USER MOD reduce.3.24.130724 H: found=0, std=0, add=428, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 428 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 50 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 52 THR OG1 : rot -19:sc= 0.174 USER MOD Set 2.1: A 17 THR OG1 : rot -170:sc= 0 USER MOD Set 2.2: A 34 TYR OH : rot 30:sc= -1.3 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 160:sc= 0.00461 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 118:sc= 0.695 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.113 K(o=-0.11,f=-0.62) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.0686) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 115:sc= -0.668 USER MOD Single : A 26 THR OG1 : rot -140:sc= -0.609 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.393 X(o=-0.39,f=-0.21) USER MOD Single : A 36 ASN : amide:sc= -0.0089 X(o=-0.0089,f=0) USER MOD Single : A 38 ASN : amide:sc= -2.28! C(o=-2.3!,f=-5.9!) USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.05 USER MOD Single : A 46 TYR OH : rot 32:sc= -2.98 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -14:sc= -0.359! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.545 -1.653 4.287 1.00 0.00 N ATOM 2 CA MET A 1 15.207 -2.079 3.781 1.00 0.00 C ATOM 3 C MET A 1 14.375 -0.851 3.395 1.00 0.00 C ATOM 4 O MET A 1 14.573 0.231 3.915 1.00 0.00 O ATOM 5 CB MET A 1 14.556 -2.830 4.951 1.00 0.00 C ATOM 6 CG MET A 1 14.452 -4.321 4.617 1.00 0.00 C ATOM 7 SD MET A 1 14.089 -5.253 6.125 1.00 0.00 S ATOM 8 CE MET A 1 15.801 -5.484 6.665 1.00 0.00 C ATOM 0 H1 MET A 1 16.964 -2.421 4.849 1.00 0.00 H new ATOM 0 H2 MET A 1 17.167 -1.434 3.483 1.00 0.00 H new ATOM 0 H3 MET A 1 16.438 -0.807 4.882 1.00 0.00 H new ATOM 0 HA MET A 1 15.281 -2.705 2.892 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.146 -2.691 5.857 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.565 -2.423 5.150 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.668 -4.485 3.878 1.00 0.00 H new ATOM 0 HG3 MET A 1 15.385 -4.672 4.176 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.815 -6.047 7.598 1.00 0.00 H new ATOM 0 HE2 MET A 1 16.352 -6.033 5.901 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.268 -4.511 6.821 1.00 0.00 H new ATOM 20 N THR A 2 13.448 -1.015 2.484 1.00 0.00 N ATOM 21 CA THR A 2 12.599 0.137 2.054 1.00 0.00 C ATOM 22 C THR A 2 11.226 0.068 2.728 1.00 0.00 C ATOM 23 O THR A 2 10.441 -0.823 2.465 1.00 0.00 O ATOM 24 CB THR A 2 12.460 -0.019 0.540 1.00 0.00 C ATOM 25 OG1 THR A 2 13.751 -0.109 -0.048 1.00 0.00 O ATOM 26 CG2 THR A 2 11.719 1.191 -0.031 1.00 0.00 C ATOM 0 H THR A 2 13.243 -1.899 2.019 1.00 0.00 H new ATOM 0 HA THR A 2 13.037 1.096 2.328 1.00 0.00 H new ATOM 0 HB THR A 2 11.898 -0.926 0.318 1.00 0.00 H new ATOM 0 HG1 THR A 2 13.852 -0.981 -0.483 1.00 0.00 H new ATOM 0 HG21 THR A 2 11.620 1.080 -1.111 1.00 0.00 H new ATOM 0 HG22 THR A 2 10.729 1.257 0.420 1.00 0.00 H new ATOM 0 HG23 THR A 2 12.280 2.099 0.191 1.00 0.00 H new ATOM 34 N THR A 3 10.937 1.002 3.598 1.00 0.00 N ATOM 35 CA THR A 3 9.628 1.004 4.299 1.00 0.00 C ATOM 36 C THR A 3 8.587 1.792 3.496 1.00 0.00 C ATOM 37 O THR A 3 8.454 2.992 3.652 1.00 0.00 O ATOM 38 CB THR A 3 9.899 1.687 5.641 1.00 0.00 C ATOM 39 OG1 THR A 3 11.096 1.165 6.202 1.00 0.00 O ATOM 40 CG2 THR A 3 8.732 1.428 6.593 1.00 0.00 C ATOM 0 H THR A 3 11.561 1.768 3.851 1.00 0.00 H new ATOM 0 HA THR A 3 9.230 -0.003 4.424 1.00 0.00 H new ATOM 0 HB THR A 3 10.007 2.761 5.487 1.00 0.00 H new ATOM 0 HG1 THR A 3 11.273 1.602 7.061 1.00 0.00 H new ATOM 0 HG21 THR A 3 8.927 1.915 7.548 1.00 0.00 H new ATOM 0 HG22 THR A 3 7.815 1.829 6.162 1.00 0.00 H new ATOM 0 HG23 THR A 3 8.621 0.355 6.749 1.00 0.00 H new ATOM 48 N PHE A 4 7.846 1.127 2.644 1.00 0.00 N ATOM 49 CA PHE A 4 6.806 1.838 1.835 1.00 0.00 C ATOM 50 C PHE A 4 5.609 2.192 2.723 1.00 0.00 C ATOM 51 O PHE A 4 5.511 1.745 3.851 1.00 0.00 O ATOM 52 CB PHE A 4 6.386 0.847 0.747 1.00 0.00 C ATOM 53 CG PHE A 4 7.543 0.586 -0.185 1.00 0.00 C ATOM 54 CD1 PHE A 4 7.758 1.421 -1.288 1.00 0.00 C ATOM 55 CD2 PHE A 4 8.397 -0.497 0.051 1.00 0.00 C ATOM 56 CE1 PHE A 4 8.828 1.171 -2.155 1.00 0.00 C ATOM 57 CE2 PHE A 4 9.467 -0.746 -0.815 1.00 0.00 C ATOM 58 CZ PHE A 4 9.682 0.087 -1.919 1.00 0.00 C ATOM 0 H PHE A 4 7.916 0.124 2.473 1.00 0.00 H new ATOM 0 HA PHE A 4 7.183 2.768 1.408 1.00 0.00 H new ATOM 0 HB2 PHE A 4 6.056 -0.087 1.202 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.540 1.245 0.187 1.00 0.00 H new ATOM 0 HD1 PHE A 4 7.099 2.257 -1.470 1.00 0.00 H new ATOM 0 HD2 PHE A 4 8.230 -1.141 0.902 1.00 0.00 H new ATOM 0 HE1 PHE A 4 8.995 1.814 -3.006 1.00 0.00 H new ATOM 0 HE2 PHE A 4 10.127 -1.581 -0.632 1.00 0.00 H new ATOM 0 HZ PHE A 4 10.507 -0.106 -2.589 1.00 0.00 H new ATOM 68 N LYS A 5 4.698 2.990 2.223 1.00 0.00 N ATOM 69 CA LYS A 5 3.504 3.373 3.036 1.00 0.00 C ATOM 70 C LYS A 5 2.228 3.252 2.197 1.00 0.00 C ATOM 71 O LYS A 5 2.039 3.971 1.236 1.00 0.00 O ATOM 72 CB LYS A 5 3.748 4.829 3.436 1.00 0.00 C ATOM 73 CG LYS A 5 4.385 4.878 4.826 1.00 0.00 C ATOM 74 CD LYS A 5 4.836 6.308 5.130 1.00 0.00 C ATOM 75 CE LYS A 5 6.296 6.483 4.705 1.00 0.00 C ATOM 76 NZ LYS A 5 6.809 7.601 5.545 1.00 0.00 N ATOM 0 H LYS A 5 4.730 3.393 1.286 1.00 0.00 H new ATOM 0 HA LYS A 5 3.373 2.728 3.905 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.400 5.312 2.709 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.807 5.379 3.436 1.00 0.00 H new ATOM 0 HG2 LYS A 5 3.670 4.543 5.577 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.237 4.199 4.872 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.204 7.021 4.600 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.728 6.516 6.194 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.868 5.570 4.871 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.373 6.719 3.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.806 7.781 5.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.250 8.458 5.