USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 419 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: X 1 MET N :NH3+ -178:sc= -2.65 (180deg=-1.25) USER MOD Set 1.2: X 2 GLN :FLIP amide:sc= -5.48! C(o=-15!,f=-9.6!) USER MOD Set 1.3: X 50 LYS NZ :NH3+ 166:sc= -1.43 (180deg=0) USER MOD Single : X 1 MET CE :methyl -159:sc= -0.0811 (180deg=-0.84) USER MOD Single : X 3 TYR OH : rot -69:sc= -5.79! USER MOD Single : X 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 8 ASN : amide:sc= -0.127 X(o=-0.13,f=-0.46) USER MOD Single : X 10 LYS NZ :NH3+ 160:sc= -0.221 (180deg=-0.851) USER MOD Single : X 11 THR OG1 : rot 71:sc= 1.04 USER MOD Single : X 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 16 THR OG1 : rot 20:sc= 0.00332 USER MOD Single : X 17 THR OG1 : rot 180:sc= 0 USER MOD Single : X 18 THR OG1 : rot 180:sc= -0.0581 USER MOD Single : X 25 THR OG1 : rot 4:sc= -0.509 USER MOD Single : X 28 LYS NZ :NH3+ -167:sc= 0.513 (180deg=0.432) USER MOD Single : X 31 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0257) USER MOD Single : X 32 GLN :FLIP amide:sc=-0.000674 F(o=-1!,f=-0.00067) USER MOD Single : X 33 TYR OH : rot -110:sc= -0.817 USER MOD Single : X 35 ASN : amide:sc= -1.74! C(o=-1.7!,f=-5.8!) USER MOD Single : X 37 ASN :FLIP amide:sc= -1.67! C(o=-3.8!,f=-1.7!) USER MOD Single : X 44 THR OG1 : rot 180:sc= 0 USER MOD Single : X 45 TYR OH : rot 180:sc= 0 USER MOD Single : X 49 THR OG1 : rot 180:sc= -0.0339 USER MOD Single : X 51 THR OG1 : rot 69:sc= 1.17 USER MOD Single : X 53 THR OG1 : rot 20:sc= -0.588 USER MOD Single : X 55 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET X 1 12.875 5.991 15.265 1.00 0.00 N ATOM 2 CA MET X 1 14.036 5.119 15.601 1.00 0.00 C ATOM 3 C MET X 1 14.123 3.985 14.590 1.00 0.00 C ATOM 4 O MET X 1 15.100 3.238 14.565 1.00 0.00 O ATOM 5 CB MET X 1 13.851 4.549 17.009 1.00 0.00 C ATOM 6 CG MET X 1 12.640 3.616 17.028 1.00 0.00 C ATOM 7 SD MET X 1 12.107 3.359 18.739 1.00 0.00 S ATOM 8 CE MET X 1 13.173 1.942 19.098 1.00 0.00 C ATOM 0 H1 MET X 1 12.833 6.786 15.934 1.00 0.00 H new ATOM 0 H2 MET X 1 12.985 6.358 14.298 1.00 0.00 H new ATOM 0 H3 MET X 1 11.996 5.439 15.328 1.00 0.00 H new ATOM 0 HA MET X 1 14.957 5.701 15.568 1.00 0.00 H new ATOM 0 HB2 MET X 1 14.746 4.006 17.313 1.00 0.00 H new ATOM 0 HB3 MET X 1 13.710 5.359 17.725 1.00 0.00 H new ATOM 0 HG2 MET X 1 11.827 4.045 16.443 1.00 0.00 H new ATOM 0 HG3 MET X 1 12.895 2.662 16.567 1.00 0.00 H new ATOM 0 HE1 MET X 1 12.767 1.386 19.943 1.00 0.00 H new ATOM 0 HE2 MET X 1 13.220 1.291 18.225 1.00 0.00 H new ATOM 0 HE3 MET X 1 14.175 2.293 19.343 1.00 0.00 H new ATOM 19 N GLN X 2 13.092 3.855 13.763 1.00 0.00 N ATOM 20 CA GLN X 2 13.064 2.799 12.760 1.00 0.00 C ATOM 21 C GLN X 2 13.653 3.287 11.441 1.00 0.00 C ATOM 22 O GLN X 2 13.206 4.284 10.875 1.00 0.00 O ATOM 23 CB GLN X 2 11.627 2.319 12.537 1.00 0.00 C ATOM 24 CG GLN X 2 10.898 3.279 11.593 1.00 0.00 C ATOM 25 CD GLN X 2 11.052 4.715 12.082 1.00 0.00 C ATOM 26 OE1 GLN X 2 10.734 5.012 13.313 1.00 0.00 O flip ATOM 27 NE2 GLN X 2 11.470 5.590 11.324 1.00 0.00 N flip ATOM 0 H GLN X 2 12.272 4.462 13.767 1.00 0.00 H new ATOM 0 HA GLN X 2 13.669 1.969 13.126 1.00 0.00 H new ATOM 0 HB2 GLN X 2 11.631 1.314 12.115 1.00 0.00 H new ATOM 0 HB3 GLN X 2 11.101 2.263 13.490 1.00 0.00 H new ATOM 0 HG2 GLN X 2 11.301 3.185 10.585 1.00 0.00 H new ATOM 0 HG3 GLN X 2 9.841 3.016 11.540 1.00 0.00 H new ATOM 0 HE21 GLN X 2 11.718 5.356 10.363 1.00 0.00 H new ATOM 0 HE22 GLN X 2 11.568 6.549 11.657 1.00 0.00 H new ATOM 36 N TYR X 3 14.657 2.566 10.957 1.00 0.00 N ATOM 37 CA TYR X 3 15.306 2.913 9.702 1.00 0.00 C ATOM 38 C TYR X 3 15.123 1.791 8.698 1.00 0.00 C ATOM 39 O TYR X 3 15.071 0.618 9.066 1.00 0.00 O ATOM 40 CB TYR X 3 16.797 3.157 9.924 1.00 0.00 C ATOM 41 CG TYR X 3 17.055 3.257 11.406 1.00 0.00 C ATOM 42 CD1 TYR X 3 16.894 2.129 12.217 1.00 0.00 C ATOM 43 CD2 TYR X 3 17.439 4.478 11.969 1.00 0.00 C ATOM 44 CE1 TYR X 3 17.118 2.221 13.594 1.00 0.00 C ATOM 45 CE2 TYR X 3 17.666 4.570 13.346 1.00 0.00 C ATOM 46 CZ TYR X 3 17.505 3.442 14.156 1.00 0.00 C ATOM 47 OH TYR X 3 17.722 3.533 15.515 1.00 0.00 O ATOM 0 H TYR X 3 15.038 1.738 11.415 1.00 0.00 H new ATOM 0 HA TYR X 3 14.850 3.825 9.317 1.00 0.00 H new ATOM 0 HB2 TYR X 3 17.381 2.344 9.493 1.00 0.00 H new ATOM 0 HB3 TYR X 3 17.109 4.074 9.423 1.00 0.00 H new ATOM 0 HD1 TYR X 3 16.597 1.187 11.780 1.00 0.00 H new ATOM 0 HD2 TYR X 3 17.560 5.349 11.342 1.00 0.00 H new ATOM 0 HE1 TYR X 3 16.993 1.351 14.222 1.00 0.00 H new ATOM 0 HE2 TYR X 3 17.965 5.511 13.783 1.00 0.00 H new ATOM 0 HH TYR X 3 16.869 3.446 15.989 1.00 0.00 H new ATOM 57 N LYS X 4 15.022 2.157 7.431 1.00 0.00 N ATOM 58 CA LYS X 4 14.841 1.165 6.385 1.00 0.00 C ATOM 59 C LYS X 4 16.005 1.207 5.410 1.00 0.00 C ATOM 60 O LYS X 4 16.535 2.273 5.100 1.00 0.00 O ATOM 61 CB LYS X 4 13.529 1.418 5.641 1.00 0.00 C ATOM 62 CG LYS X 4 13.719 2.569 4.654 1.00 0.00 C ATOM 63 CD LYS X 4 12.392 3.307 4.461 1.00 0.00 C ATOM 64 CE LYS X 4 11.329 2.328 3.956 1.00 0.00 C ATOM 65 NZ LYS X 4 10.272 3.079 3.219 1.00 0.00 N ATOM 0 H LYS X 4 15.062 3.122 7.104 1.00 0.00 H new ATOM 0 HA LYS X 4 14.804 0.178 6.845 1.00 0.00 H new ATOM 0 HB2 LYS X 4 13.219 0.517 5.111 1.00 0.00 H new ATOM 0 HB3 LYS X 4 12.737 1.659 6.350 1.00 0.00 H new ATOM 0 HG2 LYS X 4 14.478 3.257 5.025 1.00 0.00 H new ATOM 0 HG3 LYS X 4 14.076 2.186 3.698 1.00 0.00 H new ATOM 0 HD2 LYS X 4 12.072 3.753 5.403 1.00 0.00 H new ATOM 0 HD3 LYS X 4 12.518 4.122 3.749 1.00 0.00 H new ATOM 0 HE2 LYS X 4 11.785 1.585 3.302 1.00 0.00 H new ATOM 0 HE3 LYS X 4 10.889 1.788 4.794 1.00 0.00 H new ATOM 0 HZ1 LYS X 4 9.549 2.414 2.876 1.00 0.00 H new ATOM 0 HZ2 LYS X 4 9.830 3.772 3.856 1.00 0.00 H new ATOM 0 HZ3 LYS X 4 10.698 3.575 2.410 1.00 0.00 H new ATOM 79 N LEU X 5 16.397 0.037 4.933 1.00 0.00 N ATOM 80 CA LEU X 5 17.502 -0.064 3.997 1.00 0.00 C ATOM 81 C LEU X 5 17.005 -0.548 2.636 1.00 0.00 C ATOM 82 O LEU X 5 16.296 -1.550 2.543 1.00 0.00 O ATOM 83 CB LEU X 5 18.546 -1.042 4.545 1.00 0.00 C