USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 621 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -169:sc= -0.0229 (180deg=-0.214) USER MOD Single : A 1 MET N :NH3+ 146:sc= 1.71 (180deg=1.38) USER MOD Single : A 4 THR OG1 : rot 81:sc= 1.27 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 177:sc= -0.966 (180deg=-1) USER MOD Single : A 31 LYS NZ :NH3+ 148:sc= 0.375 (180deg=-2.01) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0125 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 159:sc=-0.00903 USER MOD Single : A 44 MET CE :methyl -157:sc= -3.04 (180deg=-3.51!) USER MOD Single : A 58 LYS NZ :NH3+ 158:sc= 0.828 (180deg=0.644) USER MOD Single : A 65 LYS NZ :NH3+ -166:sc= 1 (180deg=0.99) USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.335 USER MOD Single : A 74 THR OG1 : rot -168:sc= -1.76! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HE2:sc= 0.844 K(o=0.84,f=-2.6!) USER MOD Single : A 81 GLN :FLIP amide:sc= -0.204 F(o=-0.82,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.892 -1.597 3.726 1.00 0.00 N ATOM 2 CA MET A 1 15.452 -2.831 3.135 1.00 0.00 C ATOM 3 C MET A 1 14.608 -3.267 1.948 1.00 0.00 C ATOM 4 O MET A 1 13.385 -3.135 1.964 1.00 0.00 O ATOM 5 CB MET A 1 15.535 -3.954 4.178 1.00 0.00 C ATOM 6 CG MET A 1 16.535 -3.678 5.292 1.00 0.00 C ATOM 7 SD MET A 1 16.810 -5.108 6.362 1.00 0.00 S ATOM 8 CE MET A 1 15.179 -5.348 7.065 1.00 0.00 C ATOM 0 H1 MET A 1 15.039 -1.607 4.755 1.00 0.00 H new ATOM 0 H2 MET A 1 15.369 -0.769 3.316 1.00 0.00 H new ATOM 0 H3 MET A 1 13.873 -1.546 3.522 1.00 0.00 H new ATOM 0 HA MET A 1 16.465 -2.620 2.791 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.548 -4.105 4.616 1.00 0.00 H new ATOM 0 HB3 MET A 1 15.808 -4.883 3.678 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.484 -3.371 4.853 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.178 -2.843 5.895 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.238 -6.064 7.885 1.00 0.00 H new ATOM 0 HE2 MET A 1 14.801 -4.397 7.440 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.505 -5.729 6.298 1.00 0.00 H new ATOM 20 N ALA A 2 15.266 -3.795 0.926 1.00 0.00 N ATOM 21 CA ALA A 2 14.605 -4.120 -0.330 1.00 0.00 C ATOM 22 C ALA A 2 13.762 -5.389 -0.224 1.00 0.00 C ATOM 23 O ALA A 2 14.285 -6.488 -0.026 1.00 0.00 O ATOM 24 CB ALA A 2 15.636 -4.264 -1.438 1.00 0.00 C ATOM 0 H ALA A 2 16.263 -4.009 0.943 1.00 0.00 H new ATOM 0 HA ALA A 2 13.928 -3.300 -0.567 1.00 0.00 H new ATOM 0 HB1 ALA A 2 15.133 -4.507 -2.374 1.00 0.00 H new ATOM 0 HB2 ALA A 2 16.181 -3.327 -1.552 1.00 0.00 H new ATOM 0 HB3 ALA A 2 16.334 -5.061 -1.184 1.00 0.00 H new ATOM 30 N ALA A 3 12.454 -5.223 -0.349 1.00 0.00 N ATOM 31 CA ALA A 3 11.530 -6.347 -0.391 1.00 0.00 C ATOM 32 C ALA A 3 10.862 -6.398 -1.755 1.00 0.00 C ATOM 33 O ALA A 3 10.625 -5.355 -2.368 1.00 0.00 O ATOM 34 CB ALA A 3 10.483 -6.229 0.708 1.00 0.00 C ATOM 0 H ALA A 3 12.005 -4.310 -0.424 1.00 0.00 H new ATOM 0 HA ALA A 3 12.087 -7.269 -0.225 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.804 -7.080 0.656 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.976 -6.216 1.680 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.919 -5.306 0.575 1.00 0.00 H new ATOM 40 N THR A 4 10.563 -7.591 -2.240 1.00 0.00 N ATOM 41 CA THR A 4 9.931 -7.723 -3.538 1.00 0.00 C ATOM 42 C THR A 4 8.410 -7.672 -3.395 1.00 0.00 C ATOM 43 O THR A 4 7.898 -7.373 -2.313 1.00 0.00 O ATOM 44 CB THR A 4 10.370 -9.014 -4.249 1.00 0.00 C ATOM 45 OG1 THR A 4 11.668 -9.403 -3.776 1.00 0.00 O ATOM 46 CG2 THR A 4 10.438 -8.785 -5.752 1.00 0.00 C ATOM 0 H THR A 4 10.746 -8.472 -1.760 1.00 0.00 H new ATOM 0 HA THR A 4 10.252 -6.884 -4.156 1.00 0.00 H new ATOM 0 HB THR A 4 9.645 -9.799 -4.035 1.00 0.00 H new ATOM 0 HG1 THR A 4 11.577 -9.876 -2.923 1.00 0.00 H new ATOM 0 HG21 THR A 4 10.750 -9.705 -6.246 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.455 -8.490 -6.120 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.158 -7.995 -5.968 1.00 0.00 H new ATOM 54 N GLN A 5 7.700 -7.984 -4.476 1.00 0.00 N ATOM 55 CA GLN A 5 6.263 -7.754 -4.559 1.00 0.00 C ATOM 56 C GLN A 5 5.499 -8.465 -3.447 1.00 0.00 C ATOM 57 O GLN A 5 4.794 -7.821 -2.683 1.00 0.00 O ATOM 58 CB GLN A 5 5.736 -8.202 -5.919 1.00 0.00 C ATOM 59 CG GLN A 5 4.360 -7.646 -6.237 1.00 0.00 C ATOM 60 CD GLN A 5 3.816 -8.163 -7.552 1.00 0.00 C ATOM 61 OE1 GLN A 5 4.072 -7.593 -8.610 1.00 0.00 O ATOM 62 NE2 GLN A 5 3.039 -9.231 -7.492 1.00 0.00 N ATOM 0 H GLN A 5 8.103 -8.401 -5.315 1.00 0.00 H new ATOM 0 HA GLN A 5 6.100 -6.683 -4.436 1.00 0.00 H new ATOM 0 HB2 GLN A 5 6.436 -7.889 -6.694 1.00 0.00 H new ATOM 0 HB3 GLN A 5 5.696 -9.291 -5.946 1.00 0.00 H new ATOM 0 HG2 GLN A 5 3.671 -7.908 -5.434 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.410 -6.558 -6.271 1.00 0.00 H new ATOM 0 HE21 GLN A 5 2.851 -9.675 -6.593 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.628 -9.611 -8.345 1.00 0.00 H new ATOM 71 N GLU A 6 5.667 -9.779 -3.334 1.00 0.00 N ATOM 72 CA GLU A 6 4.894 -10.565 -2.372 1.00 0.00 C ATOM 73 C GLU A 6 5.266 -10.213 -0.932 1.00 0.00 C ATOM 74 O GLU A 6 4.412 -10.210 -0.046 1.00 0.00 O ATOM 75 CB GLU A 6 5.094 -12.061 -2.624 1.00 0.00 C ATOM 76 CG GLU A 6 6.525 -12.534 -2.439 1.00 0.00 C ATOM 77 CD GLU A 6 6.736 -13.934 -2.975 1.00 0.00 C ATOM 78 OE1 GLU A 6 6.882 -14.080 -4.208 1.00 0.00 O ATOM 79 OE2 GLU A 6 6.759 -14.890 -2.171 1.00 0.00 O ATOM 0 H GLU A 6 6.327 -10.321 -3.892 1.00 0.00 H new ATOM 0 HA GLU A 6 3.841 -10.320 -2.512 1.00 0.00 H new ATOM 0 HB2 GLU A 6 4.447 -12.622 -1.950 1.00 0.00 H new ATOM 0 HB3 GLU A 6 4.774 -12.294 -3.640 1.00 0.00 H new ATOM 0 HG2 GLU A 6 7.202 -11.846 -2.946 1.00 0.00 H new ATOM 0 HG3 GLU A 6 6.780 -12.510 -1.380 1.00 0.00 H new ATOM 86 N GLU A 7 6.535 -9.899 -0.717 1.00 0.00 N ATOM 87 CA GLU A 7 7.034 -9.546 0.606 1.00 0.00 C ATOM 88 C GLU A 7 6.391 -8.251 1.085 1.00 0.00 C ATOM 89 O GLU A 7 5.797 -8.190 2.170 1.00 0.00 O ATOM 90 CB GLU A 7 8.555 -9.397 0.558 1.00 0.00 C ATOM 91 CG GLU A 7 9.268 -10.660 0.098 1.00 0.00 C ATOM 92 CD GLU A 7 10.751 -10.457 -0.136 1.00 0.00 C ATOM 93 OE1 GLU A 7 11.125 -10.096 -1.271 1.00 0.00 O ATOM 94 OE2 GLU A 7 11.545 -10.680 0.798 1.00 0.00 O ATOM 0 H GLU A 7 7.245 -9.881 -1.449 1.00 0.00 H new ATOM 0 HA GLU A 7 6.775 -10.339 1.308 1.00 0.00 H new ATOM 0 HB2 GLU A 7 8.812 -8.578 -0.113 1.00 0.00 H new ATOM 0 HB3 GLU A 7 8.918 -9.123 1.549 1.00 0.00 H new ATOM 0 HG2 GLU A 7 9.128 -11.441 0.845 1.00 0.00 H new ATOM 0 HG3 GLU A 7 8.807 -11.015 -0.824 1.00 0.00 H new ATOM 101 N ILE A 8 6.488 -7.222 0.253 1.00 0.00 N ATOM 102 CA ILE A 8 5.940 -5.918 0.584 1.00 0.00 C ATOM 103 C ILE A 8 4.404 -5.972 0.556 1.00 0.00 C ATOM 104 O ILE A 8 3.744 -5.344 1.378 1.00 0.00 O ATOM 105 CB ILE A 8 6.507 -4.828 -0.372 1.00 0.00 C ATOM 106 CG1 ILE A 8 6.346 -3.407 0.206 1.00 0.00 C ATOM 107 CG2 ILE A 8 5.870 -4.924 -1.749 1.00 0.00 C ATOM 108 CD1 ILE A 8 4.946 -2.834 0.118 1.00 0.00 C ATOM 0 H ILE A 8 6.943 -7.268 -0.659 1.00 0.00 H new ATOM 0 HA ILE A 8 6.243 -5.645 1.595 1.00 0.00 H new ATOM 0 HB ILE A 8 7.576 -5.018 -0.472 1.00 0.00 H new ATOM 0 HG12 ILE A 8 6.652 -3.420 1.252 1.00 0.00 H new ATOM 0 HG13 ILE A 8 7.029 -2.739 -0.318 1.00 0.00 H new ATOM 0 HG21 ILE A 8 6.284 -4.151 -2.396 1.00 0.00 H new ATOM 0 HG22 ILE A 8 6.076 -5.905 -2.178 1.00 0.00 H new ATOM 0 HG23 ILE A 8 4.792 -4.785 -1.662 1.00 0.00 H new ATOM 0 HD11 ILE A 8 4.935 -1.833 0.550 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.639 -2.782 -0.927 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.256 -3.474 0.668 1.00 0.00 H new ATOM 120 N VAL A 9 3.845 -6.767 -0.359 1.00 0.00 N ATOM 121 CA VAL A 9 2.397 -6.963 -0.425 1.00 0.00 C ATOM 122 C VAL A 9 1.867 -7.549 0.878 1.00 0.00 C ATOM 123 O VAL A 9 0.832 -7.115 1.373 1.00 0.00 O ATOM 124 CB VAL A 9 1.994 -7.864 -1.625 1.00 0.00 C ATOM 125 CG1 VAL A 9 0.752 -8.691 -1.324 1.00 0.00 C ATOM 126 CG2 VAL A 9 1.743 -7.018 -2.864 1.00 0.00 C ATOM 0 H VAL A 9 4.372 -7.284 -1.063 1.00 0.00 H new ATOM 0 HA VAL A 9 1.945 -5.983 -0.576 1.00 0.00 H new ATOM 0 HB VAL A 9 2.825 -8.546 -1.804 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.506 -9.306 -2.190 1.00 0.00 H new ATOM 0 HG12 VAL A 9 0.942 -9.334 -0.465 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.083 -8.026 -1.102 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.462 -7.665 -3.695 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.937 -6.312 -2.665 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.650 -6.471 -3.121 1.00 0.00 H new ATOM 136 N ALA A 10 2.588 -8.512 1.442 1.00 0.00 N ATOM 137 CA ALA A 10 2.199 -9.105 2.714 1.00 0.00 C ATOM 138 C ALA A 10 2.142 -8.043 3.808 1.00 0.00 C ATOM 139 O ALA A 10 1.165 -7.961 4.556 1.00 0.00 O ATOM 140 CB ALA A 10 3.162 -10.217 3.102 1.00 0.00 C ATOM 0 H ALA A 10 3.442 -8.897 1.039 1.00 0.00 H new ATOM 0 HA ALA A 10 1.204 -9.535 2.600 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.855 -10.648 4.055 1.00 0.00 H new ATOM 0 HB2 ALA A 10 3.153 -10.991 2.334 1.00 0.00 H new ATOM 0 HB3 ALA A 10 4.169 -9.810 3.195 1.00 0.00 H new ATOM 146 N GLY A 11 3.182 -7.216 3.879 1.00 0.00 N ATOM 147 CA GLY A 11 3.218 -6.153 4.869 1.00 0.00 C ATOM 148 C GLY A 11 2.194 -5.060 4.601 1.00 0.00 C ATOM 149 O GLY A 11 1.689 -4.433 5.531 1.00 0.00 O ATOM 0 H GLY A 11 3.999 -7.263 3.270 1.00 0.00 H new ATOM 0 HA2 GLY A 11 3.039 -6.577 5.857 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.215 -5.713 4.887 1.00 0.00 H new ATOM 153 N LEU A 12 1.901 -4.832 3.328 1.00 0.00 N ATOM 154 CA LEU A 12 0.902 -3.851 2.923 1.00 0.00 C ATOM 155 C LEU A 12 -0.498 -4.379 3.258 1.00 0.00 C ATOM 156 O LEU A 12 -1.296 -3.700 3.905 1.00 0.00 O ATOM 157 CB LEU A 12 1.028 -3.583 1.413 1.00 0.00 C ATOM 158 CG LEU A 12 0.811 -2.133 0.942 1.00 0.00 C ATOM 159 CD1 LEU A 12 -0.549 -1.605 1.373 1.00 0.00 C ATOM 160 CD2 LEU A 12 1.925 -1.221 1.441 1.00 0.00 C ATOM 0 H LEU A 12 2.346 -5.319 2.550 1.00 0.00 H new ATOM 0 HA LEU A 12 1.064 -2.917 3.460 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.022 -3.898 1.094 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.310 -4.219 0.895 1.00 0.00 H new ATOM 0 HG LEU A 12 0.837 -2.138 -0.148 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.668 -0.579 1.024 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.334 -2.228 0.944 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.621 -1.629 2.460 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.746 -0.204 1.093 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.945 -1.234 2.531 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.883 -1.572 1.056 1.00 0.00 H new ATOM 172 N ALA A 13 -0.766 -5.612 2.829 1.00 0.00 N ATOM 173 CA ALA A 13 -2.046 -6.282 3.064 1.00 0.00 C ATOM 174 C ALA A 13 -2.401 -6.301 4.540 1.00 0.00 C ATOM 175 O ALA A 13 -3.511 -5.933 4.933 1.00 0.00 O ATOM 176 CB ALA A 13 -1.985 -7.712 2.543 1.00 0.00 C ATOM 0 H ALA A 13 -0.098 -6.178 2.306 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.816 -5.723 2.533 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.941 -8.205 2.721 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.776 -7.701 1.473 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.195 -8.255 3.061 1.00 0.00 H new ATOM 182 N GLU A 14 -1.439 -6.728 5.340 1.00 0.00 N ATOM 183 CA GLU A 14 -1.591 -6.816 6.781 1.00 0.00 C ATOM 184 C GLU A 14 -2.064 -5.485 7.363 1.00 0.00 C ATOM 185 O GLU A 14 -2.862 -5.446 8.299 1.00 0.00 O ATOM 186 CB GLU A 14 -0.241 -7.200 7.388 1.00 0.00 C ATOM 187 CG GLU A 14 -0.239 -7.316 8.899 1.00 0.00 C ATOM 188 CD GLU A 14 1.161 -7.477 9.454 1.00 0.00 C ATOM 189 OE1 GLU A 14 1.649 -8.621 9.532 1.00 0.00 O ATOM 190 OE2 GLU A 14 1.781 -6.453 9.809 1.00 0.00 O ATOM 0 H GLU A 14 -0.523 -7.026 5.004 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.342 -7.570 7.019 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.076 -8.152 6.963 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.500 -6.457 7.093 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.700 -6.428 9.331 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.848 -8.169 9.198 1.00 0.00 H new ATOM 197 N ILE A 15 -1.577 -4.400 6.783 1.00 0.00 N ATOM 198 CA ILE A 15 -1.843 -3.078 7.304 1.00 0.00 C ATOM 199 C ILE A 15 -3.143 -2.471 6.752 1.00 0.00 C ATOM 200 O ILE A 15 -3.843 -1.756 7.465 1.00 0.00 O ATOM 201 CB ILE A 15 -0.633 -2.151 7.063 1.00 0.00 C ATOM 202 CG1 ILE A 15 -0.034 -1.751 8.415 1.00 0.00 C ATOM 203 CG2 ILE A 15 -1.020 -0.929 6.239 1.00 0.00 C ATOM 204 CD1 ILE A 15 1.261 -0.982 8.315 1.00 0.00 C ATOM 0 H ILE A 15 -0.993 -4.414 5.947 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.993 -3.178 8.379 1.00 0.00 H new ATOM 0 HB ILE A 15 0.119 -2.688 6.484 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.761 -1.147 8.957 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.136 -2.652 9.005 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.143 -0.299 6.089 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.406 -1.250 5.271 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.788 -0.363 6.766 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.617 -0.738 9.316 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.007 -1.590 7.803 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.096 -0.062 7.754 1.00 0.00 H new ATOM 216 N VAL A 16 -3.484 -2.760 5.498 1.00 0.00 N ATOM 217 CA VAL A 16 -4.734 -2.245 4.935 1.00 0.00 C ATOM 218 C VAL A 16 -5.917 -2.930 5.608 1.00 0.00 C ATOM 219 O VAL A 16 -7.022 -2.385 5.668 1.00 0.00 O ATOM 220 CB VAL A 16 -4.833 -2.461 3.413 1.00 0.00 C ATOM 221 CG1 VAL A 16 -6.103 -1.827 2.862 1.00 0.00 C ATOM 222 CG2 VAL A 16 -3.617 -1.898 2.704 1.00 0.00 C ATOM 0 H VAL A 16 -2.929 -3.334 4.864 1.00 0.00 H new ATOM 0 HA VAL A 16 -4.749 -1.171 5.120 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.870 -3.535 3.230 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.154 -1.991 1.786 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.972 -2.279 3.339 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.093 -0.756 3.066 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.712 -2.064 1.631 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.544 -0.828 2.901 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.719 -2.397 3.070 1.00 0.00 H new ATOM 232 N ASN A 17 -5.667 -4.131 6.119 1.00 0.00 N ATOM 233 CA ASN A 17 -6.664 -4.880 6.876 1.00 0.00 C ATOM 234 C ASN A 17 -7.041 -4.118 8.150 1.00 0.00 C ATOM 235 O ASN A 17 -8.114 -4.317 8.717 1.00 0.00 O ATOM 236 CB ASN A 17 -6.112 -6.270 7.218 1.00 0.00 C ATOM 237 CG ASN A 17 -7.169 -7.204 7.774 1.00 0.00 C ATOM 238 OD1 ASN A 17 -7.414 -7.236 8.980 1.00 0.00 O ATOM 239 ND2 ASN A 17 -7.792 -7.980 6.898 1.00 0.00 N ATOM 0 H ASN A 17 -4.772 -4.611 6.021 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.563 -4.998 6.272 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.678 -6.713 6.322 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -5.307 -6.167 7.945 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -8.506 -8.636 7.215 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.558 -7.921 5.907 1.00 0.00 H new ATOM 246 N GLU A 18 -6.150 -3.221 8.572 1.00 0.00 N ATOM 247 CA GLU A 18 -6.375 -2.378 9.733 1.00 0.00 C ATOM 248 C GLU A 18 -7.323 -1.238 9.366 1.00 0.00 C ATOM 249 O GLU A 18 -8.058 -0.724 10.203 1.00 0.00 O ATOM 250 CB GLU A 18 -5.029 -1.809 10.198 1.00 0.00 C ATOM 251 CG GLU A 18 -4.797 -1.862 11.704 1.00 0.00 C ATOM 252 CD GLU A 18 -5.791 -1.050 12.510 1.00 0.00 C ATOM 253 OE1 GLU A 18 -5.588 0.171 12.657 1.00 0.00 O ATOM 254 OE2 GLU A 18 -6.763 -1.637 13.028 1.00 0.00 O ATOM 0 H GLU A 18 -5.253 -3.063 8.114 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.824 -2.963 10.536 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.228 -2.357 9.702 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.956 -0.772 9.870 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.841 -2.901 12.032 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.791 -1.503 11.919 1.00 0.00 H new ATOM 261 N ILE A 19 -7.306 -0.865 8.090 1.00 0.00 N ATOM 262 CA ILE A 19 -8.085 0.267 7.609 1.00 0.00 C ATOM 263 C ILE A 19 -9.481 -0.163 7.177 1.00 0.00 C ATOM 264 O ILE A 19 -10.482 0.406 7.612 1.00 0.00 O ATOM 265 CB ILE A 19 -7.395 0.947 6.411 1.00 0.00 C ATOM 266 CG1 ILE A 19 -5.941 1.282 6.741 1.00 0.00 C ATOM 267 CG2 ILE A 19 -8.152 2.202 6.019 1.00 0.00 C ATOM 268 CD1 ILE A 19 -5.161 1.828 5.564 1.00 0.00 C ATOM 0 H ILE A 19 -6.758 -1.334 7.369 1.00 0.00 H new ATOM 0 HA ILE A 19 -8.160 0.969 8.439 1.00 0.00 H new ATOM 0 HB ILE A 19 -7.400 0.254 5.569 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.920 2.012 7.550 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.445 0.384 7.109 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -7.657 2.676 5.171 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.173 1.940 5.742 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.171 2.894 6.861 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.138 2.043 5.873 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.150 1.091 4.761 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.632 2.744 5.209 1.00 0.00 H new ATOM 280 N ALA A 20 -9.543 -1.166 6.315 1.00 0.00 N ATOM 281 CA ALA A 20 -10.814 -1.606 5.764 1.00 0.00 C ATOM 282 C ALA A 20 -11.028 -3.094 5.999 1.00 0.00 C ATOM 283 O ALA A 20 -11.635 -3.485 6.997 1.00 0.00 O ATOM 284 CB ALA A 20 -10.897 -1.269 4.284 1.00 0.00 C ATOM 0 H ALA A 20 -8.732 -1.688 5.983 1.00 0.00 H new ATOM 0 HA ALA A 20 -11.612 -1.073 6.281 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -11.855 -1.605 3.887 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -10.808 -0.191 4.151 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.088 -1.769 3.751 1.00 0.00 H new ATOM 290 N GLY A 21 -10.533 -3.928 5.091 1.00 0.00 N ATOM 291 CA GLY A 21 -10.663 -5.356 5.288 1.00 0.00 C ATOM 292 C GLY A 21 -10.590 -6.168 4.008 1.00 0.00 C ATOM 293 O GLY A 21 -11.489 -6.953 3.723 1.00 0.00 O ATOM 0 H GLY A 21 -10.052 -3.646 4.237 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -9.876 -5.692 5.964 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -11.614 -5.559 5.780 1.00 0.00 H new ATOM 297 N ILE A 22 -9.538 -5.973 3.224 1.00 0.00 N ATOM 298 CA ILE A 22 -9.232 -6.904 2.150 1.00 0.00 C ATOM 299 C ILE A 22 -8.340 -8.003 2.716 1.00 0.00 C ATOM 300 O ILE A 22 -7.322 -7.707 3.348 1.00 0.00 O ATOM 301 CB ILE A 22 -8.516 -6.227 0.945 1.00 0.00 C ATOM 302 CG1 ILE A 22 -9.476 -5.335 0.144 1.00 0.00 C ATOM 303 CG2 ILE A 22 -7.901 -7.272 0.030 1.00 0.00 C ATOM 304 CD1 ILE A 22 -10.672 -6.067 -0.428 1.00 0.00 C ATOM 0 H ILE A 22 -8.891 -5.189 3.310 1.00 0.00 H new ATOM 0 HA ILE A 22 -10.173 -7.303 1.771 1.00 0.00 H new ATOM 0 HB ILE A 22 -7.725 -5.597 1.352 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -9.831 -4.531 0.789 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.925 -4.869 -0.673 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.406 -6.778 -0.806 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.172 -7.860 0.588 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.683 -7.929 -0.349 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -11.299 -5.365 -0.978 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -10.330 -6.853 -1.101 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -11.250 -6.510 0.383 1.00 0.00 H new ATOM 316 N PRO A 23 -8.731 -9.276 2.550 1.00 0.00 N ATOM 317 CA PRO A 23 -7.918 -10.411 2.993 1.00 0.00 C ATOM 318 C PRO A 23 -6.500 -10.331 2.438 1.00 0.00 C ATOM 319 O PRO A 23 -6.300 -9.881 1.308 1.00 0.00 O ATOM 320 CB PRO A 23 -8.651 -11.623 2.417 1.00 0.00 C ATOM 321 CG PRO A 23 -10.062 -11.174 2.265 1.00 0.00 C ATOM 322 CD PRO A 23 -9.996 -9.710 1.929 1.00 0.00 C ATOM 0 HA PRO A 23 -7.809 -10.447 4.077 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -8.226 -11.925 1.460 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -8.579 -12.483 3.083 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -10.567 -11.733 1.477 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -10.625 -11.339 3.184 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -9.993 -9.544 0.852 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -10.850 -9.166 2.333 1.00 0.00 H new ATOM 330 N VAL A 24 -5.526 -10.768 3.229 1.00 0.00 N ATOM 331 CA VAL A 24 -4.117 -10.677 2.844 1.00 0.00 C ATOM 332 C VAL A 24 -3.850 -11.335 1.487 1.00 0.00 C ATOM 333 O VAL A 24 -3.001 -10.878 0.728 1.00 0.00 O ATOM 334 CB VAL A 