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.730 7.345 6.550 1.00 0.00 H new ATOM 90 N LEU A 6 1.355 2.346 2.558 1.00 0.00 N ATOM 91 CA LEU A 6 0.087 2.167 1.789 1.00 0.00 C ATOM 92 C LEU A 6 -1.043 2.970 2.431 1.00 0.00 C ATOM 93 O LEU A 6 -1.512 2.637 3.503 1.00 0.00 O ATOM 94 CB LEU A 6 -0.227 0.662 1.882 1.00 0.00 C ATOM 95 CG LEU A 6 -1.061 0.129 0.678 1.00 0.00 C ATOM 96 CD1 LEU A 6 -2.107 -0.864 1.199 1.00 0.00 C ATOM 97 CD2 LEU A 6 -1.796 1.249 -0.088 1.00 0.00 C ATOM 0 H LEU A 6 1.467 1.720 3.356 1.00 0.00 H new ATOM 0 HA LEU A 6 0.185 2.510 0.759 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.709 0.106 1.941 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.772 0.468 2.806 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.362 -0.342 -0.013 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.696 -1.243 0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.605 -1.694 1.695 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.764 -0.361 1.908 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.359 0.816 -0.915 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.480 1.763 0.587 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.069 1.961 -0.478 1.00 0.00 H new ATOM 109 N ILE A 7 -1.497 4.012 1.778 1.00 0.00 N ATOM 110 CA ILE A 7 -2.614 4.814 2.355 1.00 0.00 C ATOM 111 C ILE A 7 -3.874 3.938 2.401 1.00 0.00 C ATOM 112 O ILE A 7 -3.946 2.921 1.737 1.00 0.00 O ATOM 113 CB ILE A 7 -2.760 6.049 1.427 1.00 0.00 C ATOM 114 CG1 ILE A 7 -3.159 7.255 2.275 1.00 0.00 C ATOM 115 CG2 ILE A 7 -3.814 5.836 0.326 1.00 0.00 C ATOM 116 CD1 ILE A 7 -2.690 8.538 1.587 1.00 0.00 C ATOM 0 H ILE A 7 -1.144 4.338 0.878 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.437 5.148 3.377 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.801 6.212 0.934 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.240 7.276 2.410 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.715 7.178 3.268 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -3.877 6.729 -0.295 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.528 4.984 -0.291 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.784 5.643 0.784 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.974 9.400 2.191 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.606 8.515 1.475 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.155 8.615 0.604 1.00 0.00 H new ATOM 128 N ILE A 8 -4.855 4.317 3.172 1.00 0.00 N ATOM 129 CA ILE A 8 -6.093 3.491 3.249 1.00 0.00 C ATOM 130 C ILE A 8 -7.323 4.343 2.931 1.00 0.00 C ATOM 131 O ILE A 8 -8.069 4.725 3.811 1.00 0.00 O ATOM 132 CB ILE A 8 -6.134 2.968 4.690 1.00 0.00 C ATOM 133 CG1 ILE A 8 -4.867 2.140 4.977 1.00 0.00 C ATOM 134 CG2 ILE A 8 -7.377 2.093 4.891 1.00 0.00 C ATOM 135 CD1 ILE A 8 -4.799 0.923 4.045 1.00 0.00 C ATOM 0 H ILE A 8 -4.854 5.158 3.749 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.093 2.674 2.528 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.176 3.814 5.376 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -3.981 2.760 4.840 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -4.868 1.810 6.016 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.401 1.724 5.917 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -8.273 2.683 4.697 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.343 1.249 4.203 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.898 0.349 4.261 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -5.676 0.295 4.202 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.775 1.259 3.008 1.00 0.00 H new ATOM 147 N ASN A 9 -7.546 4.627 1.673 1.00 0.00 N ATOM 148 CA ASN A 9 -8.740 5.435 1.287 1.00 0.00 C ATOM 149 C ASN A 9 -9.864 4.484 0.876 1.00 0.00 C ATOM 150 O ASN A 9 -10.496 4.649 -0.150 1.00 0.00 O ATOM 151 CB ASN A 9 -8.281 6.301 0.105 1.00 0.00 C ATOM 152 CG ASN A 9 -8.365 7.782 0.481 1.00 0.00 C ATOM 153 OD1 ASN A 9 -9.295 8.203 1.138 1.00 0.00 O ATOM 154 ND2 ASN A 9 -7.422 8.596 0.087 1.00 0.00 N ATOM 0 H ASN A 9 -6.952 4.334 0.897 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.118 6.058 2.098 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -7.258 6.044 -0.170 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -8.905 6.102 -0.767 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -7.467 9.585 0.331 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -6.641 8.242 -0.465 1.00 0.00 H new ATOM 161 N GLY A 10 -10.099 3.478 1.677 1.00 0.00 N ATOM 162 CA GLY A 10 -11.161 2.485 1.358 1.00 0.00 C ATOM 163 C GLY A 10 -12.324 2.634 2.334 1.00 0.00 C ATOM 164 O GLY A 10 -12.175 3.169 3.416 1.00 0.00 O ATOM 0 H GLY A 10 -9.595 3.302 2.546 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -11.512 2.631 0.336 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -10.755 1.475 1.415 1.00 0.00 H new ATOM 168 N LYS A 11 -13.478 2.146 1.960 1.00 0.00 N ATOM 169 CA LYS A 11 -14.661 2.235 2.866 1.00 0.00 C ATOM 170 C LYS A 11 -14.574 1.165 3.968 1.00 0.00 C ATOM 171 O LYS A 11 -15.415 1.110 4.846 1.00 0.00 O ATOM 172 CB LYS A 11 -15.871 1.980 1.966 1.00 0.00 C ATOM 173 CG LYS A 11 -17.151 2.380 2.703 1.00 0.00 C ATOM 174 CD LYS A 11 -17.245 3.905 2.773 1.00 0.00 C ATOM 175 CE LYS A 11 -18.661 4.311 3.189 1.00 0.00 C ATOM 176 NZ LYS A 11 -18.495 5.608 3.901 1.00 0.00 N ATOM 0 H LYS A 11 -13.652 1.689 1.065 1.00 0.00 H new ATOM 0 HA LYS A 11 -14.722 3.201 3.368 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -15.777 2.551 1.043 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -15.914 0.927 1.686 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -18.022 1.975 2.187 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -17.151 1.959 3.708 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -16.519 4.292 3.488 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -17.001 4.340 1.804 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -19.312 4.417 2.321 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -19.113 3.560 3.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -19.424 5.952 4.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -17.876 5.474 4.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -18.069 6.305 3.258 1.00 0.00 H new ATOM 190 N THR A 12 -13.568 0.317 3.934 1.00 0.00 N ATOM 191 CA THR A 12 -13.440 -0.738 4.981 1.00 0.00 C ATOM 192 C THR A 12 -12.421 -0.310 6.038 1.00 0.00 C ATOM 193 O THR A 12 -12.542 -0.653 7.199 1.00 0.00 O ATOM 194 CB THR A 12 -12.950 -1.979 4.233 1.00 0.00 C ATOM 195 OG1 THR A 12 -13.840 -2.267 3.164 1.00 0.00 O ATOM 196 CG2 THR A 12 -12.898 -3.169 5.193 1.00 0.00 C ATOM 0 H THR A 12 -12.834 0.315 3.225 1.00 0.00 H new ATOM 0 HA THR A 12 -14.380 -0.921 5.502 1.00 0.00 H new ATOM 0 HB THR A 12 -11.952 -1.794 3.835 1.00 0.00 H new ATOM 0 HG1 THR A 12 -13.527 -3.061 2.682 1.00 0.00 H new ATOM 0 HG21 THR A 12 -12.549 -4.053 4.659 1.00 0.00 H new ATOM 0 HG22 THR A 12 -12.214 -2.946 6.012 1.00 0.00 H new ATOM 0 HG23 THR A 12 -13.894 -3.357 5.593 1.00 0.00 H new ATOM 204 N LEU A 13 -11.417 0.435 5.645 1.00 0.00 N ATOM 205 CA LEU A 13 -10.388 0.883 6.632 1.00 0.00 C ATOM 206 C LEU A 13 -9.969 2.329 6.353 1.00 0.00 C ATOM 