1.00 0.00 O ATOM 460 CB TYR A 29 -4.288 -1.036 2.317 1.00 0.00 C ATOM 461 CG TYR A 29 -4.301 -2.195 3.288 1.00 0.00 C ATOM 462 CD1 TYR A 29 -3.994 -1.998 4.629 1.00 0.00 C ATOM 463 CD2 TYR A 29 -4.623 -3.479 2.870 1.00 0.00 C ATOM 464 CE1 TYR A 29 -4.005 -3.046 5.523 1.00 0.00 C ATOM 465 CE2 TYR A 29 -4.637 -4.534 3.762 1.00 0.00 C ATOM 466 CZ TYR A 29 -4.329 -4.313 5.087 1.00 0.00 C ATOM 467 OH TYR A 29 -4.342 -5.361 5.977 1.00 0.00 O ATOM 0 H TYR A 29 -6.719 -1.400 2.793 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.899 0.514 3.668 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -4.562 -1.397 1.326 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -3.274 -0.642 2.244 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -3.743 -1.007 4.976 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -4.866 -3.656 1.833 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -3.761 -2.876 6.561 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -4.888 -5.528 3.422 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.592 -6.185 5.509 1.00 0.00 H new ATOM 477 N PHE A 30 -5.793 0.997 0.506 1.00 0.00 N ATOM 478 CA PHE A 30 -5.787 2.028 -0.528 1.00 0.00 C ATOM 479 C PHE A 30 -6.587 3.249 -0.088 1.00 0.00 C ATOM 480 O PHE A 30 -6.354 4.358 -0.568 1.00 0.00 O ATOM 481 CB PHE A 30 -6.302 1.500 -1.879 1.00 0.00 C ATOM 482 CG PHE A 30 -7.752 1.089 -1.909 1.00 0.00 C ATOM 483 CD1 PHE A 30 -8.763 1.982 -1.580 1.00 0.00 C ATOM 484 CD2 PHE A 30 -8.102 -0.197 -2.288 1.00 0.00 C ATOM 485 CE1 PHE A 30 -10.089 1.598 -1.627 1.00 0.00 C ATOM 486 CE2 PHE A 30 -9.426 -0.586 -2.335 1.00 0.00 C ATOM 487 CZ PHE A 30 -10.420 0.311 -2.004 1.00 0.00 C ATOM 0 H PHE A 30 -6.271 0.132 0.251 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.749 2.327 -0.671 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -6.146 2.271 -2.633 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.694 0.643 -2.169 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.510 2.989 -1.284 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -7.329 -0.904 -2.550 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -10.866 2.303 -1.369 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -9.683 -1.592 -2.631 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.456 0.008 -2.040 1.00 0.00 H new ATOM 497 N LYS A 31 -7.525 3.045 0.833 1.00 0.00 N ATOM 498 CA LYS A 31 -8.345 4.144 1.333 1.00 0.00 C ATOM 499 C LYS A 31 -7.614 4.885 2.445 1.00 0.00 C ATOM 500 O LYS A 31 -7.751 6.099 2.596 1.00 0.00 O ATOM 501 CB LYS A 31 -9.687 3.622 1.852 1.00 0.00 C ATOM 502 CG LYS A 31 -10.869 4.001 0.974 1.00 0.00 C ATOM 503 CD LYS A 31 -11.950 4.716 1.768 1.00 0.00 C ATOM 504 CE LYS A 31 -11.734 6.221 1.777 1.00 0.00 C ATOM 505 NZ LYS A 31 -11.989 6.826 0.440 1.00 0.00 N ATOM 0 H LYS A 31 -7.735 2.136 1.245 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.532 4.833 0.509 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.638 2.536 1.932 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -9.853 4.009 2.857 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.528 4.643 0.162 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.286 3.104 0.517 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -12.927 4.490 1.339 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -11.957 4.343 2.792 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -12.394 6.678 2.514 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.712 6.439 2.