ATOM 84 CG LEU X 5 19.689 -1.222 3.537 1.00 0.00 C ATOM 85 CD1 LEU X 5 20.670 -0.055 3.659 1.00 0.00 C ATOM 86 CD2 LEU X 5 20.423 -2.533 3.833 1.00 0.00 C ATOM 0 H LEU X 5 15.966 -0.854 5.179 1.00 0.00 H new ATOM 0 HA LEU X 5 17.952 0.921 3.873 1.00 0.00 H new ATOM 0 HB2 LEU X 5 18.941 -0.670 5.490 1.00 0.00 H new ATOM 0 HB3 LEU X 5 18.079 -2.005 4.751 1.00 0.00 H new ATOM 0 HG LEU X 5 19.281 -1.248 2.527 1.00 0.00 H new ATOM 0 HD11 LEU X 5 21.481 -0.185 2.942 1.00 0.00 H new ATOM 0 HD12 LEU X 5 20.150 0.881 3.453 1.00 0.00 H new ATOM 0 HD13 LEU X 5 21.079 -0.028 4.669 1.00 0.00 H new ATOM 0 HD21 LEU X 5 21.236 -2.664 3.119 1.00 0.00 H new ATOM 0 HD22 LEU X 5 20.830 -2.502 4.844 1.00 0.00 H new ATOM 0 HD23 LEU X 5 19.727 -3.367 3.747 1.00 0.00 H new ATOM 98 N ILE X 6 17.396 0.164 1.584 1.00 0.00 N ATOM 99 CA ILE X 6 17.000 -0.203 0.227 1.00 0.00 C ATOM 100 C ILE X 6 18.222 -0.564 -0.603 1.00 0.00 C ATOM 101 O ILE X 6 19.227 0.146 -0.587 1.00 0.00 O ATOM 102 CB ILE X 6 16.258 0.948 -0.448 1.00 0.00 C ATOM 103 CG1 ILE X 6 14.791 0.913 -0.027 1.00 0.00 C ATOM 104 CG2 ILE X 6 16.351 0.798 -1.968 1.00 0.00 C ATOM 105 CD1 ILE X 6 14.673 1.321 1.440 1.00 0.00 C ATOM 0 H ILE X 6 17.984 0.995 1.643 1.00 0.00 H new ATOM 0 HA ILE X 6 16.338 -1.066 0.293 1.00 0.00 H new ATOM 0 HB ILE X 6 16.707 1.896 -0.150 1.00 0.00 H new ATOM 0 HG12 ILE X 6 14.206 1.588 -0.652 1.00 0.00 H new ATOM 0 HG13 ILE X 6 14.384 -0.088 -0.171 1.00 0.00 H new ATOM 0 HG21 ILE X 6 15.821 1.621 -2.448 1.00 0.00 H new ATOM 0 HG22 ILE X 6 17.398 0.815 -2.272 1.00 0.00 H new ATOM 0 HG23 ILE X 6 15.901 -0.148 -2.268 1.00 0.00 H new ATOM 0 HD11 ILE X 6 13.626 1.296 1.741 1.00 0.00 H new ATOM 0 HD12 ILE X 6 15.245 0.628 2.057 1.00 0.00 H new ATOM 0 HD13 ILE X 6 15.064 2.330 1.570 1.00 0.00 H new ATOM 117 N LEU X 7 18.125 -1.663 -1.337 1.00 0.00 N ATOM 118 CA LEU X 7 19.225 -2.099 -2.181 1.00 0.00 C ATOM 119 C LEU X 7 18.857 -1.944 -3.654 1.00 0.00 C ATOM 120 O LEU X 7 17.802 -2.401 -4.094 1.00 0.00 O ATOM 121 CB LEU X 7 19.562 -3.561 -1.884 1.00 0.00 C ATOM 122 CG LEU X 7 19.819 -3.730 -0.385 1.00 0.00 C ATOM 123 CD1 LEU X 7 20.820 -2.672 0.082 1.00 0.00 C ATOM 124 CD2 LEU X 7 18.505 -3.557 0.382 1.00 0.00 C ATOM 0 H LEU X 7 17.302 -2.265 -1.365 1.00 0.00 H new ATOM 0 HA LEU X 7 20.095 -1.478 -1.968 1.00 0.00 H new ATOM 0 HB2 LEU X 7 18.741 -4.206 -2.198 1.00 0.00 H new ATOM 0 HB3 LEU X 7 20.442 -3.865 -2.451 1.00 0.00 H new ATOM 0 HG LEU X 7 20.223 -4.725 -0.197 1.00 0.00 H new ATOM 0 HD11 LEU X 7 21.004 -2.791 1.150 1.00 0.00 H new ATOM 0 HD12 LEU X 7 21.756 -2.791 -0.463 1.00 0.00 H new ATOM 0 HD13 LEU X 7 20.414 -1.678 -0.107 1.00 0.00 H new ATOM 0 HD21 LEU X 7 18.688 -3.677 1.450 1.00 0.00 H new ATOM 0 HD22 LEU X 7 18.102 -2.562 0.193 1.00 0.00 H new ATOM 0 HD23 LEU X 7 17.788 -4.308 0.050 1.00 0.00 H new ATOM 136 N ASN X 8 19.737 -1.289 -4.407 1.00 0.00 N ATOM 137 CA ASN X 8 19.504 -1.068 -5.827 1.00 0.00 C ATOM 138 C ASN X 8 20.757 -1.398 -6.627 1.00 0.00 C ATOM 139 O ASN X 8 21.663 -2.071 -6.133 1.00 0.00 O ATOM 140 CB ASN X 8 19.107 0.391 -6.073 1.00 0.00 C ATOM 141 CG ASN X 8 17.590 0.533 -6.026 1.00 0.00 C ATOM 142 OD1 ASN X 8 16.873 -0.230 -6.673 1.00 0.00 O ATOM 143 ND2 ASN X 8 17.055 1.470 -5.291 1.00 0.00 N ATOM 0 H ASN X 8 20.614 -0.904 -4.057 1.00 0.00 H new ATOM 0 HA ASN X 8 18.694 -1.721 -6.151 1.00 0.00 H new ATOM 0 HB2 ASN X 8 19.564 1.033 -5.320 1.00 0.00 H new ATOM 0 HB3 ASN X 8 19.482 0.720 -7.042 1.00 0.00 H new ATOM 0 HD21 ASN X 8 16.041 1.571 -5.252 1.00 0.00 H new ATOM 0 HD22 ASN X 8 17.651 2.101 -4.756 1.00 0.00 H new ATOM 150 N GLY X 9 20.801 -0.924 -7.865 1.00 0.00 N ATOM 151 CA GLY X 9 21.947 -1.175 -8.730 1.00 0.00 C ATOM 152 C GLY X 9 21.493 -1.609 -10.120 1.00 0.00 C ATOM 153 O GLY X 9 20.313 -1.510 -10.458 1.00 0.00 O ATOM 0 H GLY X 9 20.061 -0.366 -8.292 1.00 0.00 H new ATOM 0 HA2 GLY X 9 22.555 -0.273 -8.806 1.00 0.00 H new ATOM 0 HA3 GLY X 9 22.577 -1.948 -8.291 1.00 0.00 H new ATOM 157 N LYS X 10 22.440 -2.082 -10.921 1.00 0.00 N ATOM 158 CA LYS X 10 22.137 -2.522 -12.277 1.00 0.00 C ATOM 159 C LYS X 10 21.367 -3.841 -12.260 1.00 0.00 C ATOM 160 O LYS X 10 20.265 -3.934 -12.801 1.00 0.00 O ATOM 161 CB LYS X 10 23.440 -2.694 -13.062 1.00 0.00 C ATOM 162 CG LYS X 10 24.626 -2.442 -12.128 1.00 0.00 C ATOM 163 CD LYS X 10 25.933 -2.573 -12.911 1.00 0.00 C ATOM 164 CE LYS X 10 27.111 -2.218 -12.000 1.00 0.00 C ATOM 165 NZ LYS X 10 26.887 -2.801 -10.648 1.00 0.00 N ATOM 0 H LYS X 10 23.421 -2.171 -10.656 1.00 0.00 H new ATOM 0 HA LYS X 10 21.515 -1.767 -12.757 1.00 0.00 H new ATOM 0 HB2 LYS X 10 23.497 -3.699 -13.479 1.00 0.00 H new ATOM 0 HB3 LYS X 10 23.468 -1.999 -13.901 1.00 0.00 H new ATOM 0 HG2 LYS X 10 24.551 -1.447 -11.689 1.00 0.00 H new ATOM 0 HG3 LYS X 10 24.611 -3.155 -11.304 1.00 0.00 H new ATOM 0 HD2 LYS X 10 26.044 -3.590 -13.287 1.00 0.00 H new ATOM 0 HD3 LYS X 10 25.918 -1.912 -13.778 1.00 0.00 H new ATOM 0 HE2 LYS X 10 28.040 -2.600 -12.423 1.00 0.00 H new ATOM 0 HE3 LYS X 10 27.215 -1.135 -11.928 1.00 0.00 H new ATOM 0 HZ1 LYS X 10 27.794 -2.863 -10.142 1.00 0.00 H new ATOM 0 HZ2 LYS X 10 26.233 -2.195 -10.113 1.00 0.00 H new ATOM 0 HZ3 LYS X 10 26.478 -3.753 -10.744 1.00 0.00 H new ATOM 179 N THR X 11 21.955 -4.856 -11.635 1.00 0.00 N ATOM 180 CA THR X 11 21.315 -6.166 -11.552 1.00 0.00 C ATOM 181 C THR X 11 21.148 -6.589 -10.100 1.00 0.00 C ATOM 182 O THR X 11 21.038 -7.779 -9.802 1.00 0.00 O ATOM 183 CB THR X 11 22.164 -7.208 -12.284 1.00 0.00 C ATOM 184 OG1 THR X 11 22.900 -7.967 -11.334 1.00 0.00 O ATOM 185 CG2 THR X 11 23.128 -6.505 -13.238 1.00 0.00 C ATOM 0 H THR X 11 22.867 -4.799 -11.181 1.00 0.00 H new ATOM 0 HA THR X 11 20.332 -6.097 -12.018 1.00 0.00 H new ATOM 0 HB THR X 11 21.514 -7.872 -12.855 1.00 0.00 H new ATOM 0 HG1 THR X 11 22.288 -8.547 -10.834 1.00 0.00 H new ATOM 0 HG21 THR X 11 23.732 -7.248 -13.758 1.00 0.00 H new ATOM 0 HG22 THR X 11 22.561 -5.924 -13.966 1.00 0.00 H new ATOM 0 HG23 THR X 11 23.780 -5.840 -12.672 1.00 0.00 H new ATOM 193 N LEU X 12 21.141 -5.615 -9.199 