207 O LEU A 13 -10.370 2.922 5.369 1.00 0.00 O ATOM 208 CB LEU A 13 -9.207 -0.067 6.431 1.00 0.00 C ATOM 209 CG LEU A 13 -9.533 -1.425 7.054 1.00 0.00 C ATOM 210 CD1 LEU A 13 -8.424 -2.422 6.715 1.00 0.00 C ATOM 211 CD2 LEU A 13 -9.635 -1.276 8.573 1.00 0.00 C ATOM 0 H LEU A 13 -11.266 0.751 4.687 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.764 0.859 7.655 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.997 -0.184 5.368 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.310 0.349 6.889 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.481 -1.788 6.658 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.657 -3.390 7.159 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.348 -2.528 5.633 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.475 -2.060 7.111 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.867 -2.243 9.019 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.686 -0.913 8.968 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.425 -0.565 8.817 1.00 0.00 H new ATOM 223 N LYS A 14 -9.161 2.895 7.214 1.00 0.00 N ATOM 224 CA LYS A 14 -8.702 4.302 7.011 1.00 0.00 C ATOM 225 C LYS A 14 -7.439 4.566 7.839 1.00 0.00 C ATOM 226 O LYS A 14 -7.354 4.184 8.991 1.00 0.00 O ATOM 227 CB LYS A 14 -9.866 5.180 7.494 1.00 0.00 C ATOM 228 CG LYS A 14 -10.243 6.187 6.403 1.00 0.00 C ATOM 229 CD LYS A 14 -11.596 6.819 6.735 1.00 0.00 C ATOM 230 CE LYS A 14 -11.996 7.785 5.617 1.00 0.00 C ATOM 231 NZ LYS A 14 -12.601 6.924 4.562 1.00 0.00 N ATOM 0 H LYS A 14 -8.798 2.441 8.052 1.00 0.00 H new ATOM 0 HA LYS A 14 -8.449 4.510 5.971 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.726 4.557 7.740 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -9.583 5.706 8.406 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.478 6.960 6.327 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -10.290 5.689 5.435 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -12.354 6.044 6.849 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -11.538 7.350 7.685 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -12.707 8.530 5.974 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -11.131 8.327 5.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -12.283 7.247 3.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -12.305 5.938 4.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -13.638 6.986 4.616 1.00 0.00 H new ATOM 245 N GLY A 15 -6.460 5.217 7.259 1.00 0.00 N ATOM 246 CA GLY A 15 -5.203 5.508 8.007 1.00 0.00 C ATOM 247 C GLY A 15 -3.994 5.174 7.130 1.00 0.00 C ATOM 248 O GLY A 15 -4.020 5.362 5.928 1.00 0.00 O ATOM 0 H GLY A 15 -6.480 5.559 6.298 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.175 6.558 8.297 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -5.171 4.923 8.926 1.00 0.00 H new ATOM 252 N GLU A 16 -2.936 4.682 7.724 1.00 0.00 N ATOM 253 CA GLU A 16 -1.718 4.336 6.930 1.00 0.00 C ATOM 254 C GLU A 16 -1.138 2.997 7.396 1.00 0.00 C ATOM 255 O GLU A 16 -1.282 2.613 8.541 1.00 0.00 O ATOM 256 CB GLU A 16 -0.733 5.472 7.208 1.00 0.00 C ATOM 257 CG GLU A 16 -1.175 6.726 6.452 1.00 0.00 C ATOM 258 CD GLU A 16 -0.070 7.781 6.522 1.00 0.00 C ATOM 259 OE1 GLU A 16 0.028 8.441 7.543 1.00 0.00 O ATOM 260 OE2 GLU A 16 0.660 7.911 5.554 1.00 0.00 O ATOM 0 H GLU A 16 -2.863 4.505 8.726 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.935 4.231 5.867 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.689 5.676 8.278 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.271 5.182 6.897 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.391 6.479 5.413 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.095 7.119 6.885 1.00 0.00 H new ATOM 267 N THR A 17 -0.480 2.289 6.512 1.00 0.00 N ATOM 268 CA THR A 17 0.119 0.973 6.889 1.00 0.00 C ATOM 269 C THR A 17 1.580 0.909 6.430 1.00 0.00 C ATOM 270 O THR A 17 1.936 1.443 5.396 1.00 0.00 O ATOM 271 CB THR A 17 -0.723 -0.072 6.153 1.00 0.00 C ATOM 272 OG1 THR A 17 -2.098 0.273 6.255 1.00 0.00 O ATOM 273 CG2 THR A 17 -0.491 -1.449 6.778 1.00 0.00 C ATOM 0 H THR A 17 -0.332 2.568 5.542 1.00 0.00 H new ATOM 0 HA THR A 17 0.117 0.810 7.967 1.00 0.00 H new ATOM 0 HB THR A 17 -0.433 -0.100 5.103 1.00 0.00 H new ATOM 0 HG1 THR A 17 -2.647 -0.469 5.925 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.091 -2.192 6.253 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.564 -1.712 6.698 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.780 -1.425 7.829 1.00 0.00 H new ATOM 281 N THR A 18 2.425 0.264 7.194 1.00 0.00 N ATOM 282 CA THR A 18 3.867 0.165 6.809 1.00 0.00 C ATOM 283 C THR A 18 4.352 -1.284 6.927 1.00 0.00 C ATOM 284 O THR A 18 4.006 -1.989 7.856 1.00 0.00 O ATOM 285 CB THR A 18 4.603 1.060 7.806 1.00 0.00 C ATOM 286 OG1 THR A 18 4.275 0.661 9.130 1.00 0.00 O ATOM 287 CG2 THR A 18 4.185 2.516 7.592 1.00 0.00 C ATOM 0 H THR A 18 2.179 -0.199 8.069 1.00 0.00 H new ATOM 0 HA THR A 18 4.041 0.472 5.778 1.00 0.00 H new ATOM 0 HB THR A 18 5.678 0.967 7.654 1.00 0.00 H new ATOM 0 HG1 THR A 18 4.747 1.233 9.770 1.00 0.00 H new ATOM 0 HG21 THR A 18 4.710 3.154 8.303 1.00 0.00 H new ATOM 0 HG22 THR A 18 4.437 2.821 6.576 1.00 0.00 H new ATOM 0 HG23 THR A 18 3.110 2.612 7.744 1.00 0.00 H new ATOM 295 N THR A 19 5.153 -1.728 5.990 1.00 0.00 N ATOM 296 CA THR A 19 5.668 -3.131 6.039 1.00 0.00 C ATOM 297 C THR A 19 7.090 -3.197 5.471 1.00 0.00 C ATOM 298 O THR A 19 7.380 -2.638 4.430 1.00 0.00 O ATOM 299 CB THR A 19 4.698 -3.948 5.176 1.00 0.00 C ATOM 300 OG1 THR A 19 5.122 -5.303 5.150 1.00 0.00 O ATOM 301 CG2 THR A 19 4.667 -3.397 3.746 1.00 0.00 C ATOM 0 H THR A 19 5.473 -1.178 5.192 1.00 0.00 H new ATOM 0 HA THR A 19 5.720 -3.514 7.058 1.00 0.00 H new ATOM 0 HB THR A 19 3.697 -3.880 5.603 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.451 -5.864 5.591 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.975 -3.986 3.144 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.339 -2.358 3.764 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.665 -3.455 3.312 1.00 0.00 H new ATOM 309 N GLU A 20 7.975 -3.878 6.153 1.00 0.00 N ATOM 310 CA GLU A 20 9.386 -3.988 5.665 1.00 0.00 C ATOM 311 C GLU A 20 9.429 -4.694 4.305 1.00 0.00 C ATOM 312 O GLU A 20 8.868 -5.759 4.130 1.00 0.00 O ATOM 313 CB GLU A 20 10.122 -4.819 6.725 1.00 0.00 C ATOM 314 CG GLU A 20 9.436 -6.185 6.899 1.00 0.00 C ATOM 315 CD GLU A 20 10.369 -7.302 6.422 1.00 0.00 C ATOM 316 OE1 GLU A 20 10.718 -7.296 5.253 1.00 0.00 O ATOM 317 OE2 GLU A 20 10.717 -8.143 7.234 1.00 0.00 O ATOM 0 H GLU A 20 7.782 -4.364 7.029 1.00 0.00 H new