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -12.183 7.842 0.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.153 6.696 -0.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -12.810 6.363 0.000 1.00 0.00 H new ATOM 519 N LEU A 32 -6.837 4.139 3.219 1.00 0.00 N ATOM 520 CA LEU A 32 -6.076 4.708 4.321 1.00 0.00 C ATOM 521 C LEU A 32 -4.881 5.503 3.803 1.00 0.00 C ATOM 522 O LEU A 32 -4.511 6.529 4.373 1.00 0.00 O ATOM 523 CB LEU A 32 -5.604 3.593 5.256 1.00 0.00 C ATOM 524 CG LEU A 32 -6.155 3.666 6.681 1.00 0.00 C ATOM 525 CD1 LEU A 32 -5.822 2.397 7.448 1.00 0.00 C ATOM 526 CD2 LEU A 32 -5.604 4.888 7.403 1.00 0.00 C ATOM 0 H LEU A 32 -6.718 3.133 3.102 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.723 5.389 4.873 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.885 2.633 4.823 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.515 3.615 5.302 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.240 3.758 6.627 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.222 2.468 8.459 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.265 1.539 6.942 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.740 2.273 7.494 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.006 4.925 8.415 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.517 4.825 7.447 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.894 5.790 6.865 1.00 0.00 H new ATOM 538 N ILE A 33 -4.280 5.019 2.720 1.00 0.00 N ATOM 539 CA ILE A 33 -3.125 5.684 2.130 1.00 0.00 C ATOM 540 C ILE A 33 -3.538 6.913 1.322 1.00 0.00 C ATOM 541 O ILE A 33 -2.928 7.975 1.443 1.00 0.00 O ATOM 542 CB ILE A 33 -2.309 4.731 1.236 1.00 0.00 C ATOM 543 CG1 ILE A 33 -3.219 3.966 0.273 1.00 0.00 C ATOM 544 CG2 ILE A 33 -1.506 3.764 2.095 1.00 0.00 C ATOM 545 CD1 ILE A 33 -2.920 4.245 -1.182 1.00 0.00 C ATOM 0 H ILE A 33 -4.573 4.171 2.235 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.496 6.003 2.961 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.619 5.328 0.640 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.116 2.897 0.459 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -4.257 4.227 0.480 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.933 3.096 1.452 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.824 4.325 2.734 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.185 3.178 2.715 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.601 3.671 -1.810 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -3.050 5.308 -1.383 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.892 3.957 -1.404 1.00 0.00 H new ATOM 557 N ALA A 34 -4.580 6.772 0.507 1.00 0.00 N ATOM 558 CA ALA A 34 -5.066 7.881 -0.303 1.00 0.00 C ATOM 559 C ALA A 34 -5.411 9.080 0.574 1.00 0.00 C ATOM 560 O ALA A 34 -5.325 10.228 0.140 1.00 0.00 O ATOM 561 CB ALA A 34 -6.278 7.450 -1.115 1.00 0.00 C ATOM 0 H ALA A 34 -5.101 5.903 0.391 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.273 8.178 -0.990 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.631 8.289 -1.715 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.002 6.625 -1.771 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.072 7.127 -0.441 1.00 0.00 H new ATOM 567 N ASN A 35 -5.796 8.800 1.816 1.00 0.00 N ATOM 568 CA ASN A 35 -6.147 9.847 2.764 1.00 0.00 C ATOM 569 C ASN A 35 -4.893 10.561 3.269 1.00 0.00 C ATOM 570 O ASN A 35 -4.947 11.721 3.662 1.00 0.00 O ATOM 571 CB ASN A 35 -6.937 