1.00 0.00 N ATOM 194 CA LEU X 12 21.002 -5.914 -7.780 1.00 0.00 C ATOM 195 C LEU X 12 19.969 -5.009 -7.116 1.00 0.00 C ATOM 196 O LEU X 12 20.186 -3.806 -6.969 1.00 0.00 O ATOM 197 CB LEU X 12 22.348 -5.735 -7.083 1.00 0.00 C ATOM 198 CG LEU X 12 22.274 -6.331 -5.681 1.00 0.00 C ATOM 199 CD1 LEU X 12 22.626 -7.819 -5.743 1.00 0.00 C ATOM 200 CD2 LEU X 12 23.268 -5.604 -4.773 1.00 0.00 C ATOM 0 H LEU X 12 21.229 -4.623 -9.421 1.00 0.00 H new ATOM 0 HA LEU X 12 20.664 -6.946 -7.687 1.00 0.00 H new ATOM 0 HB2 LEU X 12 23.135 -6.224 -7.657 1.00 0.00 H new ATOM 0 HB3 LEU X 12 22.604 -4.677 -7.028 1.00 0.00 H new ATOM 0 HG LEU X 12 21.266 -6.215 -5.283 1.00 0.00 H new ATOM 0 HD11 LEU X 12 22.574 -8.247 -4.742 1.00 0.00 H new ATOM 0 HD12 LEU X 12 21.920 -8.333 -6.395 1.00 0.00 H new ATOM 0 HD13 LEU X 12 23.636 -7.938 -6.136 1.00 0.00 H new ATOM 0 HD21 LEU X 12 23.220 -6.026 -3.769 1.00 0.00 H new ATOM 0 HD22 LEU X 12 24.277 -5.723 -5.169 1.00 0.00 H new ATOM 0 HD23 LEU X 12 23.017 -4.544 -4.734 1.00 0.00 H new ATOM 212 N LYS X 13 18.855 -5.602 -6.699 1.00 0.00 N ATOM 213 CA LYS X 13 17.805 -4.845 -6.029 1.00 0.00 C ATOM 214 C LYS X 13 17.214 -5.655 -4.887 1.00 0.00 C ATOM 215 O LYS X 13 16.982 -6.856 -5.016 1.00 0.00 O ATOM 216 CB LYS X 13 16.688 -4.485 -7.006 1.00 0.00 C ATOM 217 CG LYS X 13 15.417 -4.158 -6.213 1.00 0.00 C ATOM 218 CD LYS X 13 14.563 -3.169 -7.006 1.00 0.00 C ATOM 219 CE LYS X 13 14.149 -3.803 -8.336 1.00 0.00 C ATOM 220 NZ LYS X 13 12.969 -3.081 -8.887 1.00 0.00 N ATOM 0 H LYS X 13 18.657 -6.596 -6.812 1.00 0.00 H new ATOM 0 HA LYS X 13 18.253 -3.931 -5.639 1.00 0.00 H new ATOM 0 HB2 LYS X 13 16.982 -3.630 -7.615 1.00 0.00 H new ATOM 0 HB3 LYS X 13 16.503 -5.315 -7.688 1.00 0.00 H new ATOM 0 HG2 LYS X 13 14.852 -5.070 -6.019 1.00 0.00 H new ATOM 0 HG3 LYS X 13 15.679 -3.733 -5.244 1.00 0.00 H new ATOM 0 HD2 LYS X 13 13.679 -2.894 -6.431 1.00 0.00 H new ATOM 0 HD3 LYS X 13 15.124 -2.252 -7.187 1.00 0.00 H new ATOM 0 HE2 LYS X 13 14.977 -3.761 -9.044 1.00 0.00 H new ATOM 0 HE3 LYS X 13 13.908 -4.856 -8.189 1.00 0.00 H new ATOM 0 HZ1 LYS X 13 12.689 -3.513 -9.791 1.00 0.00 H new ATOM 0 HZ2 LYS X 13 12.179 -3.143 -8.214 1.00 0.00 H new ATOM 0 HZ3 LYS X 13 13.214 -2.082 -9.042 1.00 0.00 H new ATOM 234 N GLY X 14 16.961 -4.984 -3.773 1.00 0.00 N ATOM 235 CA GLY X 14 16.385 -5.639 -2.612 1.00 0.00 C ATOM 236 C GLY X 14 15.823 -4.606 -1.648 1.00 0.00 C ATOM 237 O GLY X 14 16.062 -3.408 -1.797 1.00 0.00 O ATOM 0 H GLY X 14 17.146 -3.988 -3.650 1.00 0.00 H new ATOM 0 HA2 GLY X 14 15.595 -6.321 -2.926 1.00 0.00 H new ATOM 0 HA3 GLY X 14 17.144 -6.239 -2.111 1.00 0.00 H new ATOM 241 N GLU X 15 15.084 -5.078 -0.652 1.00 0.00 N ATOM 242 CA GLU X 15 14.504 -4.188 0.343 1.00 0.00 C ATOM 243 C GLU X 15 14.608 -4.811 1.728 1.00 0.00 C ATOM 244 O GLU X 15 14.364 -6.006 1.901 1.00 0.00 O ATOM 245 CB GLU X 15 13.037 -3.914 0.015 1.00 0.00 C ATOM 246 CG GLU X 15 12.647 -2.535 0.551 1.00 0.00 C ATOM 247 CD GLU X 15 11.155 -2.499 0.863 1.00 0.00 C ATOM 248 OE1 GLU X 15 10.765 -3.059 1.874 1.00 0.00 O ATOM 249 OE2 GLU X 15 10.422 -1.909 0.086 1.00 0.00 O ATOM 0 H GLU X 15 14.873 -6.066 -0.513 1.00 0.00 H new ATOM 0 HA GLU X 15 15.055 -3.248 0.330 1.00 0.00 H new ATOM 0 HB2 GLU X 15 12.880 -3.956 -1.063 1.00 0.00 H new ATOM 0 HB3 GLU X 15 12.404 -4.682 0.459 1.00 0.00 H new ATOM 0 HG2 GLU X 15 13.220 -2.310 1.450 1.00 0.00 H new ATOM 0 HG3 GLU X 15 12.892 -1.768 -0.184 1.00 0.00 H new ATOM 256 N THR X 16 14.980 -4.001 2.708 1.00 0.00 N ATOM 257 CA THR X 16 15.123 -4.490 4.071 1.00 0.00 C ATOM 258 C THR X 16 14.568 -3.481 5.069 1.00 0.00 C ATOM 259 O THR X 16 14.466 -2.290 4.776 1.00 0.00 O ATOM 260 CB THR X 16 16.601 -4.742 4.376 1.00 0.00 C ATOM 261 OG1 THR X 16 16.976 -6.016 3.871 1.00 0.00 O ATOM 262 CG2 THR X 16 16.826 -4.704 5.888 1.00 0.00 C ATOM 0 H THR X 16 15.187 -3.010 2.587 1.00 0.00 H new ATOM 0 HA THR X 16 14.561 -5.420 4.163 1.00 0.00 H new ATOM 0 HB THR X 16 17.207 -3.970 3.902 1.00 0.00 H new ATOM 0 HG1 THR X 16 16.333 -6.300 3.188 1.00 0.00 H new ATOM 0 HG21 THR X 16 17.879 -4.884 6.104 1.00 0.00 H new ATOM 0 HG22 THR X 16 16.538 -3.726 6.274 1.00 0.00 H new ATOM 0 HG23 THR X 16 16.221 -5.475 6.365 1.00 0.00 H new ATOM 270 N THR X 17 14.227 -3.967 6.256 1.00 0.00 N ATOM 271 CA THR X 17 13.700 -3.106 7.303 1.00 0.00 C ATOM 272 C THR X 17 14.283 -3.519 8.647 1.00 0.00 C ATOM 273 O THR X 17 14.368 -4.708 8.956 1.00 0.00 O ATOM 274 CB THR X 17 12.173 -3.194 7.352 1.00 0.00 C ATOM 275 OG1 THR X 17 11.696 -2.489 8.490 1.00 0.00 O ATOM 276 CG2 THR X 17 11.740 -4.659 7.439 1.00 0.00 C ATOM 0 H THR X 17 14.306 -4.950 6.516 1.00 0.00 H new ATOM 0 HA THR X 17 13.982 -2.076 7.085 1.00 0.00 H new ATOM 0 HB THR X 17 11.757 -2.751 6.447 1.00 0.00 H new ATOM 0 HG1 THR X 17 10.718 -2.543 8.522 1.00 0.00 H new ATOM 0 HG21 THR X 17 10.652 -4.715 7.474 1.00 0.00 H new ATOM 0 HG22 THR X 17 12.104 -5.198 6.564 1.00 0.00 H new ATOM 0 HG23 THR X 17 12.155 -5.108 8.341 1.00 0.00 H new ATOM 284 N THR X 18 14.698 -2.543 9.439 1.00 0.00 N ATOM 285 CA THR X 18 15.280 -2.845 10.737 1.00 0.00 C ATOM 286 C THR X 18 14.889 -1.800 11.769 1.00 0.00 C ATOM 287 O THR X 18 14.661 -0.636 11.443 1.00 0.00 O ATOM 288 CB THR X 18 16.803 -2.901 10.624 1.00 0.00 C ATOM 289 OG1 THR X 18 17.164 -3.318 9.313 1.00 0.00 O ATOM 290 CG2 THR X 18 17.354 -3.894 11.645 1.00 0.00 C ATOM 0 H THR X 18 14.644 -1.550 9.211 1.00 0.00 H new ATOM 0 HA THR X 18 14.898 -3.813 11.061 1.00 0.00 H new ATOM 0 HB THR X 18 17.219 -1.913 10.819 1.00 0.00 H new ATOM 0 HG1 THR X 18 18.141 -3.353 9.238 1.00 0.00 H new ATOM 0 HG21 THR X 18 18.440 -3.934 11.564 1.00 0.00 H new ATOM 0 HG22 THR X 18 17.076 -3.575 12.650 1.00 0.00 H new ATOM 0 HG23 THR X 18 16.939 -4.883 11.451 1.00 0.00 H new ATOM 298 N GLU X 19 14.825 -2.232 13.021 1.00 0.00 N ATOM 299 CA GLU X 19 14.474 -1.339 14.110 1.00 0.00 C ATOM 300 C GLU X 19 15.554 -1.381 15.181 1.00 0.00 C ATOM 301 O GLU X 19 15.966 -2.455 15.618 1.00 0.00 O ATOM 302 CB GLU X 19 13.136 -1.752 14.714 1.00 0.00 C ATOM 303 CG GLU X 19 