24 -3.188 -11.303 3.911 1.00 0.00 C ATOM 335 CG1 VAL A 24 -3.210 -10.476 5.185 1.00 0.00 C ATOM 336 CG2 VAL A 24 -3.589 -12.740 4.205 1.00 0.00 C ATOM 0 H VAL A 24 -5.684 -11.190 4.144 1.00 0.00 H new ATOM 0 HA VAL A 24 -3.894 -9.613 2.765 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.172 -11.308 3.515 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.551 -10.930 5.925 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -2.868 -9.464 4.968 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -4.226 -10.440 5.578 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.921 -13.157 4.958 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.614 -12.763 4.576 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.521 -13.331 3.292 1.00 0.00 H new ATOM 346 N GLU A 25 -4.593 -12.394 1.178 1.00 0.00 N ATOM 347 CA GLU A 25 -4.421 -13.103 -0.085 1.00 0.00 C ATOM 348 C GLU A 25 -5.129 -12.392 -1.239 1.00 0.00 C ATOM 349 O GLU A 25 -4.832 -12.650 -2.406 1.00 0.00 O ATOM 350 CB GLU A 25 -4.924 -14.540 0.024 1.00 0.00 C ATOM 351 CG GLU A 25 -4.085 -15.411 0.943 1.00 0.00 C ATOM 352 CD GLU A 25 -4.385 -16.883 0.768 1.00 0.00 C ATOM 353 OE1 GLU A 25 -3.799 -17.508 -0.145 1.00 0.00 O ATOM 354 OE2 GLU A 25 -5.207 -17.424 1.537 1.00 0.00 O ATOM 0 H GLU A 25 -5.318 -12.779 1.783 1.00 0.00 H new ATOM 0 HA GLU A 25 -3.352 -13.114 -0.299 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.952 -14.530 0.386 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -4.941 -14.986 -0.970 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -3.028 -15.232 0.745 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.269 -15.125 1.979 1.00 0.00 H new ATOM 361 N ASP A 26 -6.066 -11.505 -0.923 1.00 0.00 N ATOM 362 CA ASP A 26 -6.836 -10.825 -1.961 1.00 0.00 C ATOM 363 C ASP A 26 -6.111 -9.577 -2.440 1.00 0.00 C ATOM 364 O ASP A 26 -6.407 -9.049 -3.513 1.00 0.00 O ATOM 365 CB ASP A 26 -8.232 -10.439 -1.467 1.00 0.00 C ATOM 366 CG ASP A 26 -9.137 -10.041 -2.615 1.00 0.00 C ATOM 367 OD1 ASP A 26 -9.024 -10.647 -3.700 1.00 0.00 O ATOM 368 OD2 ASP A 26 -9.958 -9.120 -2.449 1.00 0.00 O ATOM 0 H ASP A 26 -6.310 -11.241 0.032 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.942 -11.525 -2.790 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -8.673 -11.278 -0.928 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -8.154 -9.612 -0.761 1.00 0.00 H new ATOM 373 N VAL A 27 -5.166 -9.108 -1.637 1.00 0.00 N ATOM 374 CA VAL A 27 -4.387 -7.932 -1.980 1.00 0.00 C ATOM 375 C VAL A 27 -3.558 -8.193 -3.229 1.00 0.00 C ATOM 376 O VAL A 27 -2.647 -9.018 -3.238 1.00 0.00 O ATOM 377 CB VAL A 27 -3.495 -7.475 -0.809 1.00 0.00 C ATOM 378 CG1 VAL A 27 -2.608 -6.310 -1.219 1.00 0.00 C ATOM 379 CG2 VAL A 27 -4.367 -7.088 0.376 1.00 0.00 C ATOM 0 H VAL A 27 -4.921 -9.528 -0.740 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.083 -7.119 -2.188 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.845 -8.302 -0.523 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.990 -6.008 -0.374 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.967 -6.614 -2.047 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.230 -5.471 -1.531 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.735 -6.765 1.203 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.032 -6.274 0.088 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.960 -7.948 0.687 1.00 0.00 H new ATOM 389 N LYS A 28 -3.921 -7.489 -4.284 1.00 0.00 N ATOM 390 CA LYS A 28 -3.330 -7.676 -5.590 1.00 0.00 C ATOM 391 C LYS A 28 -3.036 -6.322 -6.188 1.00 0.00 C ATOM 392 O LYS A 28 -3.599 -5.314 -5.758 1.00 0.00 O ATOM 393 CB LYS A 28 -4.295 -8.422 -6.517 1.00 0.00 C ATOM 394 CG LYS A 28 -4.674 -9.824 -6.058 1.00 0.00 C ATOM 395 CD LYS A 28 -5.886 -10.331 -6.827 1.00 0.00 C ATOM 396 CE LYS A 28 -6.211 -11.787 -6.509 1.00 0.00 C ATOM 397 NZ LYS A 28 -6.507 -12.001 -5.067 1.00 0.00 N ATOM 0 H LYS A 28 -4.640 -6.766 -4.256 1.00 0.00 H new ATOM 0 HA LYS A 28 -2.416 -8.260 -5.484 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.205 -7.831 -6.620 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.845 -8.490 -7.507 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.833 -10.501 -6.207 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.892 -9.816 -4.990 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.749 -9.709 -6.590 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.703 -10.228 -7.897 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.068 -12.103 -7.104 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -5.370 -12.416 -6.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.771 -12.995 -4.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -5.664 -11.774 -4.