9.251 3.936 1.00 0.00 C ATOM 572 CG ASN A 35 -7.182 10.250 5.047 1.00 0.00 C ATOM 573 OD1 ASN A 35 -6.243 10.767 5.647 1.00 0.00 O ATOM 574 ND2 ASN A 35 -8.452 10.522 5.325 1.00 0.00 N ATOM 0 H ASN A 35 -5.872 7.853 2.188 1.00 0.00 H new ATOM 0 HA ASN A 35 -6.773 10.581 2.257 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.894 8.879 3.571 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.394 8.395 4.337 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.681 11.186 6.065 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -9.198 10.067 4.799 1.00 0.00 H new ATOM 581 N ALA A 36 -3.763 9.857 3.246 1.00 0.00 N ATOM 582 CA ALA A 36 -2.497 10.428 3.694 1.00 0.00 C ATOM 583 C ALA A 36 -2.117 11.638 2.849 1.00 0.00 C ATOM 584 O ALA A 36 -2.278 11.630 1.630 1.00 0.00 O ATOM 585 CB ALA A 36 -1.394 9.382 3.637 1.00 0.00 C ATOM 0 H ALA A 36 -3.699 8.892 2.922 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.620 10.755 4.726 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.456 9.823 3.974 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.654 8.544 4.284 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.281 9.028 2.612 1.00 0.00 H new ATOM 591 N LYS A 37 -1.607 12.676 3.503 1.00 0.00 N ATOM 592 CA LYS A 37 -1.198 13.884 2.802 1.00 0.00 C ATOM 593 C LYS A 37 0.277 13.819 2.408 1.00 0.00 C ATOM 594 O LYS A 37 0.868 14.835 2.028 1.00 0.00 O ATOM 595 CB LYS A 37 -1.461 15.115 3.678 1.00 0.00 C ATOM 596 CG LYS A 37 -2.326 16.168 3.004 1.00 0.00 C ATOM 597 CD LYS A 37 -1.534 16.966 1.980 1.00 0.00 C ATOM 598 CE LYS A 37 -2.447 17.793 1.087 1.00 0.00 C ATOM 599 NZ LYS A 37 -2.353 17.382 -0.337 1.00 0.00 N ATOM 0 H LYS A 37 -1.468 12.704 4.513 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.787 13.964 1.888 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.944 14.797 4.602 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.507 15.564 3.956 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.173 15.687 2.516 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -2.733 16.843 3.757 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.833 17.624 2.494 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -0.942 16.286 1.367 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.477 17.690 1.427 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.186 18.847 1.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -2.990 17.970 -0.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.375 17.505 -0.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.627 16.383 -0.429 1.00 0.00 H new ATOM 613 N THR A 38 0.864 12.631 2.504 1.00 0.00 N ATOM 614 CA THR A 38 2.265 12.446 2.157 1.00 0.00 C ATOM 615 C THR A 38 2.438 11.199 1.298 1.00 0.00 C ATOM 616 O THR A 38 1.812 10.169 1.548 1.00 0.00 O ATOM 617 CB THR A 38 3.122 12.334 3.417 1.00 0.00 C ATOM 618 OG1 THR A 38 2.823 11.145 4.125 1.00 0.00 O ATOM 619 CG2 THR A 38 2.940 13.488 4.365 1.00 0.00 C ATOM 0 H THR A 38 0.391 11.784 2.819 1.00 0.00 H new ATOM 0 HA THR A 38 2.593 13.316 1.588 1.00 0.00 H new ATOM 0 HB THR A 38 4.153 12.333 3.064 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.384 11.092 4.927 1.00 0.00 H new ATOM 0 HG21 THR A 38 3.577 13.346 5.238 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.213 14.417 3.864 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.898 13.539 4.681 1.00 0.00 H new ATOM 627 N VAL A 39 3.287 11.302 0.284 1.00 0.00 N ATOM 628 CA VAL A 39 3.539 