12.314 -0.502 15.011 1.00 0.00 C ATOM 304 CD GLU X 19 10.999 -0.893 15.676 1.00 0.00 C ATOM 305 OE1 GLU X 19 10.972 -1.920 16.333 1.00 0.00 O ATOM 306 OE2 GLU X 19 10.038 -0.158 15.519 1.00 0.00 O ATOM 0 H GLU X 19 15.012 -3.194 13.305 1.00 0.00 H new ATOM 0 HA GLU X 19 14.392 -0.324 13.722 1.00 0.00 H new ATOM 0 HB2 GLU X 19 12.597 -2.401 14.024 1.00 0.00 H new ATOM 0 HB3 GLU X 19 13.297 -2.322 15.629 1.00 0.00 H new ATOM 0 HG2 GLU X 19 12.876 0.168 15.662 1.00 0.00 H new ATOM 0 HG3 GLU X 19 12.117 0.042 14.088 1.00 0.00 H new ATOM 313 N ALA X 20 16.020 -0.210 15.588 1.00 0.00 N ATOM 314 CA ALA X 20 17.065 -0.138 16.595 1.00 0.00 C ATOM 315 C ALA X 20 16.796 0.975 17.592 1.00 0.00 C ATOM 316 O ALA X 20 15.827 1.725 17.468 1.00 0.00 O ATOM 317 CB ALA X 20 18.414 0.114 15.924 1.00 0.00 C ATOM 0 H ALA X 20 15.695 0.693 15.241 1.00 0.00 H new ATOM 0 HA ALA X 20 17.080 -1.089 17.128 1.00 0.00 H new ATOM 0 HB1 ALA X 20 19.194 0.167 16.684 1.00 0.00 H new ATOM 0 HB2 ALA X 20 18.635 -0.700 15.234 1.00 0.00 H new ATOM 0 HB3 ALA X 20 18.377 1.055 15.375 1.00 0.00 H new ATOM 323 N VAL X 21 17.681 1.081 18.572 1.00 0.00 N ATOM 324 CA VAL X 21 17.569 2.113 19.587 1.00 0.00 C ATOM 325 C VAL X 21 17.879 3.464 18.972 1.00 0.00 C ATOM 326 O VAL X 21 17.251 4.473 19.296 1.00 0.00 O ATOM 327 CB VAL X 21 18.563 1.839 20.711 1.00 0.00 C ATOM 328 CG1 VAL X 21 17.905 0.955 21.773 1.00 0.00 C ATOM 329 CG2 VAL X 21 19.789 1.122 20.142 1.00 0.00 C ATOM 0 H VAL X 21 18.485 0.463 18.684 1.00 0.00 H new ATOM 0 HA VAL X 21 16.555 2.113 19.987 1.00 0.00 H new ATOM 0 HB VAL X 21 18.868 2.783 21.163 1.00 0.00 H new ATOM 0 HG11 VAL X 21 18.616 0.760 22.576 1.00 0.00 H new ATOM 0 HG12 VAL X 21 17.030 1.464 22.179 1.00 0.00 H new ATOM 0 HG13 VAL X 21 17.599 0.011 21.322 1.00 0.00 H new ATOM 0 HG21 VAL X 21 20.500 0.925 20.944 1.00 0.00 H new ATOM 0 HG22 VAL X 21 19.482 0.179 19.690 1.00 0.00 H new ATOM 0 HG23 VAL X 21 20.259 1.750 19.386 1.00 0.00 H new ATOM 339 N ASP X 22 18.859 3.471 18.085 1.00 0.00 N ATOM 340 CA ASP X 22 19.267 4.693 17.420 1.00 0.00 C ATOM 341 C ASP X 22 19.935 4.368 16.098 1.00 0.00 C ATOM 342 O ASP X 22 20.186 3.203 15.787 1.00 0.00 O ATOM 343 CB ASP X 22 20.240 5.469 18.306 1.00 0.00 C ATOM 344 CG ASP X 22 21.548 4.695 18.441 1.00 0.00 C ATOM 345 OD1 ASP X 22 22.045 4.230 17.430 1.00 0.00 O ATOM 346 OD2 ASP X 22 22.031 4.577 19.556 1.00 0.00 O ATOM 0 H ASP X 22 19.386 2.643 17.809 1.00 0.00 H new ATOM 0 HA ASP X 22 18.383 5.303 17.235 1.00 0.00 H new ATOM 0 HB2 ASP X 22 20.432 6.452 17.877 1.00 0.00 H new ATOM 0 HB3 ASP X 22 19.800 5.631 19.290 1.00 0.00 H new ATOM 351 N ALA X 23 20.222 5.404 15.320 1.00 0.00 N ATOM 352 CA ALA X 23 20.863 5.219 14.026 1.00 0.00 C ATOM 353 C ALA X 23 22.325 4.840 14.205 1.00 0.00 C ATOM 354 O ALA X 23 22.891 4.111 13.389 1.00 0.00 O ATOM 355 CB ALA X 23 20.759 6.503 13.204 1.00 0.00 C ATOM 0 H ALA X 23 20.022 6.375 15.561 1.00 0.00 H new ATOM 0 HA ALA X 23 20.354 4.412 13.499 1.00 0.00 H new ATOM 0 HB1 ALA X 23 21.241 6.356 12.237 1.00 0.00 H new ATOM 0 HB2 ALA X 23 19.709 6.753 13.052 1.00 0.00 H new ATOM 0 HB3 ALA X 23 21.253 7.316 13.736 1.00 0.00 H new ATOM 361 N ALA X 24 22.933 5.328 15.280 1.00 0.00 N ATOM 362 CA ALA X 24 24.329 5.015 15.546 1.00 0.00 C ATOM 363 C ALA X 24 24.498 3.504 15.600 1.00 0.00 C ATOM 364 O ALA X 24 25.506 2.962 15.149 1.00 0.00 O ATOM 365 CB ALA X 24 24.768 5.637 16.874 1.00 0.00 C ATOM 0 H ALA X 24 22.489 5.933 15.971 1.00 0.00 H new ATOM 0 HA ALA X 24 24.950 5.426 14.750 1.00 0.00 H new ATOM 0 HB1 ALA X 24 25.814 5.395 17.061 1.00 0.00 H new ATOM 0 HB2 ALA X 24 24.649 6.719 16.826 1.00 0.00 H new ATOM 0 HB3 ALA X 24 24.154 5.240 17.682 1.00 0.00 H new ATOM 371 N THR X 25 23.489 2.829 16.139 1.00 0.00 N ATOM 372 CA THR X 25 23.515 1.378 16.228 1.00 0.00 C ATOM 373 C THR X 25 23.184 0.764 14.872 1.00 0.00 C ATOM 374 O THR X 25 23.815 -0.201 14.440 1.00 0.00 O ATOM 375 CB THR X 25 22.505 0.897 17.273 1.00 0.00 C ATOM 376 OG1 THR X 25 21.279 1.593 17.099 1.00 0.00 O ATOM 377 CG2 THR X 25 23.055 1.166 18.674 1.00 0.00 C ATOM 0 H THR X 25 22.648 3.263 16.519 1.00 0.00 H new ATOM 0 HA THR X 25 24.515 1.064 16.527 1.00 0.00 H new ATOM 0 HB THR X 25 22.334 -0.173 17.152 1.00 0.00 H new ATOM 0 HG1 THR X 25 21.341 2.173 16.312 1.00 0.00 H new ATOM 0 HG21 THR X 25 22.336 0.824 19.419 1.00 0.00 H new ATOM 0 HG22 THR X 25 23.996 0.631 18.805 1.00 0.00 H new ATOM 0 HG23 THR X 25 23.226 2.235 18.799 1.00 0.00 H new ATOM 385 N ALA X 26 22.180 1.333 14.210 1.00 0.00 N ATOM 386 CA ALA X 26 21.753 0.842 12.906 1.00 0.00 C ATOM 387 C ALA X 26 22.856 1.017 11.866 1.00 0.00 C ATOM 388 O ALA X 26 23.057 0.151 11.014 1.00 0.00 O ATOM 389 CB ALA X 26 20.501 1.593 12.453 1.00 0.00 C ATOM 0 H ALA X 26 21.649 2.132 14.555 1.00 0.00 H new ATOM 0 HA ALA X 26 21.531 -0.221 13.000 1.00 0.00 H new ATOM 0 HB1 ALA X 26 20.187 1.221 11.478 1.00 0.00 H new ATOM 0 HB2 ALA X 26 19.701 1.436 13.176 1.00 0.00 H new ATOM 0 HB3 ALA X 26 20.721 2.658 12.382 1.00 0.00 H new ATOM 395 N GLU X 27 23.566 2.139 11.931 1.00 0.00 N ATOM 396 CA GLU X 27 24.637 2.406 10.978 1.00 0.00 C ATOM 397 C GLU X 27 25.644 1.267 10.973 1.00 0.00 C ATOM 398 O GLU X 27 26.062 0.803 9.916 1.00 0.00 O ATOM 399 CB GLU X 27 25.341 3.718 11.338 1.00 0.00 C ATOM 400 CG GLU X 27 26.551 3.441 12.235 1.00 0.00 C ATOM 401 CD GLU X 27 27.143 4.757 12.730 1.00 0.00 C ATOM 402 OE1 GLU X 27 26.911 5.766 12.086 1.00 0.00 O ATOM 403 OE2 GLU X 27 27.819 4.735 13.745 1.00 0.00 O ATOM 0 H GLU X 27 23.421 2.871 12.626 1.00 0.00 H new ATOM 0 HA GLU X 27 24.201 2.491 9.983 1.00 0.00 H new ATOM 0 HB2 GLU X 27 25.662 4.228 10.430 1.00 0.00 H new ATOM 0 HB3 GLU X 27 24.646 4.384 11.849 1.00 0.00 H new ATOM 0 HG2 GLU X 27 26.252 2.825 13.083 1.00 0.00 H new ATOM 0 HG3 GLU X 27 27.304 2.879 11.682 1.00 0.00 H new ATOM 410 N LYS X 28 26.021 0.821 12.156 1.00 0.00 N ATOM 411 CA LYS X 28 26.976 -0.267 12.280 1.00 0.00 C ATOM 412 C LYS X 28 26.334 -1.603 11.907 1.00 0.00 C ATOM 413 O LYS X 28 26.974 -2.462 11.300 1.00 0.00 O ATOM 414 CB LYS X 