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.293 -11.384 -4.779 1.00 0.00 H new ATOM 411 N LEU A 29 -2.194 -6.296 -7.198 1.00 0.00 N ATOM 412 CA LEU A 29 -1.865 -5.056 -7.870 1.00 0.00 C ATOM 413 C LEU A 29 -2.997 -4.638 -8.805 1.00 0.00 C ATOM 414 O LEU A 29 -2.953 -3.569 -9.410 1.00 0.00 O ATOM 415 CB LEU A 29 -0.539 -5.179 -8.637 1.00 0.00 C ATOM 416 CG LEU A 29 0.732 -5.010 -7.793 1.00 0.00 C ATOM 417 CD1 LEU A 29 0.738 -5.943 -6.592 1.00 0.00 C ATOM 418 CD2 LEU A 29 1.965 -5.228 -8.650 1.00 0.00 C ATOM 0 H LEU A 29 -1.724 -7.120 -7.573 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.741 -4.282 -7.113 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.507 -6.157 -9.118 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.528 -4.433 -9.431 1.00 0.00 H new ATOM 0 HG LEU A 29 0.745 -3.989 -7.411 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.654 -5.793 -6.020 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.124 -5.728 -5.960 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.689 -6.977 -6.934 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.859 -5.105 -8.039 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.945 -6.235 -9.066 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.977 -4.500 -9.462 1.00 0.00 H new ATOM 430 N ASP A 30 -4.022 -5.482 -8.891 1.00 0.00 N ATOM 431 CA ASP A 30 -5.139 -5.250 -9.802 1.00 0.00 C ATOM 432 C ASP A 30 -6.370 -4.687 -9.099 1.00 0.00 C ATOM 433 O ASP A 30 -7.332 -4.307 -9.765 1.00 0.00 O ATOM 434 CB ASP A 30 -5.526 -6.544 -10.522 1.00 0.00 C ATOM 435 CG ASP A 30 -4.784 -6.732 -11.823 1.00 0.00 C ATOM 436 OD1 ASP A 30 -3.677 -7.306 -11.804 1.00 0.00 O ATOM 437 OD2 ASP A 30 -5.310 -6.306 -12.871 1.00 0.00 O ATOM 0 H ASP A 30 -4.102 -6.336 -8.339 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.794 -4.507 -10.521 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.325 -7.393 -9.868 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.598 -6.539 -10.718 1.00 0.00 H new ATOM 442 N LYS A 31 -6.368 -4.625 -7.769 1.00 0.00 N ATOM 443 CA LYS A 31 -7.546 -4.142 -7.075 1.00 0.00 C ATOM 444 C LYS A 31 -7.334 -2.699 -6.638 1.00 0.00 C ATOM 445 O LYS A 31 -6.239 -2.314 -6.217 1.00 0.00 O ATOM 446 CB LYS A 31 -7.908 -5.065 -5.909 1.00 0.00 C ATOM 447 CG LYS A 31 -7.149 -4.823 -4.626 1.00 0.00 C ATOM 448 CD LYS A 31 -7.130 -6.056 -3.746 1.00 0.00 C ATOM 449 CE LYS A 31 -8.532 -6.519 -3.366 1.00 0.00 C ATOM 450 NZ LYS A 31 -9.165 -7.386 -4.406 1.00 0.00 N ATOM 0 H LYS A 31 -5.587 -4.895 -7.171 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.398 -4.156 -7.755 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.974 -4.962 -5.705 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.741 -6.096 -6.220 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.126 -4.526 -4.859 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.606 -3.995 -4.083 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.612 -6.862 -4.266 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.562 -5.844 -2.840 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.485 -7.067 -2.425 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.163 -5.646 -3.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.792 -8.077 -3.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.719 -6.796 -5.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.425 -7.889 -4.936 1.00 0.00 H new ATOM 464 N SER A 32 -8.372 -1.903 -6.765 1.00 0.00 N ATOM 465 CA SER A 32 -8.272 -0.471 -6.555 1.00 0.00 C ATOM 466 C SER A 32 -8.427 -0.121 -5.078 1.00 0.00 C ATOM 467 O SER A 32 -9.324 -0.620 -4.412 1.00 0.00 O ATOM 468 CB SER A 32 -9.335 0.246 -7.391 1.00 0.00 C ATOM 469 OG SER A 32 -9.230 -0.106 -8.763 1.00 0.00 O ATOM 0 H SER A 32 -9.307 -2.225 -7.016 1.00 0.00 H new ATOM 0 HA SER A 32 -7.283 -0.140 -6.872 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.328 -0.012 -7.021 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.223 1.325 -7.280 1.00 0.00 H new ATOM 0 HG SER A 32 -9.921 0.364 -9.275 1.00 0.00 H new ATOM 475 N PHE A 33 -7.544 0.734 -4.573 1.00 0.00 N ATOM 476 CA PHE A 33 -7.600 1.170 -3.183 1.00 0.00 C ATOM 477 C PHE A 33 -8.923 1.863 -2.900 1.00 0.00 C ATOM 478 O PHE A 33 -9.598 1.577 -1.914 1.00 0.00 O ATOM 479 CB PHE A 33 -6.451 2.134 -2.881 1.00 0.00 C ATOM 480 CG PHE A 33 -5.460 1.617 -1.874 1.00 0.00 C ATOM 481 CD1 PHE A 33 -5.878 1.155 -0.638 1.00 0.00 C ATOM 482 CD2 PHE A 33 -4.107 1.599 -2.166 1.00 0.00 C ATOM 483 CE1 PHE A 33 -4.968 0.683 0.286 1.00 0.00 C ATOM 484 CE2 PHE A 33 -3.190 1.129 -1.245 1.00 0.00 C ATOM 485 CZ PHE A 33 -3.623 0.670 -0.017 1.00 0.00 C ATOM 0 H PHE A 33 -6.777 1.140 -5.109 1.00 0.00 H new ATOM 0 HA PHE A 33 -7.510 0.290 -2.546 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -5.925 2.357 -3.810 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -6.866 3.073 -2.516 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.930 1.164 -0.394 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.764 1.957 -3.125 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -5.309 0.324 1.246 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.137 1.121 -1.485 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.909 0.301 0.705 1.00 0.00 H new ATOM 495 N THR A 34 -9.290 2.759 -3.790 1.00 0.00 N ATOM 496 CA THR A 34 -10.488 3.549 -3.634 1.00 0.00 C ATOM 497 C THR A 34 -11.749 2.702 -3.850 1.00 0.00 C ATOM 498 O THR A 34 -12.776 2.921 -3.203 1.00 0.00 O ATOM 499 CB THR A 34 -10.457 4.726 -4.629 1.00 0.00 C ATOM 500 OG1 THR A 34 -10.171 4.233 -5.946 