ATOM 0 HA GLU A 20 9.845 -3.009 5.529 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.161 -4.961 6.429 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.131 -4.285 7.675 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.175 -6.340 7.946 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.506 -6.209 6.332 1.00 0.00 H new ATOM 324 N ALA A 21 10.095 -4.104 3.344 1.00 0.00 N ATOM 325 CA ALA A 21 10.186 -4.729 1.991 1.00 0.00 C ATOM 326 C ALA A 21 11.464 -4.267 1.286 1.00 0.00 C ATOM 327 O ALA A 21 11.852 -3.118 1.384 1.00 0.00 O ATOM 328 CB ALA A 21 8.949 -4.235 1.240 1.00 0.00 C ATOM 0 H ALA A 21 10.581 -3.213 3.440 1.00 0.00 H new ATOM 0 HA ALA A 21 10.223 -5.817 2.038 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.944 -4.652 0.233 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.051 -4.553 1.769 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.969 -3.147 1.181 1.00 0.00 H new ATOM 334 N VAL A 22 12.121 -5.153 0.579 1.00 0.00 N ATOM 335 CA VAL A 22 13.380 -4.766 -0.135 1.00 0.00 C ATOM 336 C VAL A 22 13.101 -3.622 -1.121 1.00 0.00 C ATOM 337 O VAL A 22 13.916 -2.738 -1.304 1.00 0.00 O ATOM 338 CB VAL A 22 13.836 -6.034 -0.872 1.00 0.00 C ATOM 339 CG1 VAL A 22 12.761 -6.482 -1.867 1.00 0.00 C ATOM 340 CG2 VAL A 22 15.137 -5.746 -1.628 1.00 0.00 C ATOM 0 H VAL A 22 11.841 -6.127 0.465 1.00 0.00 H new ATOM 0 HA VAL A 22 14.149 -4.407 0.549 1.00 0.00 H new ATOM 0 HB VAL A 22 14.000 -6.827 -0.143 1.00 0.00 H new ATOM 0 HG11 VAL A 22 13.096 -7.382 -2.383 1.00 0.00 H new ATOM 0 HG12 VAL A 22 11.835 -6.694 -1.332 1.00 0.00 H new ATOM 0 HG13 VAL A 22 12.586 -5.690 -2.595 1.00 0.00 H new ATOM 0 HG21 VAL A 22 15.461 -6.646 -2.151 1.00 0.00 H new ATOM 0 HG22 VAL A 22 14.969 -4.947 -2.350 1.00 0.00 H new ATOM 0 HG23 VAL A 22 15.908 -5.440 -0.921 1.00 0.00 H new ATOM 350 N ASP A 23 11.952 -3.635 -1.747 1.00 0.00 N ATOM 351 CA ASP A 23 11.604 -2.551 -2.716 1.00 0.00 C ATOM 352 C ASP A 23 10.130 -2.654 -3.118 1.00 0.00 C ATOM 353 O ASP A 23 9.396 -3.478 -2.606 1.00 0.00 O ATOM 354 CB ASP A 23 12.515 -2.775 -3.932 1.00 0.00 C ATOM 355 CG ASP A 23 12.338 -4.196 -4.493 1.00 0.00 C ATOM 356 OD1 ASP A 23 11.389 -4.862 -4.108 1.00 0.00 O ATOM 357 OD2 ASP A 23 13.161 -4.593 -5.301 1.00 0.00 O ATOM 0 H ASP A 23 11.237 -4.352 -1.628 1.00 0.00 H new ATOM 0 HA ASP A 23 11.748 -1.560 -2.287 1.00 0.00 H new ATOM 0 HB2 ASP A 23 12.283 -2.043 -4.705 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.555 -2.619 -3.646 1.00 0.00 H new ATOM 362 N ALA A 24 9.693 -1.818 -4.027 1.00 0.00 N ATOM 363 CA ALA A 24 8.265 -1.852 -4.466 1.00 0.00 C ATOM 364 C ALA A 24 7.888 -3.245 -4.984 1.00 0.00 C ATOM 365 O ALA A 24 6.737 -3.638 -4.944 1.00 0.00 O ATOM 366 CB ALA A 24 8.162 -0.820 -5.591 1.00 0.00 C ATOM 0 H ALA A 24 10.267 -1.111 -4.485 1.00 0.00 H new ATOM 0 HA ALA A 24 7.586 -1.629 -3.643 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.138 -0.789 -5.964 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.439 0.163 -5.210 1.00 0.00 H new ATOM 0 HB3 ALA A 24 8.835 -1.097 -6.402 1.00 0.00 H new ATOM 372 N ALA A 25 8.849 -3.991 -5.471 1.00 0.00 N ATOM 373 CA ALA A 25 8.550 -5.361 -5.996 1.00 0.00 C ATOM 374 C ALA A 25 7.940 -6.232 -4.893 1.00 0.00 C ATOM 375 O ALA A 25 7.160 -7.127 -5.158 1.00 0.00 O ATOM 376 CB ALA A 25 9.901 -5.929 -6.439 1.00 0.00 C ATOM 0 H ALA A 25 9.828 -3.711 -5.528 1.00 0.00 H new ATOM 0 HA ALA A 25 7.832 -5.335 -6.816 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.760 -6.934 -6.836 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.329 -5.290 -7.212 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.577 -5.968 -5.585 1.00 0.00 H new ATOM 382 N THR A 26 8.293 -5.973 -3.659 1.00 0.00 N ATOM 383 CA THR A 26 7.739 -6.779 -2.530 1.00 0.00 C ATOM 384 C THR A 26 6.702 -5.963 -1.750 1.00 0.00 C ATOM 385 O THR A 26 5.797 -6.509 -1.148 1.00 0.00 O ATOM 386 CB THR A 26 8.945 -7.101 -1.647 1.00 0.00 C ATOM 387 OG1 THR A 26 10.012 -7.571 -2.459 1.00 0.00 O ATOM 388 CG2 THR A 26 8.563 -8.179 -0.631 1.00 0.00 C ATOM 0 H THR A 26 8.943 -5.236 -3.385 1.00 0.00 H new ATOM 0 HA THR A 26 7.233 -7.681 -2.876 1.00 0.00 H new ATOM 0 HB THR A 26 9.259 -6.201 -1.118 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.467 -8.310 -2.005 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.424 -8.408 -0.002 1.00 0.00 H new ATOM 0 HG22 THR A 26 7.744 -7.818 -0.008 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.249 -9.080 -1.157 1.00 0.00 H new ATOM 396 N ALA A 27 6.829 -4.658 -1.759 1.00 0.00 N ATOM 397 CA ALA A 27 5.852 -3.798 -1.018 1.00 0.00 C ATOM 398 C ALA A 27 4.433 -4.022 -1.553 1.00 0.00 C ATOM 399 O ALA A 27 3.507 -4.253 -0.799 1.00 0.00 O ATOM 400 CB ALA A 27 6.301 -2.359 -1.281 1.00 0.00 C ATOM 0 H ALA A 27 7.567 -4.151 -2.247 1.00 0.00 H new ATOM 0 HA ALA A 27 5.831 -4.029 0.047 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.631 -1.669 -0.768 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.317 -2.221 -0.910 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.276 -2.160 -2.352 1.00 0.00 H new ATOM 406 N GLU A 28 4.262 -3.956 -2.848 1.00 0.00 N ATOM 407 CA GLU A 28 2.905 -4.167 -3.444 1.00 0.00 C ATOM 408 C GLU A 28 2.410 -5.580 -3.135 1.00 0.00 C ATOM 409 O GLU A 28 1.282 -5.771 -2.734 1.00 0.00 O ATOM 410 CB GLU A 28 3.096 -3.985 -4.952 1.00 0.00 C ATOM 411 CG GLU A 28 1.736 -3.767 -5.619 1.00 0.00 C ATOM 412 CD GLU A 28 1.770 -4.328 -7.042 1.00 0.00 C ATOM 413 OE1 GLU A 28 2.767 -4.124 -7.715 1.00 0.00 O ATOM 414 OE2 GLU A 28 0.798 -4.952 -7.435 1.00 0.00 O ATOM 0 H GLU A 28 5.004 -3.765 -3.521 1.00 0.00 H new ATOM 0 HA GLU A 28 2.166 -3.473 -3.042 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.748 -3.133 -5.146 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.584 -4.863 -5.376 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.953 -4.258 -5.042 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.496 -2.704 -5.641 1.00 0.00 H new ATOM 421 N LYS A 29 3.246 -6.570 -3.319 1.00 0.00 N ATOM 422 CA LYS A 29 2.822 -7.981 -3.039 1.00 0.00 C ATOM 423 C LYS A 29 2.312 -8.123 -1.599 1.00 0.00 C ATOM 424 O LYS A 29 1.405 -8.888 -1.328 1.00 0.00 O ATOM 425 CB LYS A 29 4.081 -8.825 -3.242 1.00 0.00 C ATOM 426 CG LYS A 29 4.476 -8.806 -4.719 1.00 0.00 C ATOM 427 CD LYS A 29 5.430 -9.967 -5.006 1.00 0.00 C ATOM 428 CE LYS A 29 5.280 -10.404 -6.464 1.00 0.00 C ATOM 429 NZ LYS A 29 6.552 -11.107 -6.787 1.00 0.00 N ATOM 0 H LYS A 29 4.205 -6.465 -3.651 1.00 0.00 H new ATOM 0 HA LYS A 29 2.007 -8.293 -3.692 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.896 -8.435 -2.632 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.901 -9.849 -2.916 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.588 -8.888 -5.345 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.954 -7.858 -4.967 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.458 -9.663 -4.811 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.213 -10.803 -4.341 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.421 -11.063 -6.592 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.125 -9.547 -7.