28 27.494 -0.329 13.718 1.00 0.00 C ATOM 415 CG LYS X 28 29.025 -0.362 13.717 1.00 0.00 C ATOM 416 CD LYS X 28 29.568 1.063 13.591 1.00 0.00 C ATOM 417 CE LYS X 28 29.660 1.699 14.979 1.00 0.00 C ATOM 418 NZ LYS X 28 30.137 3.106 14.852 1.00 0.00 N ATOM 0 H LYS X 28 25.683 1.193 13.043 1.00 0.00 H new ATOM 0 HA LYS X 28 27.804 -0.081 11.596 1.00 0.00 H new ATOM 0 HB2 LYS X 28 27.140 0.536 14.279 1.00 0.00 H new ATOM 0 HB3 LYS X 28 27.102 -1.215 14.217 1.00 0.00 H new ATOM 0 HG2 LYS X 28 29.390 -0.821 14.636 1.00 0.00 H new ATOM 0 HG3 LYS X 28 29.385 -0.974 12.890 1.00 0.00 H new ATOM 0 HD2 LYS X 28 30.551 1.049 13.120 1.00 0.00 H new ATOM 0 HD3 LYS X 28 28.916 1.656 12.950 1.00 0.00 H new ATOM 0 HE2 LYS X 28 28.685 1.677 15.466 1.00 0.00 H new ATOM 0 HE3 LYS X 28 30.343 1.128 15.608 1.00 0.00 H new ATOM 0 HZ1 LYS X 28 30.409 3.466 15.789 1.00 0.00 H new ATOM 0 HZ2 LYS X 28 30.960 3.138 14.216 1.00 0.00 H new ATOM 0 HZ3 LYS X 28 29.375 3.697 14.462 1.00 0.00 H new ATOM 432 N VAL X 29 25.078 -1.783 12.304 1.00 0.00 N ATOM 433 CA VAL X 29 24.368 -3.032 12.040 1.00 0.00 C ATOM 434 C VAL X 29 24.006 -3.220 10.564 1.00 0.00 C ATOM 435 O VAL X 29 24.329 -4.253 9.979 1.00 0.00 O ATOM 436 CB VAL X 29 23.093 -3.084 12.882 1.00 0.00 C ATOM 437 CG1 VAL X 29 22.326 -4.370 12.571 1.00 0.00 C ATOM 438 CG2 VAL X 29 23.461 -3.057 14.367 1.00 0.00 C ATOM 0 H VAL X 29 24.532 -1.084 12.808 1.00 0.00 H new ATOM 0 HA VAL X 29 25.046 -3.842 12.310 1.00 0.00 H new ATOM 0 HB VAL X 29 22.468 -2.223 12.646 1.00 0.00 H new ATOM 0 HG11 VAL X 29 21.417 -4.406 13.172 1.00 0.00 H new ATOM 0 HG12 VAL X 29 22.063 -4.390 11.513 1.00 0.00 H new ATOM 0 HG13 VAL X 29 22.951 -5.232 12.806 1.00 0.00 H new ATOM 0 HG21 VAL X 29 22.552 -3.094 14.968 1.00 0.00 H new ATOM 0 HG22 VAL X 29 24.087 -3.918 14.602 1.00 0.00 H new ATOM 0 HG23 VAL X 29 24.006 -2.140 14.590 1.00 0.00 H new ATOM 448 N PHE X 30 23.308 -2.255 9.966 1.00 0.00 N ATOM 449 CA PHE X 30 22.902 -2.409 8.569 1.00 0.00 C ATOM 450 C PHE X 30 24.064 -2.212 7.598 1.00 0.00 C ATOM 451 O PHE X 30 24.077 -2.814 6.525 1.00 0.00 O ATOM 452 CB PHE X 30 21.731 -1.483 8.219 1.00 0.00 C ATOM 453 CG PHE X 30 22.158 -0.036 8.128 1.00 0.00 C ATOM 454 CD1 PHE X 30 22.983 0.400 7.081 1.00 0.00 C ATOM 455 CD2 PHE X 30 21.697 0.880 9.081 1.00 0.00 C ATOM 456 CE1 PHE X 30 23.347 1.749 6.993 1.00 0.00 C ATOM 457 CE2 PHE X 30 22.062 2.227 8.994 1.00 0.00 C ATOM 458 CZ PHE X 30 22.887 2.662 7.950 1.00 0.00 C ATOM 0 H PHE X 30 23.019 -1.383 10.410 1.00 0.00 H new ATOM 0 HA PHE X 30 22.564 -3.439 8.457 1.00 0.00 H new ATOM 0 HB2 PHE X 30 21.296 -1.793 7.269 1.00 0.00 H new ATOM 0 HB3 PHE X 30 20.951 -1.584 8.974 1.00 0.00 H new ATOM 0 HD1 PHE X 30 23.337 -0.304 6.343 1.00 0.00 H new ATOM 0 HD2 PHE X 30 21.058 0.546 9.885 1.00 0.00 H new ATOM 0 HE1 PHE X 30 23.982 2.085 6.187 1.00 0.00 H new ATOM 0 HE2 PHE X 30 21.708 2.931 9.732 1.00 0.00 H new ATOM 0 HZ PHE X 30 23.169 3.702 7.883 1.00 0.00 H new ATOM 468 N LYS X 31 25.039 -1.389 7.960 1.00 0.00 N ATOM 469 CA LYS X 31 26.175 -1.177 7.069 1.00 0.00 C ATOM 470 C LYS X 31 26.809 -2.522 6.740 1.00 0.00 C ATOM 471 O LYS X 31 27.380 -2.712 5.666 1.00 0.00 O ATOM 472 CB LYS X 31 27.219 -0.273 7.726 1.00 0.00 C ATOM 473 CG LYS X 31 26.773 1.187 7.615 1.00 0.00 C ATOM 474 CD LYS X 31 27.103 1.717 6.219 1.00 0.00 C ATOM 475 CE LYS X 31 27.053 3.245 6.229 1.00 0.00 C ATOM 476 NZ LYS X 31 28.328 3.780 6.785 1.00 0.00 N ATOM 0 H LYS X 31 25.070 -0.870 8.838 1.00 0.00 H new ATOM 0 HA LYS X 31 25.821 -0.694 6.158 1.00 0.00 H new ATOM 0 HB2 LYS X 31 27.345 -0.547 8.773 1.00 0.00 H new ATOM 0 HB3 LYS X 31 28.187 -0.406 7.243 1.00 0.00 H new ATOM 0 HG2 LYS X 31 25.702 1.266 7.802 1.00 0.00 H new ATOM 0 HG3 LYS X 31 27.274 1.790 8.372 1.00 0.00 H new ATOM 0 HD2 LYS X 31 28.093 1.377 5.914 1.00 0.00 H new ATOM 0 HD3 LYS X 31 26.393 1.324 5.492 1.00 0.00 H new ATOM 0 HE2 LYS X 31 26.899 3.621 5.218 1.00 0.00 H new ATOM 0 HE3 LYS X 31 26.210 3.588 6.829 1.00 0.00 H new ATOM 0 HZ1 LYS X 31 28.366 4.809 6.637 1.00 0.00 H new ATOM 0 HZ2 LYS X 31 28.376 3.574 7.803 1.00 0.00 H new ATOM 0 HZ3 LYS X 31 29.133 3.331 6.303 1.00 0.00 H new ATOM 490 N GLN X 32 26.691 -3.454 7.679 1.00 0.00 N ATOM 491 CA GLN X 32 27.241 -4.792 7.501 1.00 0.00 C ATOM 492 C GLN X 32 26.538 -5.518 6.360 1.00 0.00 C ATOM 493 O GLN X 32 27.135 -6.356 5.684 1.00 0.00 O ATOM 494 CB GLN X 32 27.087 -5.601 8.790 1.00 0.00 C ATOM 495 CG GLN X 32 27.324 -7.083 8.490 1.00 0.00 C ATOM 496 CD GLN X 32 27.482 -7.859 9.794 1.00 0.00 C ATOM 497 OE1 GLN X 32 27.212 -7.273 10.929 1.00 0.00 O flip ATOM 498 NE2 GLN X 32 27.860 -9.030 9.779 1.00 0.00 N flip ATOM 0 H GLN X 32 26.219 -3.307 8.571 1.00 0.00 H new ATOM 0 HA GLN X 32 28.299 -4.694 7.257 1.00 0.00 H new ATOM 0 HB2 GLN X 32 27.798 -5.252 9.539 1.00 0.00 H new ATOM 0 HB3 GLN X 32 26.090 -5.458 9.206 1.00 0.00 H new ATOM 0 HG2 GLN X 32 26.489 -7.485 7.917 1.00 0.00 H new ATOM 0 HG3 GLN X 32 28.217 -7.200 7.877 1.00 0.00 H new ATOM 0 HE21 GLN X 32 28.071 -9.487 8.892 1.00 0.00 H new ATOM 0 HE22 GLN X 32 27.963 -9.544 10.654 1.00 0.00 H new ATOM 507 N TYR X 33 25.264 -5.200 6.156 1.00 0.00 N ATOM 508 CA TYR X 33 24.488 -5.839 5.100 1.00 0.00 C ATOM 509 C TYR X 33 25.153 -5.618 3.746 1.00 0.00 C ATOM 510 O TYR X 33 25.284 -6.547 2.950 1.00 0.00 O ATOM 511 CB TYR X 33 23.071 -5.264 5.079 1.00 0.00 C ATOM 512 CG TYR X 33 22.363 -5.699 3.820 1.00 0.00 C ATOM 513 CD1 TYR X 33 22.688 -5.108 2.595 1.00 0.00 C ATOM 514 CD2 TYR X 33 21.376 -6.690 3.880 1.00 0.00 C ATOM 515 CE1 TYR X 33 22.027 -5.507 1.428 1.00 0.00 C ATOM 516 CE2 TYR X 33 20.715 -7.090 2.713 1.00 0.00 C ATOM 517 CZ TYR X 33 21.040 -6.498 1.487 1.00 0.00 C ATOM 518 OH TYR X 33 20.388 -6.892 0.336 1.00 0.00 O ATOM 0 H TYR X 33 24.750 -4.509 6.703 1.00 0.00 H new ATOM 0 HA TYR X 33 24.441 -6.910 5.298 1.00 0.00 H new ATOM 0 HB2 TYR X 33 22.518 -5.604 5.954 1.00 0.00 H new ATOM 0 HB3 TYR X 33 23.109 -4.176 5.128 1.00 0.00 H new ATOM 0 HD1 TYR X 33 23.449 -4.343 2.550 1.00 0.00 H new ATOM 0 HD2 TYR X 33 21.125 -7.146 