1.00 0.00 O ATOM 501 CG2 THR A 34 -9.388 5.736 -4.234 1.00 0.00 C ATOM 0 H THR A 34 -8.765 2.959 -4.641 1.00 0.00 H new ATOM 0 HA THR A 34 -10.520 3.932 -2.614 1.00 0.00 H new ATOM 0 HB THR A 34 -11.430 5.216 -4.615 1.00 0.00 H new ATOM 0 HG1 THR A 34 -10.153 4.981 -6.579 1.00 0.00 H new ATOM 0 HG21 THR A 34 -9.383 6.559 -4.949 1.00 0.00 H new ATOM 0 HG22 THR A 34 -9.603 6.123 -3.238 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.412 5.251 -4.232 1.00 0.00 H new ATOM 509 N ASP A 35 -11.666 1.735 -4.765 1.00 0.00 N ATOM 510 CA ASP A 35 -12.829 0.908 -5.109 1.00 0.00 C ATOM 511 C ASP A 35 -12.873 -0.389 -4.298 1.00 0.00 C ATOM 512 O ASP A 35 -13.722 -0.564 -3.425 1.00 0.00 O ATOM 513 CB ASP A 35 -12.834 0.592 -6.607 1.00 0.00 C ATOM 514 CG ASP A 35 -14.106 -0.107 -7.052 1.00 0.00 C ATOM 515 OD1 ASP A 35 -15.145 0.575 -7.189 1.00 0.00 O ATOM 516 OD2 ASP A 35 -14.069 -1.330 -7.288 1.00 0.00 O ATOM 0 H ASP A 35 -10.815 1.505 -5.278 1.00 0.00 H new ATOM 0 HA ASP A 35 -13.720 1.483 -4.858 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.717 1.518 -7.170 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.976 -0.037 -6.845 1.00 0.00 H new ATOM 521 N ASP A 36 -11.926 -1.276 -4.581 1.00 0.00 N ATOM 522 CA ASP A 36 -11.898 -2.617 -3.992 1.00 0.00 C ATOM 523 C ASP A 36 -11.572 -2.571 -2.511 1.00 0.00 C ATOM 524 O ASP A 36 -12.241 -3.204 -1.699 1.00 0.00 O ATOM 525 CB ASP A 36 -10.850 -3.491 -4.682 1.00 0.00 C ATOM 526 CG ASP A 36 -11.153 -3.775 -6.135 1.00 0.00 C ATOM 527 OD1 ASP A 36 -10.780 -2.951 -6.998 1.00 0.00 O ATOM 528 OD2 ASP A 36 -11.718 -4.845 -6.422 1.00 0.00 O ATOM 0 H ASP A 36 -11.156 -1.090 -5.223 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.893 -3.040 -4.131 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -9.879 -3.001 -4.612 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.769 -4.437 -4.146 1.00 0.00 H new ATOM 533 N LEU A 37 -10.520 -1.841 -2.171 1.00 0.00 N ATOM 534 CA LEU A 37 -10.076 -1.741 -0.785 1.00 0.00 C ATOM 535 C LEU A 37 -11.111 -0.987 0.043 1.00 0.00 C ATOM 536 O LEU A 37 -11.147 -1.119 1.265 1.00 0.00 O ATOM 537 CB LEU A 37 -8.710 -1.035 -0.681 1.00 0.00 C ATOM 538 CG LEU A 37 -7.468 -1.830 -1.133 1.00 0.00 C ATOM 539 CD1 LEU A 37 -7.218 -3.022 -0.239 1.00 0.00 C ATOM 540 CD2 LEU A 37 -7.593 -2.297 -2.567 1.00 0.00 C ATOM 0 H LEU A 37 -9.957 -1.309 -2.834 1.00 0.00 H new ATOM 0 HA LEU A 37 -9.965 -2.753 -0.396 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -8.758 -0.119 -1.270 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -8.561 -0.738 0.357 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.621 -1.148 -1.059 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.336 -3.559 -0.587 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -7.056 -2.682 0.784 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.082 -3.686 -0.268 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.699 -2.853 -2.848 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.467 -2.941 -2.665 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.704 -1.433 -3.223 1.00 0.00 H new ATOM 552 N ASP A 38 -11.952 -0.204 -0.649 1.00 0.00 N ATOM 553 CA ASP A 38 -13.009 0.589 -0.015 1.00 0.00 C ATOM 554 C ASP A 38 -12.391 1.556 0.990 1.00 0.00 C ATOM 555 O ASP A 38 -12.940 1.819 2.060 1.00 0.00 O ATOM 556 CB ASP A 38 -14.031 -0.341 0.656 1.00 0.00 C ATOM 557 CG ASP A 38 -15.330 0.350 1.036 1.00 0.00 C ATOM 558 OD1 ASP A 38 -15.929 1.031 0.174 1.00 0.00 O ATOM 559 OD2 ASP A 38 -15.789 0.167 2.183 1.00 0.00 O ATOM 0 H ASP A 38 -11.916 -0.105 -1.664 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.534 1.173 -0.771 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -14.254 -1.168 -0.018 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -13.584 -0.772 1.552 1.00 0.00 H new ATOM 564 N VAL A 39 -11.239 2.097 0.614 1.00 0.00 N ATOM 565 CA VAL A 39 -10.471 2.947 1.500 1.00 0.00 C ATOM 566 C VAL A 39 -10.681 4.420 1.148 1.00 0.00 C ATOM 567 O VAL A 39 -11.036 4.757 0.012 1.00 0.00 O ATOM 568 CB VAL A 39 -8.963 2.604 1.421 1.00 0.00 C ATOM 569 CG1 VAL A 39 -8.284 3.368 0.302 1.00 0.00 C ATOM 570 CG2 VAL A 39 -8.279 2.877 2.745 1.00 0.00 C ATOM 0 H VAL A 39 -10.818 1.958 -0.305 1.00 0.00 H new ATOM 0 HA VAL A 39 -10.820 2.770 2.517 1.00 0.00 H new ATOM 0 HB VAL A 39 -8.876 1.540 1.202 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -7.226 3.106 0.272 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -8.749 3.110 -0.649 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -8.388 4.439 0.477 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -7.221 2.629 2.666 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.386 3.931 2.999 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -8.737 2.267 3.524 1.00 0.00 H new ATOM 580 N ASP A 40 -10.462 5.290 2.124 1.00 0.00 N ATOM 581 CA ASP A 40 -10.544 6.727 1.902 1.00 0.00 C ATOM 582 C ASP A 40 -9.161 7.305 1.727 1.00 0.00 C ATOM 583 O ASP A 40 -8.195 6.754 2.243 1.00 0.00 O ATOM 584 CB ASP A 40 -11.215 7.435 3.079 1.00 0.00 C ATOM 585 CG ASP A 40 -12.473 6.745 3.556 1.00 0.00 C ATOM 586 OD1 ASP A 40 -13.562 7.073 