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.525 -11.437 -7.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.351 -10.453 -6.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.669 -11.922 -6.152 1.00 0.00 H new ATOM 443 N VAL A 30 2.891 -7.395 -0.678 1.00 0.00 N ATOM 444 CA VAL A 30 2.446 -7.487 0.746 1.00 0.00 C ATOM 445 C VAL A 30 1.246 -6.565 0.988 1.00 0.00 C ATOM 446 O VAL A 30 0.259 -6.965 1.577 1.00 0.00 O ATOM 447 CB VAL A 30 3.655 -7.032 1.572 1.00 0.00 C ATOM 448 CG1 VAL A 30 3.313 -7.079 3.064 1.00 0.00 C ATOM 449 CG2 VAL A 30 4.842 -7.961 1.299 1.00 0.00 C ATOM 0 H VAL A 30 3.654 -6.740 -0.851 1.00 0.00 H new ATOM 0 HA VAL A 30 2.128 -8.494 1.015 1.00 0.00 H new ATOM 0 HB VAL A 30 3.914 -6.011 1.291 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.176 -6.755 3.645 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.470 -6.417 3.265 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.049 -8.099 3.345 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.701 -7.636 1.887 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.577 -8.981 1.577 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.094 -7.927 0.239 1.00 0.00 H new ATOM 459 N PHE A 31 1.327 -5.337 0.543 1.00 0.00 N ATOM 460 CA PHE A 31 0.191 -4.388 0.753 1.00 0.00 C ATOM 461 C PHE A 31 -1.019 -4.821 -0.077 1.00 0.00 C ATOM 462 O PHE A 31 -2.149 -4.717 0.363 1.00 0.00 O ATOM 463 CB PHE A 31 0.703 -3.023 0.285 1.00 0.00 C ATOM 464 CG PHE A 31 1.448 -2.336 1.410 1.00 0.00 C ATOM 465 CD1 PHE A 31 0.871 -2.234 2.684 1.00 0.00 C ATOM 466 CD2 PHE A 31 2.717 -1.792 1.173 1.00 0.00 C ATOM 467 CE1 PHE A 31 1.563 -1.591 3.717 1.00 0.00 C ATOM 468 CE2 PHE A 31 3.407 -1.149 2.206 1.00 0.00 C ATOM 469 CZ PHE A 31 2.830 -1.048 3.478 1.00 0.00 C ATOM 0 H PHE A 31 2.129 -4.951 0.044 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.129 -4.360 1.795 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.361 -3.148 -0.575 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.133 -2.404 -0.040 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -0.108 -2.652 2.868 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.163 -1.869 0.192 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.119 -1.514 4.698 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.385 -0.730 2.022 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.363 -0.551 4.275 1.00 0.00 H new ATOM 479 N LYS A 32 -0.791 -5.310 -1.270 1.00 0.00 N ATOM 480 CA LYS A 32 -1.931 -5.758 -2.127 1.00 0.00 C ATOM 481 C LYS A 32 -2.663 -6.910 -1.436 1.00 0.00 C ATOM 482 O LYS A 32 -3.877 -6.926 -1.352 1.00 0.00 O ATOM 483 CB LYS A 32 -1.300 -6.230 -3.438 1.00 0.00 C ATOM 484 CG LYS A 32 -2.400 -6.562 -4.449 1.00 0.00 C ATOM 485 CD LYS A 32 -1.774 -7.196 -5.696 1.00 0.00 C ATOM 486 CE LYS A 32 -2.502 -6.699 -6.949 1.00 0.00 C ATOM 487 NZ LYS A 32 -2.032 -7.588 -8.049 1.00 0.00 N ATOM 0 H LYS A 32 0.134 -5.418 -1.687 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.657 -4.964 -2.302 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.647 -5.455 -3.838 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.680 -7.108 -3.259 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.123 -7.246 -4.004 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -2.943 -5.657 -4.722 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.716 -6.941 -5.753 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -1.837 -8.282 -5.634 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.583 -6.761 -6.827 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.263 -5.656 -7.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.488 -7.308 -8.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -1.000 -7.503 -8.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.279 -8.574 -7.828 1.00 0.00 H new ATOM 501 N GLN A 33 -1.925 -7.866 -0.924 1.00 0.00 N ATOM 502 CA GLN A 33 -2.566 -9.015 -0.213 1.00 0.00 C ATOM 503 C GLN A 33 -3.349 -8.499 0.995 1.00 0.00 C ATOM 504 O GLN A 33 -4.352 -9.060 1.391 1.00 0.00 O ATOM 505 CB GLN A 33 -1.409 -9.915 0.231 1.00 0.00 C ATOM 506 CG GLN A 33 -1.968 -11.191 0.865 1.00 0.00 C ATOM 507 CD GLN A 33 -2.684 -12.020 -0.204 1.00 0.00 C ATOM 508 OE1 GLN A 33 -2.056 -12.753 -0.942 1.00 0.00 O ATOM 509 NE2 GLN A 33 -3.981 -11.934 -0.318 1.00 0.00 N ATOM 0 H GLN A 33 -0.907 -7.899 -0.968 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.269 -9.557 -0.845 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.781 -10.166 -0.624 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.778 -9.387 0.946 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.161 -11.772 1.311 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.660 -10.938 1.668 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -4.508 -11.319 0.302 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -4.468 -12.482 -1.027 1.00 0.00 H new ATOM 518 N TYR A 34 -2.896 -7.417 1.558 1.00 0.00 N ATOM 519 CA TYR A 34 -3.598 -6.811 2.729 1.00 0.00 C ATOM 520 C TYR A 34 -4.900 -6.159 2.234 1.00 0.00 C ATOM 521 O TYR A 34 -5.985 -6.505 2.663 1.00 0.00 O ATOM 522 CB TYR A 34 -2.584 -5.779 3.287 1.00 0.00 C ATOM 523 CG TYR A 34 -3.277 -4.596 3.931 1.00 0.00 C ATOM 524 CD1 TYR A 34 -3.748 -4.696 5.240 1.00 0.00 C ATOM 525 CD2 TYR A 34 -3.445 -3.408 3.211 1.00 0.00 C ATOM 526 CE1 TYR A 34 -4.392 -3.605 5.837 1.00 0.00 C ATOM 527 CE2 TYR A 34 -4.087 -2.316 3.803 1.00 0.00 C ATOM 528 CZ TYR A 34 -4.561 -2.413 5.117 1.00 0.00 C ATOM 529 OH TYR A 34 -5.195 -1.338 5.704 1.00 0.00 O ATOM 0 H TYR A 34 -2.059 -6.918 1.256 1.00 0.00 H new ATOM 0 HA TYR A 34 -3.886 -7.521 3.504 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -1.938 -6.264 4.019 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.942 -5.428 2.479 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -3.616 -5.614 5.793 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -3.079 -3.334 2.198 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -4.758 -3.681 6.850 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -4.217 -1.399 3.248 1.00 0.00 H new ATOM 0 HH TYR A 34 -5.041 -1.356 6.672 1.00 0.00 H new ATOM 539 N ALA A 35 -4.785 -5.219 1.333 1.00 0.00 N ATOM 540 CA ALA A 35 -5.997 -4.531 0.795 1.00 0.00 C ATOM 541 C ALA A 35 -6.919 -5.543 0.111 1.00 0.00 C ATOM 542 O ALA A 35 -8.108 -5.584 0.363 1.00 0.00 O ATOM 543 CB ALA A 35 -5.462 -3.526 -0.226 1.00 0.00 C ATOM 0 H ALA A 35 -3.899 -4.896 0.944 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.578 -4.047 1.580 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.294 -2.978 -0.668 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.790 -2.826 0.270 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.920 -4.056 -1.009 1.00 0.00 H new ATOM 549 N ASN A 36 -6.374 -6.358 -0.758 1.00 0.00 N ATOM 550 CA ASN A 36 -7.204 -7.374 -1.474 1.00 0.00 C ATOM 551 C ASN A 36 -7.943 -8.271 -0.474 1.00 0.00 C ATOM 552 O ASN A 36 -9.045 -8.719 -0.728 1.00 0.00 O ATOM 553 CB ASN A 36 -6.211 -8.197 -2.297 1.00 0.00 C ATOM 554 CG ASN A 36 -6.975 -9.094 -3.273 1.00 0.00 C ATOM 555 OD1 ASN A 36 -7.243 -8.703 -4.392 1.00 0.00 O ATOM 556 ND2 ASN A 36 -7.339 -10.288 -2.894 1.00 0.00 N ATOM 0 H ASN A 36 -5.384 -6.363 -1.003 1.00 0.00 H new ATOM 0 HA ASN A 36 -7.965 -6.907 -2.099 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.540 -7.535 -2.844 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.591 -8.805 -1.637 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.849 -10.894 -3.537 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -7.114 -10.616 -1.955 1.00 0.00 H new ATOM 563 N ASP A 37 -7.342 -8.531 0.659 1.00 0.00 N ATOM 564 CA ASP A 37 -8.003 -9.396 1.683 1.00 0.00 C ATOM 565 C ASP A 37 -9.063 -8.594 2.441 1.00 0.00 C ATOM 566 O ASP A 37 -10.066 -9.129 2.876 1.00 0.00 O ATOM 567 CB ASP A 37 -6.881 -9.829 2.627 1.00 0.00 C ATOM 568 CG ASP A 37 -7.437 -10.801 3.669 1.00 0.00 C ATOM 569 OD1 ASP A 37 -7.950 -11.834 3.272 1.00 0.00 O ATOM 570 OD2 ASP A 37 -7.341 -10.495 4.846 1.00 0.00 O ATOM 0 H ASP A 37 -6.420 -8.181 0.920 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.508 -10.252 1.236 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.079 -10.305 2.062 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.450 -8.958 3.120 1.00 0.00 H new ATOM 575 N ASN A 38 -8.846 -7.313 2.598 1.00 0.00 N ATOM 576 CA ASN A 38 -9.835 -6.462 3.325 1.00 0.00 C ATOM 577 C ASN A 38 -10.953 -6.029 2.374 1.00 0.00 C ATOM 578 O ASN A 38 -12.123 -6.122 2.694 1.00 0.00 O ATOM 579 CB ASN A 38 -9.038 -5.248 3.802 1.00 0.00 C ATOM 580 CG ASN A 38 -8.234 -5.621 5.048 1.00 0.00 C ATOM 581 OD1 ASN A 38 -8.503 -5.132 6.128 1.00 0.00 O ATOM 582 ND2 ASN A 38 -7.251 -6.473 4.944 1.00 0.00 N ATOM 0 H ASN A 38 -8.023 -6.819 2.253 1.00 0.00 H new ATOM 0 HA ASN A 38 -10.307 -6.990 4.154 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -8.368 -4.907 3.013 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -9.713 -4.422 4.026 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -6.708 -6.729 5.769 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -7.025 -6.883 4.038 1.00 0.00 H new ATOM 589 N GLY A 39 -10.597 -5.559 1.205 1.00 0.00 N ATOM 590 CA GLY A 39 -11.629 -5.118 0.223 1.00 0.00 C ATOM 591 C GLY A 39 -11.295 -3.711 -0.275 1.00 0.00 C ATOM 592 O GLY A 39 -12.140 -2.836 -0.296 1.00 0.00 O ATOM 0 H GLY A 39 -9.632 -5.462 0.889 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.667 -5.812 -0.616 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.615 -5.126 0.688 1.00 0.00 H new ATOM 596 N ILE A 40 -10.068 -3.488 -0.678 1.00 0.00 N ATOM 597 CA ILE A 40 -9.675 -2.136 -1.178 1.00 0.00 C ATOM 598 C ILE A 40 -9.273 -2.209 -2.656 1.00 0.00 C ATOM 599 O ILE A 40 -8.173 -1.844 -3.027 1.00 0.00 O ATOM 600 CB ILE A 40 -8.489 -1.709 -0.303 1.00 0.00 C ATOM 601 CG1 ILE A 40 -8.954 -1.624 1.158 1.00 0.00 C ATOM 602 CG2 ILE A 40 -7.971 -0.336 -0.758 1.00 0.00 C ATOM 603 CD1 ILE A 40 -7.773 -1.278 2.075 1.00 0.00 C ATOM 0 H ILE A 40 -9.323 -4.184 -0.682 1.00 0.00 H new ATOM 0 HA ILE A 40 -10.495 -1.420 -1.115 1.00 0.00 H new ATOM 0 HB ILE A 40 -7.685 -2.439 -0.396 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -9.732 -0.867 1.255 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -9.393 -2.574 1.463 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -7.129 -0.039 -0.132 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -7.648 -0.395 -1.797 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -8.768 0.402 -0.668 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -8.118 -1.221 3.107 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -7.008 -2.050 1.990 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -7.353 -0.317 1.780 1.00 0.00 H new ATOM 615 N ASP A 41 -10.165 -2.659 -3.503 1.00 0.00 N ATOM 616 CA ASP A 41 -9.846 -2.733 -4.961 1.00 0.00 C ATOM 617 C ASP A 41 -10.043 -1.348 -5.586 1.00 0.00 C ATOM 618 O ASP A 41 -10.864 -1.161 -6.464 1.00 0.00 O ATOM 619 CB ASP A 41 -10.834 -3.750 -5.550 1.00 0.00 C ATOM 620 CG ASP A 41 -12.276 -3.292 -5.303 1.00 0.00 C ATOM 621 OD1 ASP A 41 -12.659 -3.201 -4.148 1.00 0.00 O ATOM 622 OD2 ASP A 41 -12.971 -3.042 -6.274 1.00 0.00 O ATOM 0 H ASP A 41 -11.100 -2.978 -3.248 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.817 -3.037 -5.153 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -10.658 -3.861 -6.620 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -10.673 -4.728 -5.097 1.00 0.00 H new ATOM 627 N GLY A 42 -9.305 -0.376 -5.116 1.00 0.00 N ATOM 628 CA GLY A 42 -9.444 1.010 -5.644 1.00 0.00 C ATOM 629 C GLY A 42 -8.464 1.241 -6.790 1.00 0.00 C ATOM 630 O GLY A 42 -8.243 0.380 -7.621 1.00 0.00 O ATOM 0 H GLY A 42 -8.606 -0.487 -4.382 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.464 1.174 -5.991 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.259 1.730 -4.847 1.00 0.00 H new ATOM 634 N GLU A 43 -7.868 2.403 -6.826 1.00 0.00 N ATOM 635 CA GLU A 43 -6.890 2.723 -7.888 1.00 0.00 C ATOM 636 C GLU A 43 -5.518 2.896 -7.252 1.00 0.00 C ATOM 637 O GLU A 43 -5.283 3.832 -6.510 1.00 0.00 O ATOM 638 CB GLU A 43 -7.375 4.033 -8.511 1.00 0.00 C ATOM 639 CG GLU A 43 -8.610 3.765 -9.373 1.00 0.00 C ATOM 640 CD GLU A 43 -9.295 5.091 -9.706 1.00 0.00 C ATOM 641 OE1 GLU A 43 -9.794 5.724 -8.791 1.00 0.00 O ATOM 642 OE2 GLU A 43 -9.310 5.451 -10.872 1.00 0.00 O ATOM 0 H GLU A 43 -8.025 3.151 -6.150 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.810 1.941 -8.644 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.615 4.753 -7.728 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -6.584 4.474 -9.118 