4.826 1.00 0.00 H new ATOM 0 HE1 TYR X 33 22.278 -5.051 0.482 1.00 0.00 H new ATOM 0 HE2 TYR X 33 19.954 -7.855 2.758 1.00 0.00 H new ATOM 0 HH TYR X 33 19.458 -6.583 0.365 1.00 0.00 H new ATOM 528 N ALA X 34 25.586 -4.388 3.497 1.00 0.00 N ATOM 529 CA ALA X 34 26.251 -4.069 2.241 1.00 0.00 C ATOM 530 C ALA X 34 27.617 -4.740 2.192 1.00 0.00 C ATOM 531 O ALA X 34 27.986 -5.352 1.189 1.00 0.00 O ATOM 532 CB ALA X 34 26.420 -2.556 2.104 1.00 0.00 C ATOM 0 H ALA X 34 25.490 -3.603 4.141 1.00 0.00 H new ATOM 0 HA ALA X 34 25.638 -4.436 1.418 1.00 0.00 H new ATOM 0 HB1 ALA X 34 26.918 -2.329 1.161 1.00 0.00 H new ATOM 0 HB2 ALA X 34 25.441 -2.077 2.121 1.00 0.00 H new ATOM 0 HB3 ALA X 34 27.022 -2.181 2.932 1.00 0.00 H new ATOM 538 N ASN X 35 28.360 -4.630 3.290 1.00 0.00 N ATOM 539 CA ASN X 35 29.680 -5.239 3.369 1.00 0.00 C ATOM 540 C ASN X 35 29.563 -6.753 3.237 1.00 0.00 C ATOM 541 O ASN X 35 30.346 -7.387 2.531 1.00 0.00 O ATOM 542 CB ASN X 35 30.343 -4.887 4.702 1.00 0.00 C ATOM 543 CG ASN X 35 30.104 -3.418 5.032 1.00 0.00 C ATOM 544 OD1 ASN X 35 29.620 -2.661 4.189 1.00 0.00 O ATOM 545 ND2 ASN X 35 30.416 -2.966 6.216 1.00 0.00 N ATOM 0 H ASN X 35 28.072 -4.128 4.130 1.00 0.00 H new ATOM 0 HA ASN X 35 30.293 -4.854 2.554 1.00 0.00 H new ATOM 0 HB2 ASN X 35 29.940 -5.517 5.495 1.00 0.00 H new ATOM 0 HB3 ASN X 35 31.413 -5.087 4.649 1.00 0.00 H new ATOM 0 HD21 ASN X 35 30.259 -1.984 6.445 1.00 0.00 H new ATOM 0 HD22 ASN X 35 30.817 -3.594 6.913 1.00 0.00 H new ATOM 552 N ASP X 36 28.564 -7.323 3.909 1.00 0.00 N ATOM 553 CA ASP X 36 28.340 -8.761 3.844 1.00 0.00 C ATOM 554 C ASP X 36 27.933 -9.143 2.428 1.00 0.00 C ATOM 555 O ASP X 36 28.220 -10.244 1.955 1.00 0.00 O ATOM 556 CB ASP X 36 27.241 -9.169 4.826 1.00 0.00 C ATOM 557 CG ASP X 36 26.909 -10.648 4.654 1.00 0.00 C ATOM 558 OD1 ASP X 36 27.820 -11.454 4.748 1.00 0.00 O ATOM 559 OD2 ASP X 36 25.749 -10.952 4.430 1.00 0.00 O ATOM 0 H ASP X 36 27.904 -6.815 4.498 1.00 0.00 H new ATOM 0 HA ASP X 36 29.260 -9.280 4.113 1.00 0.00 H new ATOM 0 HB2 ASP X 36 27.566 -8.978 5.849 1.00 0.00 H new ATOM 0 HB3 ASP X 36 26.349 -8.566 4.657 1.00 0.00 H new ATOM 564 N ASN X 37 27.274 -8.208 1.755 1.00 0.00 N ATOM 565 CA ASN X 37 26.827 -8.399 0.382 1.00 0.00 C ATOM 566 C ASN X 37 27.618 -7.462 -0.523 1.00 0.00 C ATOM 567 O ASN X 37 27.038 -6.697 -1.293 1.00 0.00 O ATOM 568 CB ASN X 37 25.332 -8.100 0.264 1.00 0.00 C ATOM 569 CG ASN X 37 24.893 -8.197 -1.194 1.00 0.00 C ATOM 570 OD1 ASN X 37 25.670 -8.788 -2.061 1.00 0.00 O flip ATOM 571 ND2 ASN X 37 23.815 -7.724 -1.552 1.00 0.00 N flip ATOM 0 H ASN X 37 27.035 -7.297 2.146 1.00 0.00 H new ATOM 0 HA ASN X 37 26.994 -9.434 0.083 1.00 0.00 H new ATOM 0 HB2 ASN X 37 24.763 -8.804 0.871 1.00 0.00 H new ATOM 0 HB3 ASN X 37 25.121 -7.103 0.650 1.00 0.00 H new ATOM 0 HD21 ASN X 37 23.210 -7.263 -0.873 1.00 0.00 H new ATOM 0 HD22 ASN X 37 23.527 -7.793 -2.528 1.00 0.00 H new ATOM 578 N GLY X 38 28.945 -7.536 -0.412 1.00 0.00 N ATOM 579 CA GLY X 38 29.844 -6.699 -1.207 1.00 0.00 C ATOM 580 C GLY X 38 29.082 -5.705 -2.075 1.00 0.00 C ATOM 581 O GLY X 38 29.188 -5.733 -3.301 1.00 0.00 O ATOM 0 H GLY X 38 29.424 -8.172 0.226 1.00 0.00 H new ATOM 0 HA2 GLY X 38 30.517 -6.158 -0.542 1.00 0.00 H new ATOM 0 HA3 GLY X 38 30.463 -7.333 -1.841 1.00 0.00 H new ATOM 585 N VAL X 39 28.314 -4.826 -1.437 1.00 0.00 N ATOM 586 CA VAL X 39 27.547 -3.832 -2.177 1.00 0.00 C ATOM 587 C VAL X 39 28.314 -2.520 -2.270 1.00 0.00 C ATOM 588 O VAL X 39 28.466 -1.805 -1.280 1.00 0.00 O ATOM 589 CB VAL X 39 26.204 -3.583 -1.491 1.00 0.00 C ATOM 590 CG1 VAL X 39 25.536 -2.354 -2.112 1.00 0.00 C ATOM 591 CG2 VAL X 39 25.297 -4.803 -1.678 1.00 0.00 C ATOM 0 H VAL X 39 28.207 -4.782 -0.424 1.00 0.00 H new ATOM 0 HA VAL X 39 27.377 -4.217 -3.183 1.00 0.00 H new ATOM 0 HB VAL X 39 26.367 -3.413 -0.427 1.00 0.00 H new ATOM 0 HG11 VAL X 39 24.578 -2.175 -1.624 1.00 0.00 H new ATOM 0 HG12 VAL X 39 26.179 -1.484 -1.979 1.00 0.00 H new ATOM 0 HG13 VAL X 39 25.374 -2.526 -3.176 1.00 0.00 H new ATOM 0 HG21 VAL X 39 24.340 -4.623 -1.188 1.00 0.00 H new ATOM 0 HG22 VAL X 39 25.133 -4.975 -2.742 1.00 0.00 H new ATOM 0 HG23 VAL X 39 25.771 -5.680 -1.237 1.00 0.00 H new ATOM 601 N ASP X 40 28.781 -2.202 -3.471 1.00 0.00 N ATOM 602 CA ASP X 40 29.518 -0.966 -3.688 1.00 0.00 C ATOM 603 C ASP X 40 28.682 0.002 -4.515 1.00 0.00 C ATOM 604 O ASP X 40 28.476 -0.204 -5.711 1.00 0.00 O ATOM 605 CB ASP X 40 30.834 -1.257 -4.410 1.00 0.00 C ATOM 606 CG ASP X 40 31.766 -0.054 -4.302 1.00 0.00 C ATOM 607 OD1 ASP X 40 31.292 1.005 -3.925 1.00 0.00 O ATOM 608 OD2 ASP X 40 32.939 -0.208 -4.599 1.00 0.00 O ATOM 0 H ASP X 40 28.663 -2.779 -4.304 1.00 0.00 H new ATOM 0 HA ASP X 40 29.735 -0.514 -2.720 1.00 0.00 H new ATOM 0 HB2 ASP X 40 31.310 -2.136 -3.976 1.00 0.00 H new ATOM 0 HB3 ASP X 40 30.641 -1.485 -5.458 1.00 0.00 H new ATOM 613 N GLY X 41 28.199 1.057 -3.868 1.00 0.00 N ATOM 614 CA GLY X 41 27.380 2.048 -4.551 1.00 0.00 C ATOM 615 C GLY X 41 27.431 3.385 -3.832 1.00 0.00 C ATOM 616 O GLY X 41 28.417 3.709 -3.170 1.00 0.00 O ATOM 0 H GLY X 41 28.360 1.246 -2.879 1.00 0.00 H new ATOM 0 HA2 GLY X 41 27.729 2.169 -5.577 1.00 0.00 H new ATOM 0 HA3 GLY X 41 26.349 1.699 -4.604 1.00 0.00 H new ATOM 620 N GLU X 42 26.356 4.150 -3.951 1.00 0.00 N ATOM 621 CA GLU X 42 26.279 5.445 -3.295 1.00 0.00 C ATOM 622 C GLU X 42 25.427 5.326 -2.040 1.00 0.00 C ATOM 623 O GLU X 42 24.344 4.743 -2.063 1.00 0.00 O ATOM 624 CB GLU X 42 25.674 6.485 -4.239 1.00 0.00 C ATOM 625 CG GLU X 42 26.530 6.584 -5.504 1.00 0.00 C ATOM 626 CD GLU X 42 26.260 7.907 -6.213 1.00 0.00 C ATOM 627 OE1 GLU X 42 25.106 8.178 -6.500 1.00 0.00 O ATOM 628 OE2 GLU X 42 27.211 8.630 -6.459 1.00 0.00 O ATOM 0 H GLU X 42 25.530 3.898 -4.493 1.00 0.00 H new ATOM 0 HA GLU X 42 27.284 5.767 -3.024 1.00 0.00 H new ATOM 0 HB2 GLU X 42 24.653 6.206 -4.499 1.00 0.00 H new ATOM 0 HB3 GLU X 42 25.623 7.455 -3.744 1.00 0.00 H new ATOM 0 HG2 GLU X 42 27.586 6.509 -5.245 1.00 0.00 H new ATOM 0 HG3 GLU X 42 26.306 5.752 -6.171 1.00 0.00 