10.183 -0.616 1.00 0.00 C ATOM 629 C VAL A 39 4.275 9.054 0.098 1.00 0.00 C ATOM 630 O VAL A 39 4.015 7.877 -0.149 1.00 0.00 O ATOM 631 CB VAL A 39 4.354 10.629 -1.844 1.00 0.00 C ATOM 632 CG1 VAL A 39 3.574 11.654 -2.655 1.00 0.00 C ATOM 633 CG2 VAL A 39 5.704 11.191 -1.421 1.00 0.00 C ATOM 0 H VAL A 39 3.813 12.148 0.064 1.00 0.00 H new ATOM 0 HA VAL A 39 2.568 9.816 -0.949 1.00 0.00 H new ATOM 0 HB VAL A 39 4.533 9.757 -2.473 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.164 11.959 -3.519 1.00 0.00 H new ATOM 0 HG12 VAL A 39 2.636 11.213 -2.993 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.363 12.525 -2.034 1.00 0.00 H new ATOM 0 HG21 VAL A 39 6.263 11.500 -2.305 1.00 0.00 H new ATOM 0 HG22 VAL A 39 5.552 12.051 -0.769 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.266 10.425 -0.886 1.00 0.00 H new ATOM 643 N GLU A 40 5.195 9.418 0.985 1.00 0.00 N ATOM 644 CA GLU A 40 5.967 8.433 1.733 1.00 0.00 C ATOM 645 C GLU A 40 5.054 7.552 2.582 1.00 0.00 C ATOM 646 O GLU A 40 5.398 6.416 2.903 1.00 0.00 O ATOM 647 CB GLU A 40 6.993 9.131 2.627 1.00 0.00 C ATOM 648 CG GLU A 40 7.747 10.251 1.929 1.00 0.00 C ATOM 649 CD GLU A 40 9.143 10.450 2.487 1.00 0.00 C ATOM 650 OE1 GLU A 40 9.316 10.307 3.716 1.00 0.00 O ATOM 651 OE2 GLU A 40 10.062 10.750 1.696 1.00 0.00 O ATOM 0 H GLU A 40 5.424 10.388 1.203 1.00 0.00 H new ATOM 0 HA GLU A 40 6.489 7.799 1.016 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.484 9.537 3.501 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.709 8.393 2.989 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.814 10.030 0.864 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.184 11.179 2.028 1.00 0.00 H new ATOM 658 N GLY A 41 3.889 8.083 2.937 1.00 0.00 N ATOM 659 CA GLY A 41 2.944 7.332 3.742 1.00 0.00 C ATOM 660 C GLY A 41 2.204 6.292 2.931 1.00 0.00 C ATOM 661 O GLY A 41 1.979 5.172 3.392 1.00 0.00 O ATOM 0 H GLY A 41 3.582 9.021 2.681 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.474 6.843 4.560 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.226 8.018 4.192 1.00 0.00 H new ATOM 665 N VAL A 42 1.825 6.670 1.719 1.00 0.00 N ATOM 666 CA VAL A 42 1.102 5.776 0.829 1.00 0.00 C ATOM 667 C VAL A 42 2.018 4.701 0.255 1.00 0.00 C ATOM 668 O VAL A 42 1.672 3.520 0.245 1.00 0.00 O ATOM 669 CB VAL A 42 0.459 6.554 -0.333 1.00 0.00 C ATOM 670 CG1 VAL A 42 -0.191 5.601 -1.324 1.00 0.00 C ATOM 671 CG2 VAL A 42 -0.551 7.562 0.194 1.00 0.00 C ATOM 0 H VAL A 42 2.008 7.595 1.329 1.00 0.00 H new ATOM 0 HA VAL A 42 0.322 5.300 1.424 1.00 0.00 H new ATOM 0 HB VAL A 42 1.243 7.101 -0.857 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.639 6.172 -2.137 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.563 4.926 -1.728 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.964 5.022 -0.818 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.995 8.103 -0.642 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.333 7.039 0.745 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.049 8.267 0.857 1.00 0.00 H new ATOM 681 N TRP A 43 3.181 5.115 -0.234 1.00 0.00 N ATOM 682 CA TRP A 43 4.127 4.175 -0.822 1.00 0.00 C ATOM 683 C TRP A 43 4.613 3.174 0.223 1.00 0.00 C ATOM 684 O TRP A 43 4.931 2.031 -0.102 1.00 0.00 O ATOM 685 CB TRP A 43 5.313 4.921 -1.447 1.00 0.00 C ATOM 686 CG TRP A 43 5.000 5.508 -2.796 1.00 0.00 C ATOM 687 CD1 TRP A 43 4.421 6.722 -3.051 1.00 0.00 C ATOM 688 CD2 TRP A 43 5.235 4.904 -4.076 1.00 0.00 C ATOM 689 NE1 TRP A 43 4.302 6.913 -4.405 1.00 0.00 N ATOM 690 CE2 TRP A 43 4.790 5.815 -5.056 1.00 0.00 C ATOM 691 CE3 TRP A 43 5.782 3.687 -4.492 1.00 0.00 C ATOM 692 CZ2 TRP A 43 4.876 5.547 -6.419 1.00 0.00 C ATOM 693 CZ3 TRP A 43 5.864 3.421 -5.847 1.00 0.00 C ATOM 694 CH2 TRP A 43 5.413 4.349 -6.795 1.00 0.00 C ATOM 0 H TRP A 43 3.490 6.087 -0.235 1.00 0.00 H new ATOM 0 HA TRP A 43 3.614 3.624 -1.611 1.00 0.00 H new ATOM 0 HB2 TRP A 43 5.627 5.719 -0.775 1.00 0.00 H new ATOM 0 HB3 TRP A 43 6.155 4.236 -1.543 1.00 0.00 H new ATOM 0 HD1 TRP A 43 4.104 7.427 -2.297 1.00 0.00 H new ATOM 0 HE1 TRP A 43 3.912 7.742 -4.854 1.00 0.00 H new ATOM 0 HE3 TRP A 43 6.134 2.967 -3.768 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 4.531 6.260 -7.153 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 6.283 2.483 -6.180 1.00 0.00 H new ATOM 0 HH2 TRP A 43 5.492 4.112 -7.846 1.00 0.00 H new ATOM 705 N THR A 44 4.654 3.604 1.482 1.00 0.00 N ATOM 706 CA THR A 44 5.083 2.728 2.567 1.00 0.00 C ATOM 707 C THR A 44 4.041 1.641 2.806 1.00 0.00 C ATOM 708 O THR A 44 4.345 0.447 2.755 1.00 0.00 O ATOM 709 CB THR A 44 5.305 3.527 3.852 1.00 0.00 C ATOM 710 OG1 THR A 44 4.303 4.517 4.008 1.00 0.00 O ATOM 711 CG2 THR A 44 6.650 4.220 3.901 1.00 0.00 C ATOM 0 H THR A 44 4.397 4.547 1.774 1.00 0.00 H new ATOM 0 HA THR A 44 6.026 2.263 2.280 1.00 0.00 H new ATOM 0 HB THR A 44 5.263 2.795 4.658 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.600 5.352 3.590 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.743 4.769 4.838 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.445 3.477 3.835 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.732 4.914 3.065 1.00 0.00 H new ATOM 719 N LEU A 45 2.803 2.066 3.051 1.00 0.00 N ATOM 720 CA LEU A 45 1.709 1.131 3.279 1.00 0.00 C ATOM 721 C LEU A 45 1.594 0.162 2.109 1.00 0.00 C ATOM 722 O LEU A 45 1.309 -1.022 2.293 1.00 0.00 O ATOM 723 CB LEU A 45 0.392 1.888 3.473 1.00 0.00 C ATOM 724 CG LEU A 45 -0.196 1.812 4.883 1.00 0.00 C ATOM 725 CD1 LEU A 45 -0.545 0.376 5.241 1.00 0.00 C ATOM 726 CD2 LEU A 45 0.770 2.402 5.899 1.00 0.00 C ATOM 0 H LEU A 45 2.535 3.049 3.096 1.00 0.00 H new ATOM 0 HA LEU A 45 1.919 0.563 4.185 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.552 2.936 3.218 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.342 1.497 2.768 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.113 2.400 4.904 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.962 0.343 6.248 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.278 -0.008 4.532 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.355 -0.238 5.201 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.333 2.339 6.896 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.706 1.845 5.877 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.963 3.446 5.653 1.00 0.00 H new ATOM 737 N LYS A 46 1.836 0.674 0.906 1.00 0.00 N ATOM 738 CA LYS A 46 1.778 -0.142 -0.298 1.00 0.00 C ATOM 739 C LYS A 46 2.818 -1.251 -0.227 1.00 0.00 C ATOM 740 O LYS A 46 2.559 -2.389 -0.618 1.00 0.00 O ATOM 741 CB LYS A 46 2.015 0.717 -1.541 1.00 0.00 C ATOM 742 CG LYS A 46 1.948 -0.067 -2.842 1.00 0.00 C ATOM 743 CD LYS A 46 3.117 0.263 -3.755 1.00 0.00 C ATOM 744 CE LYS A 46 4.215 -0.786 -3.662 1.00 0.00 C ATOM 745 NZ LYS A 46 4.603 -1.306 -5.002 1.00 0.00 N ATOM 0 H LYS A 46 2.074 1.652 0.741 1.00 0.00 H new ATOM 0 HA LYS A 46 0.785 -0.587 -0.367 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.273 1.515 -1.568 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.992 1.193 -1.463 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.946 -1.135 -2.624 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.012 0.156 -3.354 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.766 0.333 -4.785 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.522 1.239 -3.489 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.089 -0.354 -3.174 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.876 -1.612 -3.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.989 -2.267 -4.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.767 -1.331 -5.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.324 -0.684 -5.420 1.00 0.00 H new ATOM 759 N ASP A 47 3.996 -0.910 0.289 1.00 0.00 N ATOM 760 CA ASP A 47 5.076 -1.877 0.429 1.00 0.00 C ATOM 761 C ASP A 47 4.629 -3.039 1.306 1.00 0.00 C ATOM 762 O ASP A 47 5.038 -4.182 1.101 1.00 0.00 O ATOM 763 CB ASP A 47 6.315 -1.211 1.032 1.00 0.00 C ATOM 764 CG ASP A 47 6.834 -0.074 0.174 1.00 0.00 C ATOM 765 OD1 ASP A 47 6.952 -0.261 -1.054 1.00 0.00 O ATOM 766 OD2 ASP A 47 7.121 1.006 0.732 1.00 0.00 O ATOM 0 H ASP A 47 4.225 0.029 0.616 1.00 0.00 H new ATOM 0 HA ASP A 47 5.331 -2.257 -0.560 1.00 0.00 H new ATOM 0 HB2 ASP A 47 6.074 -0.832 2.025 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.100 -1.956 1.157 1.00 0.00 H new ATOM 771 N GLU A 48 3.770 -2.738 2.276 1.00 0.00 N ATOM 772 CA GLU A 48 3.251 -3.758 3.178 1.00 0.00 C ATOM 773 C GLU A 48 2.292 -4.683 2.432 1.00 0.00 C ATOM 774 O GLU A 48 2.208 -5.875 2.725 1.00 0.00 O ATOM 775 CB GLU A 48 2.536 -3.108 4.365 1.00 0.00 C ATOM 776 CG GLU A 48 3.420 -2.944 5.590 1.00 0.00 C ATOM 777 CD GLU A 48 2.871 -1.928 6.573 1.00 0.00 C ATOM 778 OE1 GLU A 48 2.601 -0.783 6.155 1.00 0.00 O ATOM 779 OE2 GLU A 48 2.710 -2.280 7.761 1.00 0.00 O ATOM 0 H GLU A 48 3.420 -1.797 2.456 1.00 0.00 H new ATOM 0 HA GLU A 48 4.088 -4.346 3.554 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.163 -2.130 4.063 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.668 -3.712 4.631 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.525 -3.907 6.089 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.418 -2.637 5.275 1.00 0.00 H new ATOM 786 N ILE A 49 1.580 -4.119 1.462 1.00 0.00 N ATOM 787 CA ILE A 49 0.628 -4.878 0.657 1.00 0.00 C ATOM 788 C ILE A 49 1.341 -5.940 -0.174 1.00 0.00 C ATOM 789 O ILE A 49 0.878 -7.075 -0.276 1.00 0.00 O ATOM 790 CB ILE A 49 -0.165 -3.954 -0.288 1.00 0.00 C ATOM 791 CG1 ILE A 49 -0.653 -2.709 0.459 1.00 0.00 C ATOM 792 CG2 ILE A 49 -1.336 -4.704 -0.899 1.00 0.00 C ATOM 793 CD1 ILE A 49 -1.432 -3.022 1.719 1.00 0.00 C ATOM 0 H ILE A 49 1.645 -3.132 1.213 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.062 -5.361 1.349 1.00 0.00 H new ATOM 0 HB ILE A 49 0.497 -3.631 -1.092 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.207 -2.091 0.718 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.281 -2.118 -0.208 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.887 -4.039 -1.564 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.965 -5.558 -1.466 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.997 -5.054 -0.106 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.745 -2.092 2.194 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.312 -3.614 1.465 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.801 -3.586 2.406 1.00 0.00 H new ATOM 805 N LYS A 50 2.468 -5.560 -0.769 1.00 0.00 N ATOM 806 CA LYS A 50 3.244 -6.476 -1.597 1.00 0.00 C ATOM 807 C LYS A 50 3.901 -7.565 -0.753 1.00 0.00 C ATOM 808 O LYS A 50 4.082 -8.692 -1.211 1.00 0.00 O ATOM 809 CB LYS A 50 4.312 -5.708 -2.381 1.00 0.00 C ATOM 810 CG LYS A 50 5.035 -6.556 -3.416 1.00 0.00 C ATOM 811 CD LYS A 50 5.508 -5.715 -4.591 1.00 0.00 C ATOM 812 CE LYS A 50 6.252 -6.557 -5.615 1.00 0.00 C ATOM 813 NZ LYS A 50 6.758 -5.733 -6.748 1.00 0.00 N ATOM 0 H LYS A 50 2.864 -4.623 -0.693 1.00 0.00 H new ATOM 0 HA LYS A 50 2.559 -6.955 -2.297 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.844 -4.860 -2.881 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.043 -5.302 -1.681 1.00 0.00 H new ATOM 0 HG2 LYS A 50 5.890 -7.049 -2.952 1.00 0.00 H new ATOM 0 HG3 LYS A 50 4.370 -7.342 -3.774 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.651 -5.236 -5.065 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.159 -4.919 -4.231 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.088 -7.062 -5.131 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.589 -7.333 -5.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.259 -6.343 -7.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.958 -5.271 -7.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.410 -5.009 -6.386 1.00 0.00 H new ATOM 827 N THR A 51 4.256 -7.224 0.482 1.00 0.00 N ATOM 828 CA THR A 51 4.891 -8.180 1.383 1.00 0.00 C ATOM 829 C THR A 51 3.854 -9.114 1.996 1.00 0.00 C ATOM 830 O THR A 51 4.076 -10.320 2.106 1.00 0.00 O ATOM 831 CB THR A 51 5.651 -7.444 2.487 1.00 0.00 C ATOM 832 OG1 THR A 51 5.162 -6.129 2.646 1.00 0.00 O ATOM 833 CG2 THR A 51 7.142 -7.351 2.228 1.00 0.00 C ATOM 0 H THR A 51 4.115 -6.296 0.881 1.00 0.00 H new ATOM 0 HA THR A 51 5.596 -8.777 0.805 1.00 0.00 H new ATOM 0 HB THR A 51 5.489 -8.035 3.389 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.502 -5.564 1.921 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.621 -6.817 3.049 1.00 0.00 H new ATOM 0 HG22 THR A 51 7.562 -8.354 2.153 1.00 0.00 H new ATOM 0 HG23 THR A 51 7.317 -6.814 1.295 1.00 0.00 H new ATOM 841 N PHE A 52 2.718 -8.548 2.392 1.00 0.00 N ATOM 842 CA PHE A 52 1.642 -9.330 2.991 1.00 0.00 C ATOM 843 C PHE A 52 0.662 -9.822 1.925 1.00 0.00 C ATOM 844 O PHE A 52 -0.385 -10.388 2.236 1.00 0.00 O ATOM 845 CB PHE A 52 0.940 -8.495 4.076 1.00 0.00 C ATOM 846 CG PHE A 52 -0.483 -8.113 3.771 1.00 0.00 C ATOM 847 CD1 PHE A 52 -1.518 -8.966 4.074 1.00 0.00 C ATOM 848 CD2 PHE A 52 -0.775 -6.894 3.179 1.00 0.00 C ATOM 849 CE1 PHE A 52 -2.827 -8.625 3.799 1.00 0.00 C ATOM 850 CE2 PHE A 52 -2.081 -6.539 2.896 1.00 0.00 C ATOM 851 CZ PHE A 52 -3.110 -7.410 3.209 1.00 0.00 C ATOM 0 H PHE A 52 2.519 -7.551 2.309 1.00 0.00 H new ATOM 0 HA PHE A 52 2.063 -10.218 3.463 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.956 -9.056 5.010 1.00 0.00 H new ATOM 0 HB3 PHE A 52 1.516 -7.585 4.241 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.303 -9.919 4.535 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.027 -6.213 2.936 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.627 -9.307 4.045 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.297 -5.587 2.433 1.00 0.00 H new ATOM 0 HZ PHE A 52 -4.133 -7.139 2.992 1.00 0.00 H new ATOM 861 N THR A 53 1.022 -9.617 0.666 1.00 0.00 N ATOM 862 CA THR A 53 0.190 -10.046 -0.454 1.00 