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.322 3.251 -10.290 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.301 3.109 -8.844 1.00 0.00 H new ATOM 649 N TRP A 44 -4.627 1.978 -7.503 1.00 0.00 N ATOM 650 CA TRP A 44 -3.285 2.054 -6.881 1.00 0.00 C ATOM 651 C TRP A 44 -2.362 3.024 -7.606 1.00 0.00 C ATOM 652 O TRP A 44 -2.359 3.131 -8.817 1.00 0.00 O ATOM 653 CB TRP A 44 -2.739 0.635 -6.939 1.00 0.00 C ATOM 654 CG TRP A 44 -3.457 -0.170 -5.915 1.00 0.00 C ATOM 655 CD1 TRP A 44 -4.716 -0.647 -6.048 1.00 0.00 C ATOM 656 CD2 TRP A 44 -2.999 -0.574 -4.596 1.00 0.00 C ATOM 657 NE1 TRP A 44 -5.057 -1.324 -4.893 1.00 0.00 N ATOM 658 CE2 TRP A 44 -4.031 -1.306 -3.969 1.00 0.00 C ATOM 659 CE3 TRP A 44 -1.798 -0.380 -3.891 1.00 0.00 C ATOM 660 CZ2 TRP A 44 -3.880 -1.826 -2.688 1.00 0.00 C ATOM 661 CZ3 TRP A 44 -1.641 -0.904 -2.598 1.00 0.00 C ATOM 662 CH2 TRP A 44 -2.681 -1.625 -1.997 1.00 0.00 C ATOM 0 H TRP A 44 -4.776 1.176 -8.116 1.00 0.00 H new ATOM 0 HA TRP A 44 -3.349 2.433 -5.861 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.886 0.209 -7.932 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -1.666 0.630 -6.746 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -5.349 -0.520 -6.913 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -5.956 -1.781 -4.741 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -0.992 0.175 -4.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -4.684 -2.382 -2.229 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.715 -0.751 -2.064 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -2.557 -2.025 -1.002 1.00 0.00 H new ATOM 673 N THR A 45 -1.563 3.711 -6.845 1.00 0.00 N ATOM 674 CA THR A 45 -0.591 4.676 -7.416 1.00 0.00 C ATOM 675 C THR A 45 0.582 4.794 -6.451 1.00 0.00 C ATOM 676 O THR A 45 0.400 4.959 -5.258 1.00 0.00 O ATOM 677 CB THR A 45 -1.334 6.004 -7.529 1.00 0.00 C ATOM 678 OG1 THR A 45 -2.100 6.221 -6.353 1.00 0.00 O ATOM 679 CG2 THR A 45 -2.258 5.974 -8.747 1.00 0.00 C ATOM 0 H THR A 45 -1.543 3.642 -5.828 1.00 0.00 H new ATOM 0 HA THR A 45 -0.208 4.369 -8.389 1.00 0.00 H new ATOM 0 HB THR A 45 -0.613 6.813 -7.645 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.576 7.075 -6.425 1.00 0.00 H new ATOM 0 HG21 THR A 45 -2.787 6.924 -8.825 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.667 5.813 -9.648 1.00 0.00 H new ATOM 0 HG23 THR A 45 -2.979 5.164 -8.637 1.00 0.00 H new ATOM 687 N TYR A 46 1.777 4.686 -6.951 1.00 0.00 N ATOM 688 CA TYR A 46 2.971 4.763 -6.063 1.00 0.00 C ATOM 689 C TYR A 46 3.618 6.152 -6.178 1.00 0.00 C ATOM 690 O TYR A 46 3.900 6.629 -7.261 1.00 0.00 O ATOM 691 CB TYR A 46 3.888 3.639 -6.588 1.00 0.00 C ATOM 692 CG TYR A 46 5.314 3.802 -6.099 1.00 0.00 C ATOM 693 CD1 TYR A 46 6.216 4.576 -6.838 1.00 0.00 C ATOM 694 CD2 TYR A 46 5.735 3.169 -4.923 1.00 0.00 C ATOM 695 CE1 TYR A 46 7.536 4.719 -6.402 1.00 0.00 C ATOM 696 CE2 TYR A 46 7.056 3.310 -4.489 1.00 0.00 C ATOM 697 CZ TYR A 46 7.957 4.086 -5.229 1.00 0.00 C ATOM 698 OH TYR A 46 9.262 4.224 -4.808 1.00 0.00 O ATOM 0 H TYR A 46 1.982 4.547 -7.940 1.00 0.00 H new ATOM 0 HA TYR A 46 2.747 4.634 -5.004 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.501 2.673 -6.264 1.00 0.00 H new ATOM 0 HB3 TYR A 46 3.875 3.639 -7.678 1.00 0.00 H new ATOM 0 HD1 TYR A 46 5.892 5.063 -7.746 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.039 2.572 -4.352 1.00 0.00 H new ATOM 0 HE1 TYR A 46 8.231 5.319 -6.971 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.382 2.821 -3.583 1.00 0.00 H new ATOM 0 HH TYR A 46 9.599 5.106 -5.071 1.00 0.00 H new ATOM 708 N ASP A 47 3.855 6.792 -5.062 1.00 0.00 N ATOM 709 CA ASP A 47 4.487 8.144 -5.087 1.00 0.00 C ATOM 710 C ASP A 47 5.998 8.016 -4.884 1.00 0.00 C ATOM 711 O ASP A 47 6.461 7.671 -3.813 1.00 0.00 O ATOM 712 CB ASP A 47 3.850 8.902 -3.922 1.00 0.00 C ATOM 713 CG ASP A 47 2.592 9.625 -4.408 1.00 0.00 C ATOM 714 OD1 ASP A 47 2.724 10.508 -5.240 1.00 0.00 O ATOM 715 OD2 ASP A 47 1.519 9.284 -3.939 1.00 0.00 O ATOM 0 H ASP A 47 3.637 6.435 -4.132 1.00 0.00 H new ATOM 0 HA ASP A 47 4.333 8.658 -6.036 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.597 8.210 -3.119 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.559 9.621 -3.511 1.00 0.00 H new ATOM 720 N ASP A 48 6.765 8.290 -5.909 1.00 0.00 N ATOM 721 CA ASP A 48 8.251 8.186 -5.789 1.00 0.00 C ATOM 722 C ASP A 48 8.801 9.296 -4.881 1.00 0.00 C ATOM 723 O ASP A 48 9.875 9.174 -4.324 1.00 0.00 O ATOM 724 CB ASP A 48 8.783 8.333 -7.223 1.00 0.00 C ATOM 725 CG ASP A 48 8.432 9.716 -7.793 1.00 0.00 C ATOM 726 OD1 ASP A 48 7.489 10.321 -7.309 1.00 0.00 O ATOM 727 OD2 ASP A 48 9.116 10.145 -8.708 1.00 0.00 O ATOM 0 H ASP A 48 6.425 8.582 -6.825 1.00 0.00 H new ATOM 0 HA ASP A 48 8.559 7.242 -5.340 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.864 8.194 -7.231 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.357 7.554 -7.856 1.00 0.00 H new ATOM 732 N ALA A 49 8.073 10.378 -4.734 1.00 0.00 N ATOM 733 CA ALA A 49 8.548 11.502 -3.869 1.00 0.00 C ATOM 734 C ALA A 49 8.872 11.006 -2.455 1.00 0.00 C ATOM 735 O ALA A 49 9.838 11.430 -1.848 1.00 0.00 O ATOM 736 CB ALA A 49 7.387 12.498 -3.828 1.00 0.00 C ATOM 0 H ALA A 49 7.167 10.530 -5.178 1.00 0.00 H new ATOM 0 HA ALA A 49 9.461 11.950 -4.261 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.662 13.352 -3.210 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.164 12.839 -4.839 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.507 12.013 -3.406 1.00 0.00 H new ATOM 742 N THR A 50 8.070 10.114 -1.929 1.00 0.00 N ATOM 743 CA THR A 50 8.327 9.590 -0.552 1.00 0.00 C ATOM 744 C THR A 50 7.917 8.115 -0.440 1.00 0.00 C ATOM 745 O THR A 50 7.722 7.604 0.645 1.00 0.00 O ATOM 746 CB THR A 50 7.461 10.456 0.365 1.00 0.00 C ATOM 747 OG1 THR A 50 6.100 10.344 -0.028 1.00 0.00 O ATOM 748 CG2 THR A 50 7.905 11.916 0.263 1.00 0.00 C ATOM 0 H THR A 50 7.249 9.726 -2.393 1.00 0.00 H new ATOM 0 HA THR A 50 9.384 9.637 -0.291 1.00 0.00 H new ATOM 0 HB THR A 50 7.572 10.117 1.395 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.543 10.897 0.559 1.00 0.00 H new ATOM 0 HG21 THR A 50 7.287 12.531 0.917 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.949 12.001 0.565 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.796 12.258 -0.766 1.00 0.00 H new ATOM 756 N LYS A 51 7.790 7.424 -1.552 1.00 0.00 N ATOM 757 CA LYS A 51 7.398 5.974 -1.514 1.00 0.00 C ATOM 758 C LYS A 51 6.129 5.770 -0.674 1.00 0.00 C ATOM 759 O LYS A 51 6.192 5.647 0.535 1.00 0.00 O ATOM 760 CB LYS A 51 8.589 5.249 -0.869 1.00 0.00 C ATOM 761 CG LYS A 51 9.301 4.387 -1.914 1.00 0.00 C ATOM 762 CD LYS A 51 10.450 5.184 -2.537 1.00 0.00 C ATOM 763 CE LYS A 51 11.518 5.460 -1.478 1.00 0.00 C ATOM 764 NZ LYS A 51 12.808 5.431 -2.222 1.00 0.00 N ATOM 0 H LYS A 51 7.941 7.803 -2.487 1.00 0.00 H new ATOM 0 HA LYS A 51 7.176 5.593 -2.511 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.284 5.976 -0.449 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.243 4.625 -0.045 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.684 3.478 -1.451 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.597 4.079 -2.687 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.883 4.627 -3.368 1.00 0.00 H new ATOM 0 HD3 LYS A 51 10.076 6.123 -2.943 1.00 0.00 H new ATOM 0 HE2 LYS A 51 11.359 6.426 -0.999 1.00 0.00 H new ATOM 0 HE3 LYS A 51 11.498 4.706 -0.