H new ATOM 635 N TRP X 43 25.929 5.878 -0.947 1.00 0.00 N ATOM 636 CA TRP X 43 25.207 5.822 0.311 1.00 0.00 C ATOM 637 C TRP X 43 24.771 7.214 0.748 1.00 0.00 C ATOM 638 O TRP X 43 25.487 8.194 0.545 1.00 0.00 O ATOM 639 CB TRP X 43 26.085 5.208 1.398 1.00 0.00 C ATOM 640 CG TRP X 43 25.244 4.330 2.259 1.00 0.00 C ATOM 641 CD1 TRP X 43 24.191 4.746 2.996 1.00 0.00 C ATOM 642 CD2 TRP X 43 25.355 2.898 2.474 1.00 0.00 C ATOM 643 NE1 TRP X 43 23.651 3.657 3.655 1.00 0.00 N ATOM 644 CE2 TRP X 43 24.335 2.495 3.365 1.00 0.00 C ATOM 645 CE3 TRP X 43 26.236 1.923 1.987 1.00 0.00 C ATOM 646 CZ2 TRP X 43 24.194 1.165 3.760 1.00 0.00 C ATOM 647 CZ3 TRP X 43 26.099 0.587 2.379 1.00 0.00 C ATOM 648 CH2 TRP X 43 25.080 0.206 3.264 1.00 0.00 C ATOM 0 H TRP X 43 26.824 6.365 -0.906 1.00 0.00 H new ATOM 0 HA TRP X 43 24.322 5.203 0.162 1.00 0.00 H new ATOM 0 HB2 TRP X 43 26.894 4.632 0.949 1.00 0.00 H new ATOM 0 HB3 TRP X 43 26.547 5.993 1.997 1.00 0.00 H new ATOM 0 HD1 TRP X 43 23.830 5.762 3.060 1.00 0.00 H new ATOM 0 HE1 TRP X 43 22.846 3.707 4.279 1.00 0.00 H new ATOM 0 HE3 TRP X 43 27.025 2.204 1.305 1.00 0.00 H new ATOM 0 HZ2 TRP X 43 23.407 0.879 4.443 1.00 0.00 H new ATOM 0 HZ3 TRP X 43 26.783 -0.156 1.997 1.00 0.00 H new ATOM 0 HH2 TRP X 43 24.981 -0.827 3.562 1.00 0.00 H new ATOM 659 N THR X 44 23.593 7.288 1.356 1.00 0.00 N ATOM 660 CA THR X 44 23.065 8.560 1.831 1.00 0.00 C ATOM 661 C THR X 44 22.522 8.408 3.245 1.00 0.00 C ATOM 662 O THR X 44 22.116 7.319 3.650 1.00 0.00 O ATOM 663 CB THR X 44 21.947 9.044 0.905 1.00 0.00 C ATOM 664 OG1 THR X 44 20.730 8.406 1.263 1.00 0.00 O ATOM 665 CG2 THR X 44 22.297 8.707 -0.544 1.00 0.00 C ATOM 0 H THR X 44 22.988 6.486 1.531 1.00 0.00 H new ATOM 0 HA THR X 44 23.873 9.292 1.834 1.00 0.00 H new ATOM 0 HB THR X 44 21.835 10.124 1.004 1.00 0.00 H new ATOM 0 HG1 THR X 44 20.012 8.716 0.672 1.00 0.00 H new ATOM 0 HG21 THR X 44 21.499 9.053 -1.201 1.00 0.00 H new ATOM 0 HG22 THR X 44 23.231 9.199 -0.817 1.00 0.00 H new ATOM 0 HG23 THR X 44 22.412 7.628 -0.649 1.00 0.00 H new ATOM 673 N TYR X 45 22.513 9.505 3.992 1.00 0.00 N ATOM 674 CA TYR X 45 22.012 9.475 5.359 1.00 0.00 C ATOM 675 C TYR X 45 21.290 10.775 5.693 1.00 0.00 C ATOM 676 O TYR X 45 21.850 11.862 5.557 1.00 0.00 O ATOM 677 CB TYR X 45 23.171 9.267 6.336 1.00 0.00 C ATOM 678 CG TYR X 45 22.739 9.682 7.722 1.00 0.00 C ATOM 679 CD1 TYR X 45 21.489 9.285 8.216 1.00 0.00 C ATOM 680 CD2 TYR X 45 23.587 10.465 8.516 1.00 0.00 C ATOM 681 CE1 TYR X 45 21.089 9.670 9.500 1.00 0.00 C ATOM 682 CE2 TYR X 45 23.186 10.850 9.800 1.00 0.00 C ATOM 683 CZ TYR X 45 21.937 10.452 10.292 1.00 0.00 C ATOM 684 OH TYR X 45 21.542 10.832 11.560 1.00 0.00 O ATOM 0 H TYR X 45 22.843 10.417 3.678 1.00 0.00 H new ATOM 0 HA TYR X 45 21.308 8.648 5.450 1.00 0.00 H new ATOM 0 HB2 TYR X 45 23.477 8.221 6.337 1.00 0.00 H new ATOM 0 HB3 TYR X 45 24.035 9.852 6.022 1.00 0.00 H new ATOM 0 HD1 TYR X 45 20.834 8.681 7.605 1.00 0.00 H new ATOM 0 HD2 TYR X 45 24.551 10.772 8.137 1.00 0.00 H new ATOM 0 HE1 TYR X 45 20.126 9.364 9.880 1.00 0.00 H new ATOM 0 HE2 TYR X 45 23.840 11.454 10.412 1.00 0.00 H new ATOM 0 HH TYR X 45 22.248 11.371 11.975 1.00 0.00 H new ATOM 694 N ASP X 46 20.042 10.653 6.135 1.00 0.00 N ATOM 695 CA ASP X 46 19.250 11.824 6.492 1.00 0.00 C ATOM 696 C ASP X 46 18.883 11.781 7.972 1.00 0.00 C ATOM 697 O ASP X 46 18.437 10.751 8.479 1.00 0.00 O ATOM 698 CB ASP X 46 17.977 11.872 5.648 1.00 0.00 C ATOM 699 CG ASP X 46 17.634 13.317 5.302 1.00 0.00 C ATOM 700 OD1 ASP X 46 18.244 14.203 5.876 1.00 0.00 O ATOM 701 OD2 ASP X 46 16.766 13.516 4.467 1.00 0.00 O ATOM 0 H ASP X 46 19.561 9.762 6.254 1.00 0.00 H new ATOM 0 HA ASP X 46 19.843 12.718 6.299 1.00 0.00 H new ATOM 0 HB2 ASP X 46 18.115 11.294 4.734 1.00 0.00 H new ATOM 0 HB3 ASP X 46 17.152 11.414 6.194 1.00 0.00 H new ATOM 706 N ASP X 47 19.076 12.900 8.660 1.00 0.00 N ATOM 707 CA ASP X 47 18.763 12.973 10.083 1.00 0.00 C ATOM 708 C ASP X 47 17.260 13.122 10.294 1.00 0.00 C ATOM 709 O ASP X 47 16.709 12.636 11.281 1.00 0.00 O ATOM 710 CB ASP X 47 19.487 14.165 10.711 1.00 0.00 C ATOM 711 CG ASP X 47 18.755 14.617 11.970 1.00 0.00 C ATOM 712 OD1 ASP X 47 18.727 13.853 12.921 1.00 0.00 O ATOM 713 OD2 ASP X 47 18.232 15.719 11.964 1.00 0.00 O ATOM 0 H ASP X 47 19.445 13.763 8.260 1.00 0.00 H new ATOM 0 HA ASP X 47 19.095 12.050 10.559 1.00 0.00 H new ATOM 0 HB2 ASP X 47 20.513 13.890 10.956 1.00 0.00 H new ATOM 0 HB3 ASP X 47 19.540 14.986 9.996 1.00 0.00 H new ATOM 718 N ALA X 48 16.607 13.803 9.357 1.00 0.00 N ATOM 719 CA ALA X 48 15.168 14.017 9.444 1.00 0.00 C ATOM 720 C ALA X 48 14.418 12.749 9.058 1.00 0.00 C ATOM 721 O ALA X 48 13.343 12.466 9.587 1.00 0.00 O ATOM 722 CB ALA X 48 14.752 15.161 8.517 1.00 0.00 C ATOM 0 H ALA X 48 17.049 14.213 8.534 1.00 0.00 H new ATOM 0 HA ALA X 48 14.918 14.276 10.473 1.00 0.00 H new ATOM 0 HB1 ALA X 48 13.675 15.314 8.588 1.00 0.00 H new ATOM 0 HB2 ALA X 48 15.269 16.074 8.812 1.00 0.00 H new ATOM 0 HB3 ALA X 48 15.016 14.911 7.489 1.00 0.00 H new ATOM 728 N THR X 49 14.996 11.986 8.139 1.00 0.00 N ATOM 729 CA THR X 49 14.379 10.746 7.692 1.00 0.00 C ATOM 730 C THR X 49 15.072 9.549 8.332 1.00 0.00 C ATOM 731 O THR X 49 14.685 8.402 8.104 1.00 0.00 O ATOM 732 CB THR X 49 14.464 10.635 6.168 1.00 0.00 C ATOM 733 OG1 THR X 49 14.763 11.911 5.619 1.00 0.00 O ATOM 734 CG2 THR X 49 13.126 10.141 5.617 1.00 0.00 C ATOM 0 H THR X 49 15.886 12.203 7.691 1.00 0.00 H new ATOM 0 HA THR X 49 13.332 10.753 7.993 1.00 0.00 H new ATOM 0 HB THR X 49 15.249 9.929 5.896 1.00 0.00 H new ATOM 0 HG1 THR X 49 14.820 11.842 4.643 1.00 0.00 H new ATOM 0 HG21 THR X 49 13.186 10.062 4.532 1.00 0.00 H new ATOM 0 HG22 THR X 49 12.897 9.163 6.040 1.00 0.00 H new ATOM 0 HG23 THR X 49 12.339 10.846 5.886 1.00 0.00 H new ATOM 742 N LYS X 50 16.104 9.825 9.124 1.00 0.00 N ATOM 743 CA LYS X 50 16.858 8.768 9.790 1.00 0.00 C ATOM 744 C LYS X 50 16.774 7.469 9.000 1.00 0.00 C ATOM 745 O LYS X 50 16.521 6.403 9.560 1.00 0.00 O ATOM 746 CB LYS X 50 16.324 8.553 11.211 1.00 