0.00 C ATOM 863 C THR A 53 -0.126 -11.538 -0.354 1.00 0.00 C ATOM 864 O THR A 53 -1.285 -11.929 -0.215 1.00 0.00 O ATOM 865 CB THR A 53 0.895 -9.728 -1.785 1.00 0.00 C ATOM 866 OG1 THR A 53 0.493 -8.460 -2.270 1.00 0.00 O ATOM 867 CG2 THR A 53 0.634 -10.737 -2.888 1.00 0.00 C ATOM 0 H THR A 53 1.889 -9.154 0.392 1.00 0.00 H new ATOM 0 HA THR A 53 -0.753 -9.500 -0.417 1.00 0.00 H new ATOM 0 HB THR A 53 1.958 -9.756 -1.547 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.457 -7.822 -1.527 1.00 0.00 H new ATOM 0 HG21 THR A 53 1.168 -10.437 -3.790 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.981 -11.720 -2.571 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.435 -10.780 -3.097 1.00 0.00 H new ATOM 875 N VAL A 54 0.913 -12.364 -0.430 1.00 0.00 N ATOM 876 CA VAL A 54 0.748 -13.811 -0.350 1.00 0.00 C ATOM 877 C VAL A 54 0.028 -14.213 0.924 1.00 0.00 C ATOM 878 O VAL A 54 0.072 -13.504 1.931 1.00 0.00 O ATOM 879 CB VAL A 54 2.106 -14.534 -0.407 1.00 0.00 C ATOM 880 CG1 VAL A 54 2.709 -14.431 -1.799 1.00 0.00 C ATOM 881 CG2 VAL A 54 3.057 -13.969 0.637 1.00 0.00 C ATOM 0 H VAL A 54 1.878 -12.056 -0.547 1.00 0.00 H new ATOM 0 HA VAL A 54 0.148 -14.107 -1.211 1.00 0.00 H new ATOM 0 HB VAL A 54 1.944 -15.589 -0.184 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.668 -14.948 -1.819 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.035 -14.889 -2.522 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.857 -13.382 -2.055 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.011 -14.493 0.581 1.00 0.00 H new ATOM 0 HG22 VAL A 54 3.214 -12.907 0.449 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.628 -14.102 1.630 1.00 0.00 H new ATOM 891 N THR A 55 -0.644 -15.360 0.880 1.00 0.00 N ATOM 892 CA THR A 55 -1.385 -15.865 2.037 1.00 0.00 C ATOM 893 C THR A 55 -0.721 -17.116 2.604 1.00 0.00 C ATOM 894 O THR A 55 -0.336 -18.016 1.856 1.00 0.00 O ATOM 895 CB THR A 55 -2.826 -16.167 1.646 1.00 0.00 C ATOM 896 OG1 THR A 55 -3.448 -15.027 1.081 1.00 0.00 O ATOM 897 CG2 THR A 55 -3.675 -16.621 2.813 1.00 0.00 C ATOM 0 H THR A 55 -0.692 -15.959 0.056 1.00 0.00 H new ATOM 0 HA THR A 55 -1.380 -15.095 2.809 1.00 0.00 H new ATOM 0 HB THR A 55 -2.763 -16.978 0.920 1.00 0.00 H new ATOM 0 HG1 THR A 55 -4.371 -15.246 0.836 1.00 0.00 H new ATOM 0 HG21 THR A 55 -4.690 -16.820 2.469 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.251 -17.530 3.239 1.00 0.00 H new ATOM 0 HG23 THR A 55 -3.696 -15.840 3.573 1.00 0.00 H new ATOM 905 N GLU A 56 -0.585 -17.161 3.922 1.00 0.00 N ATOM 906 CA GLU A 56 0.029 -18.299 4.584 1.00 0.00 C ATOM 907 C GLU A 56 1.466 -18.495 4.108 1.00 0.00 C ATOM 908 O GLU A 56 2.172 -19.350 4.685 1.00 0.00 O ATOM 909 CB GLU A 56 -0.785 -19.570 4.326 1.00 0.00 C ATOM 910 CG GLU A 56 -1.914 -19.784 5.321 1.00 0.00 C ATOM 911 CD GLU A 56 -1.535 -20.727 6.443 1.00 0.00 C ATOM 912 OE1 GLU A 56 -0.673 -21.596 6.216 1.00 0.00 O ATOM 913 OE2 GLU A 56 -2.111 -20.591 7.544 1.00 0.00 O ATOM 914 OXT GLU A 56 1.869 -17.792 3.162 1.00 0.00 O ATOM 0 H GLU A 56 -0.893 -16.421 4.553 1.00 0.00 H new ATOM 0 HA GLU A 56 0.044 -18.099 5.655 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.202 -19.526 3.320 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.117 -20.431 4.356 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.207 -18.823 5.743 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.784 -20.181 4.797 1.00 0.00 H new TER 921 GLU A 56