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 13.593 5.612 -1.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.934 4.497 -2.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.799 6.163 -2.960 1.00 0.00 H new ATOM 778 N THR A 52 4.984 5.728 -1.307 1.00 0.00 N ATOM 779 CA THR A 52 3.715 5.528 -0.544 1.00 0.00 C ATOM 780 C THR A 52 2.611 4.994 -1.461 1.00 0.00 C ATOM 781 O THR A 52 2.057 5.721 -2.265 1.00 0.00 O ATOM 782 CB THR A 52 3.348 6.918 -0.017 1.00 0.00 C ATOM 783 OG1 THR A 52 4.422 7.425 0.763 1.00 0.00 O ATOM 784 CG2 THR A 52 2.084 6.829 0.846 1.00 0.00 C ATOM 0 H THR A 52 4.873 5.823 -2.316 1.00 0.00 H new ATOM 0 HA THR A 52 3.832 4.801 0.259 1.00 0.00 H new ATOM 0 HB THR A 52 3.161 7.585 -0.858 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.999 6.685 1.045 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.827 7.821 1.219 1.00 0.00 H new ATOM 0 HG22 THR A 52 1.260 6.442 0.246 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.265 6.161 1.688 1.00 0.00 H new ATOM 792 N PHE A 53 2.274 3.734 -1.330 1.00 0.00 N ATOM 793 CA PHE A 53 1.186 3.155 -2.179 1.00 0.00 C ATOM 794 C PHE A 53 -0.131 3.859 -1.849 1.00 0.00 C ATOM 795 O PHE A 53 -0.490 3.998 -0.694 1.00 0.00 O ATOM 796 CB PHE A 53 1.116 1.674 -1.797 1.00 0.00 C ATOM 797 CG PHE A 53 2.293 0.943 -2.388 1.00 0.00 C ATOM 798 CD1 PHE A 53 3.508 0.898 -1.695 1.00 0.00 C ATOM 799 CD2 PHE A 53 2.169 0.310 -3.627 1.00 0.00 C ATOM 800 CE1 PHE A 53 4.601 0.218 -2.242 1.00 0.00 C ATOM 801 CE2 PHE A 53 3.262 -0.370 -4.178 1.00 0.00 C ATOM 802 CZ PHE A 53 4.479 -0.416 -3.485 1.00 0.00 C ATOM 0 H PHE A 53 2.704 3.083 -0.673 1.00 0.00 H new ATOM 0 HA PHE A 53 1.372 3.279 -3.246 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.116 1.568 -0.712 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.185 1.238 -2.160 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.602 1.389 -0.737 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.230 0.345 -4.160 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.538 0.182 -1.706 1.00 0.00 H new ATOM 0 HE2 PHE A 53 3.167 -0.859 -5.136 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.323 -0.940 -3.909 1.00 0.00 H new ATOM 812 N THR A 54 -0.836 4.334 -2.844 1.00 0.00 N ATOM 813 CA THR A 54 -2.117 5.062 -2.563 1.00 0.00 C ATOM 814 C THR A 54 -3.320 4.430 -3.285 1.00 0.00 C ATOM 815 O THR A 54 -3.480 4.582 -4.481 1.00 0.00 O ATOM 816 CB THR A 54 -1.868 6.477 -3.089 1.00 0.00 C ATOM 817 OG1 THR A 54 -0.705 7.011 -2.471 1.00 0.00 O ATOM 818 CG2 THR A 54 -3.070 7.371 -2.774 1.00 0.00 C ATOM 0 H THR A 54 -0.586 4.252 -3.830 1.00 0.00 H new ATOM 0 HA THR A 54 -2.366 5.031 -1.502 1.00 0.00 H new ATOM 0 HB THR A 54 -1.726 6.439 -4.169 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.542 7.917 -2.808 1.00 0.00 H new ATOM 0 HG21 THR A 54 -2.885 8.376 -3.152 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.962 6.963 -3.250 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.221 7.411 -1.695 1.00 0.00 H new ATOM 826 N VAL A 55 -4.189 3.758 -2.557 1.00 0.00 N ATOM 827 CA VAL A 55 -5.401 3.164 -3.189 1.00 0.00 C ATOM 828 C VAL A 55 -6.650 3.920 -2.710 1.00 0.00 C ATOM 829 O VAL A 55 -6.595 4.685 -1.765 1.00 0.00 O ATOM 830 CB VAL A 55 -5.456 1.682 -2.768 1.00 0.00 C ATOM 831 CG1 VAL A 55 -5.728 1.554 -1.271 1.00 0.00 C ATOM 832 CG2 VAL A 55 -6.579 0.983 -3.537 1.00 0.00 C ATOM 0 H VAL A 55 -4.104 3.600 -1.553 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.363 3.240 -4.276 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.494 1.220 -2.993 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.763 0.500 -0.996 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.933 2.048 -0.713 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.683 2.022 -1.033 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.623 -0.066 -3.243 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.530 1.464 -3.309 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.385 1.052 -4.607 1.00 0.00 H new ATOM 842 N THR A 56 -7.765 3.705 -3.353 1.00 0.00 N ATOM 843 CA THR A 56 -9.021 4.403 -2.954 1.00 0.00 C ATOM 844 C THR A 56 -10.239 3.666 -3.530 1.00 0.00 C ATOM 845 O THR A 56 -10.410 3.587 -4.732 1.00 0.00 O ATOM 846 CB THR A 56 -8.888 5.793 -3.580 1.00 0.00 C ATOM 847 OG1 THR A 56 -7.766 6.460 -3.020 1.00 0.00 O ATOM 848 CG2 THR A 56 -10.152 6.618 -3.318 1.00 0.00 C ATOM 0 H THR A 56 -7.861 3.070 -4.145 1.00 0.00 H new ATOM 0 HA THR A 56 -9.161 4.444 -1.874 1.00 0.00 H new ATOM 0 HB THR A 56 -8.753 5.683 -4.656 1.00 0.00 H new ATOM 0 HG1 THR A 56 -7.471 5.985 -2.215 1.00 0.00 H new ATOM 0 HG21 THR A 56 -10.043 7.604 -3.769 1.00 0.00 H new ATOM 0 HG22 THR A 56 -11.013 6.113 -3.755 1.00 0.00 H new ATOM 0 HG23 THR A 56 -10.300 6.725 -2.243 1.00 0.00 H new ATOM 856 N GLU A 57 -11.086 3.137 -2.683 1.00 0.00 N ATOM 857 CA GLU A 57 -12.297 2.410 -3.182 1.00 0.00 C ATOM 858 C GLU A 57 -13.189 3.354 -3.995 1.00 0.00 C ATOM 859 O GLU A 57 -12.743 4.448 -4.299 1.00 0.00 O ATOM 860 CB GLU A 57 -13.033 1.933 -1.928 1.00 0.00 C ATOM 861 CG GLU A 57 -12.551 0.531 -1.553 1.00 0.00 C ATOM 862 CD GLU A 57 -13.065 -0.477 -2.583 1.00 0.00 C ATOM 863 OE1 GLU A 57 -14.150 -0.997 -2.384 1.00 0.00 O ATOM 864 OE2 GLU A 57 -12.364 -0.712 -3.554 1.00 0.00 O ATOM 865 OXT GLU A 57 -14.305 2.966 -4.298 1.00 0.00 O ATOM 0 H GLU A 57 -10.993 3.176 -1.668 1.00 0.00 H new ATOM 0 HA GLU A 57 -12.029 1.580 -3.836 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.853 2.623 -1.104 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -14.108 1.923 -2.107 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -11.462 0.507 -1.517 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.909 0.266 -0.558 1.00 0.00 H new TER 872 GLU A 57