0.00 C ATOM 747 CG LYS X 50 15.034 7.726 11.172 1.00 0.00 C ATOM 748 CD LYS X 50 13.991 8.368 12.088 1.00 0.00 C ATOM 749 CE LYS X 50 14.489 8.330 13.534 1.00 0.00 C ATOM 750 NZ LYS X 50 13.360 8.646 14.455 1.00 0.00 N ATOM 0 H LYS X 50 16.437 10.769 9.320 1.00 0.00 H new ATOM 0 HA LYS X 50 17.903 9.073 9.845 1.00 0.00 H new ATOM 0 HB2 LYS X 50 17.074 8.043 11.816 1.00 0.00 H new ATOM 0 HB3 LYS X 50 16.133 9.516 11.685 1.00 0.00 H new ATOM 0 HG2 LYS X 50 14.654 7.672 10.152 1.00 0.00 H new ATOM 0 HG3 LYS X 50 15.235 6.703 11.492 1.00 0.00 H new ATOM 0 HD2 LYS X 50 13.808 9.398 11.782 1.00 0.00 H new ATOM 0 HD3 LYS X 50 13.043 7.837 12.005 1.00 0.00 H new ATOM 0 HE2 LYS X 50 14.896 7.345 13.764 1.00 0.00 H new ATOM 0 HE3 LYS X 50 15.297 9.049 13.671 1.00 0.00 H new ATOM 0 HZ1 LYS X 50 13.625 8.393 15.428 1.00 0.00 H new ATOM 0 HZ2 LYS X 50 13.147 9.663 14.407 1.00 0.00 H new ATOM 0 HZ3 LYS X 50 12.519 8.103 14.173 1.00 0.00 H new ATOM 764 N THR X 51 16.983 7.571 7.693 1.00 0.00 N ATOM 765 CA THR X 51 16.925 6.405 6.825 1.00 0.00 C ATOM 766 C THR X 51 18.212 6.279 6.014 1.00 0.00 C ATOM 767 O THR X 51 18.737 7.271 5.509 1.00 0.00 O ATOM 768 CB THR X 51 15.730 6.528 5.879 1.00 0.00 C ATOM 769 OG1 THR X 51 14.542 6.174 6.573 1.00 0.00 O ATOM 770 CG2 THR X 51 15.923 5.594 4.684 1.00 0.00 C ATOM 0 H THR X 51 17.193 8.446 7.214 1.00 0.00 H new ATOM 0 HA THR X 51 16.812 5.514 7.442 1.00 0.00 H new ATOM 0 HB THR X 51 15.652 7.555 5.523 1.00 0.00 H new ATOM 0 HG1 THR X 51 14.339 6.858 7.244 1.00 0.00 H new ATOM 0 HG21 THR X 51 15.070 5.683 4.011 1.00 0.00 H new ATOM 0 HG22 THR X 51 16.835 5.867 4.153 1.00 0.00 H new ATOM 0 HG23 THR X 51 16.002 4.565 5.035 1.00 0.00 H new ATOM 778 N PHE X 52 18.715 5.055 5.896 1.00 0.00 N ATOM 779 CA PHE X 52 19.942 4.812 5.145 1.00 0.00 C ATOM 780 C PHE X 52 19.682 3.863 3.979 1.00 0.00 C ATOM 781 O PHE X 52 19.045 2.822 4.141 1.00 0.00 O ATOM 782 CB PHE X 52 20.998 4.208 6.073 1.00 0.00 C ATOM 783 CG PHE X 52 21.200 5.116 7.263 1.00 0.00 C ATOM 784 CD1 PHE X 52 20.256 5.134 8.297 1.00 0.00 C ATOM 785 CD2 PHE X 52 22.331 5.937 7.333 1.00 0.00 C ATOM 786 CE1 PHE X 52 20.443 5.975 9.400 1.00 0.00 C ATOM 787 CE2 PHE X 52 22.518 6.778 8.437 1.00 0.00 C ATOM 788 CZ PHE X 52 21.574 6.798 9.470 1.00 0.00 C ATOM 0 H PHE X 52 18.296 4.221 6.307 1.00 0.00 H new ATOM 0 HA PHE X 52 20.301 5.761 4.746 1.00 0.00 H new ATOM 0 HB2 PHE X 52 20.682 3.219 6.406 1.00 0.00 H new ATOM 0 HB3 PHE X 52 21.938 4.079 5.537 1.00 0.00 H new ATOM 0 HD1 PHE X 52 19.384 4.499 8.243 1.00 0.00 H new ATOM 0 HD2 PHE X 52 23.059 5.922 6.536 1.00 0.00 H new ATOM 0 HE1 PHE X 52 19.715 5.989 10.197 1.00 0.00 H new ATOM 0 HE2 PHE X 52 23.391 7.411 8.491 1.00 0.00 H new ATOM 0 HZ PHE X 52 21.718 7.448 10.321 1.00 0.00 H new ATOM 798 N THR X 53 20.177 4.234 2.802 1.00 0.00 N ATOM 799 CA THR X 53 19.994 3.416 1.606 1.00 0.00 C ATOM 800 C THR X 53 21.249 3.451 0.739 1.00 0.00 C ATOM 801 O THR X 53 22.021 4.409 0.793 1.00 0.00 O ATOM 802 CB THR X 53 18.804 3.941 0.799 1.00 0.00 C ATOM 803 OG1 THR X 53 17.599 3.413 1.337 1.00 0.00 O ATOM 804 CG2 THR X 53 18.944 3.511 -0.661 1.00 0.00 C ATOM 0 H THR X 53 20.706 5.093 2.650 1.00 0.00 H new ATOM 0 HA THR X 53 19.805 2.387 1.913 1.00 0.00 H new ATOM 0 HB THR X 53 18.781 5.029 0.853 1.00 0.00 H new ATOM 0 HG1 THR X 53 17.756 3.111 2.256 1.00 0.00 H new ATOM 0 HG21 THR X 53 18.096 3.886 -1.234 1.00 0.00 H new ATOM 0 HG22 THR X 53 19.868 3.917 -1.073 1.00 0.00 H new ATOM 0 HG23 THR X 53 18.968 2.423 -0.719 1.00 0.00 H new ATOM 812 N VAL X 54 21.451 2.408 -0.060 1.00 0.00 N ATOM 813 CA VAL X 54 22.621 2.344 -0.930 1.00 0.00 C ATOM 814 C VAL X 54 22.212 1.997 -2.357 1.00 0.00 C ATOM 815 O VAL X 54 21.527 1.002 -2.594 1.00 0.00 O ATOM 816 CB VAL X 54 23.600 1.292 -0.410 1.00 0.00 C ATOM 817 CG1 VAL X 54 22.873 -0.045 -0.249 1.00 0.00 C ATOM 818 CG2 VAL X 54 24.749 1.128 -1.407 1.00 0.00 C ATOM 0 H VAL X 54 20.827 1.603 -0.124 1.00 0.00 H new ATOM 0 HA VAL X 54 23.102 3.322 -0.930 1.00 0.00 H new ATOM 0 HB VAL X 54 23.997 1.610 0.554 1.00 0.00 H new ATOM 0 HG11 VAL X 54 23.570 -0.796 0.122 1.00 0.00 H new ATOM 0 HG12 VAL X 54 22.053 0.070 0.460 1.00 0.00 H new ATOM 0 HG13 VAL X 54 22.477 -0.362 -1.214 1.00 0.00 H new ATOM 0 HG21 VAL X 54 25.448 0.378 -1.037 1.00 0.00 H new ATOM 0 HG22 VAL X 54 24.352 0.810 -2.371 1.00 0.00 H new ATOM 0 HG23 VAL X 54 25.267 2.080 -1.525 1.00 0.00 H new ATOM 828 N THR X 55 22.648 2.815 -3.304 1.00 0.00 N ATOM 829 CA THR X 55 22.335 2.580 -4.701 1.00 0.00 C ATOM 830 C THR X 55 23.602 2.538 -5.534 1.00 0.00 C ATOM 831 O THR X 55 24.480 3.388 -5.382 1.00 0.00 O ATOM 832 CB THR X 55 21.411 3.679 -5.228 1.00 0.00 C ATOM 833 OG1 THR X 55 21.980 4.266 -6.391 1.00 0.00 O ATOM 834 CG2 THR X 55 21.197 4.739 -4.156 1.00 0.00 C ATOM 0 H THR X 55 23.217 3.643 -3.129 1.00 0.00 H new ATOM 0 HA THR X 55 21.830 1.617 -4.779 1.00 0.00 H new ATOM 0 HB THR X 55 20.446 3.243 -5.485 1.00 0.00 H new ATOM 0 HG1 THR X 55 21.385 4.969 -6.727 1.00 0.00 H new ATOM 0 HG21 THR X 55 20.538 5.517 -4.540 1.00 0.00 H new ATOM 0 HG22 THR X 55 20.744 4.281 -3.277 1.00 0.00 H new ATOM 0 HG23 THR X 55 22.156 5.178 -3.882 1.00 0.00 H new ATOM 842 N GLU X 56 23.698 1.558 -6.414 1.00 0.00 N ATOM 843 CA GLU X 56 24.871 1.440 -7.259 1.00 0.00 C ATOM 844 C GLU X 56 24.479 1.493 -8.732 1.00 0.00 C ATOM 845 O GLU X 56 24.116 2.564 -9.190 1.00 0.00 O ATOM 846 CB GLU X 56 25.599 0.125 -6.971 1.00 0.00 C ATOM 847 CG GLU X 56 24.616 -0.886 -6.377 1.00 0.00 C ATOM 848 CD GLU X 56 25.013 -2.300 -6.789 1.00 0.00 C ATOM 849 OE1 GLU X 56 24.764 -2.656 -7.929 1.00 0.00 O ATOM 850 OE2 GLU X 56 25.560 -3.007 -5.958 1.00 0.00 O ATOM 851 OXT GLU X 56 24.548 0.463 -9.381 1.00 0.00 O ATOM 0 H GLU X 56 22.988 0.841 -6.561 1.00 0.00 H new ATOM 0 HA GLU X 56 25.535 2.276 -7.040 1.00 0.00 H new ATOM 0 HB2 GLU X 56 26.033 -0.271 -7.889 1.00 0.00 H new ATOM 0 HB3 GLU X 56 26.422 0.298 -6.278 1.00 0.00 H new ATOM 0 HG2 GLU X 56 24.608 -0.803 -5.290 1.00 0.00 H new ATOM 0 HG3 GLU X 56 23.605 -0.668 -6.721 1.00 0.00 H new