3.045 1.00 0.00 O ATOM 587 OD2 ASP A 40 -12.367 5.882 4.458 1.00 0.00 O ATOM 0 H ASP A 40 -10.225 5.025 3.080 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.139 6.884 1.003 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -10.508 7.498 3.906 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.458 8.457 2.788 1.00 0.00 H new ATOM 592 N SER A 41 -9.090 8.434 1.034 1.00 0.00 N ATOM 593 CA SER A 41 -7.828 9.106 0.754 1.00 0.00 C ATOM 594 C SER A 41 -7.010 9.313 2.030 1.00 0.00 C ATOM 595 O SER A 41 -5.811 9.050 2.054 1.00 0.00 O ATOM 596 CB SER A 41 -8.102 10.449 0.076 1.00 0.00 C ATOM 597 OG SER A 41 -8.909 10.281 -1.084 1.00 0.00 O ATOM 0 H SER A 41 -9.906 8.910 0.650 1.00 0.00 H new ATOM 0 HA SER A 41 -7.243 8.473 0.086 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.601 11.119 0.776 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.158 10.921 -0.199 1.00 0.00 H new ATOM 0 HG SER A 41 -9.072 11.154 -1.499 1.00 0.00 H new ATOM 603 N LEU A 42 -7.661 9.766 3.093 1.00 0.00 N ATOM 604 CA LEU A 42 -6.981 9.961 4.366 1.00 0.00 C ATOM 605 C LEU A 42 -6.620 8.604 4.967 1.00 0.00 C ATOM 606 O LEU A 42 -5.484 8.377 5.381 1.00 0.00 O ATOM 607 CB LEU A 42 -7.878 10.751 5.330 1.00 0.00 C ATOM 608 CG LEU A 42 -7.152 11.613 6.378 1.00 0.00 C ATOM 609 CD1 LEU A 42 -6.228 10.777 7.252 1.00 0.00 C ATOM 610 CD2 LEU A 42 -6.371 12.732 5.701 1.00 0.00 C ATOM 0 H LEU A 42 -8.653 10.004 3.100 1.00 0.00 H new ATOM 0 HA LEU A 42 -6.067 10.531 4.201 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -8.526 11.400 4.741 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -8.524 10.046 5.853 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.912 12.052 7.024 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.734 11.421 7.979 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.810 10.019 7.776 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.478 10.292 6.628 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.864 13.331 6.457 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.633 12.302 5.024 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.056 13.364 5.137 1.00 0.00 H new ATOM 622 N SER A 43 -7.597 7.709 4.986 1.00 0.00 N ATOM 623 CA SER A 43 -7.435 6.380 5.565 1.00 0.00 C ATOM 624 C SER A 43 -6.235 5.643 4.960 1.00 0.00 C ATOM 625 O SER A 43 -5.363 5.139 5.689 1.00 0.00 O ATOM 626 CB SER A 43 -8.722 5.582 5.344 1.00 0.00 C ATOM 627 OG SER A 43 -9.851 6.343 5.744 1.00 0.00 O ATOM 0 H SER A 43 -8.525 7.882 4.601 1.00 0.00 H new ATOM 0 HA SER A 43 -7.242 6.484 6.633 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.813 5.310 4.292 1.00 0.00 H new ATOM 0 HB3 SER A 43 -8.683 4.652 5.911 1.00 0.00 H new ATOM 0 HG SER A 43 -10.655 5.989 5.309 1.00 0.00 H new ATOM 633 N MET A 44 -6.184 5.600 3.628 1.00 0.00 N ATOM 634 CA MET A 44 -5.093 4.938 2.926 1.00 0.00 C ATOM 635 C MET A 44 -3.761 5.584 3.273 1.00 0.00 C ATOM 636 O MET A 44 -2.815 4.903 3.631 1.00 0.00 O ATOM 637 CB MET A 44 -5.327 4.935 1.406 1.00 0.00 C ATOM 638 CG MET A 44 -5.745 6.277 0.821 1.00 0.00 C ATOM 639 SD MET A 44 -6.460 6.138 -0.829 1.00 0.00 S ATOM 640 CE MET A 44 -5.154 5.291 -1.713 1.00 0.00 C ATOM 0 H MET A 44 -6.887 6.017 3.017 1.00 0.00 H new ATOM 0 HA MET A 44 -5.063 3.899 3.255 1.00 0.00 H new ATOM 0 HB2 MET A 44 -4.412 4.609 0.912 1.00 0.00 H new ATOM 0 HB3 MET A 44 -6.095 4.198 1.172 1.00 0.00 H new ATOM 0 HG2 MET A 44 -6.470 6.747 1.486 1.00 0.00 H new ATOM 0 HG3 MET A 44 -4.877 6.935 0.780 1.00 0.00 H new ATOM 0 HE1 MET A 44 -5.249 5.489 -2.781 1.00 0.00 H new ATOM 0 HE2 MET A 44 -4.186 5.649 -1.363 1.00 0.00 H new ATOM 0 HE3 MET A 44 -5.230 4.218 -1.535 1.00 0.00 H new ATOM 650 N VAL A 45 -3.702 6.899 3.224 1.00 0.00 N ATOM 651 CA VAL A 45 -2.470 7.601 3.538 1.00 0.00 C ATOM 652 C VAL A 45 -2.032 7.337 4.982 1.00 0.00 C ATOM 653 O VAL A 45 -0.845 7.328 5.280 1.00 0.00 O ATOM 654 CB VAL A 45 -2.611 9.121 3.279 1.00 0.00 C ATOM 655 CG1 VAL A 45 -1.422 9.894 3.831 1.00 0.00 C ATOM 656 CG2 VAL A 45 -2.761 9.378 1.786 1.00 0.00 C ATOM 0 H VAL A 45 -4.485 7.502 2.972 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.696 7.215 2.875 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.503 9.472 3.798 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.555 10.957 3.631 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.351 9.733 4.907 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.507 9.546 3.351 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.860 10.449 1.609 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.882 9.003 1.262 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.649 8.866 1.416 1.00 0.00 H new ATOM 666 N GLU A 46 -2.973 7.058 5.869 1.00 0.00 N ATOM 667 CA GLU A 46 -2.626 6.918 7.273 1.00 0.00 C ATOM 668 C GLU A 46 -1.898 5.608 7.549 1.00 0.00 C ATOM 669 O GLU A 46 -0.706 5.613 7.885 1.00 0.00 O ATOM 670 CB GLU A 46 -3.860 7.027 8.170 1.00 0.00 C ATOM 671 CG GLU A 46 -3.546 6.746 9.634 1.00 0.00 C ATOM 672 CD GLU A 46 -4.613 7.232 10.594 1.00 0.00 C ATOM 673 OE1 GLU A 46 -4.517 8.391 11.052 1.00 0.00 O ATOM 674 OE2 GLU A 46 -5.531 6.452 10.922 1.00 0.00 O ATOM 0 H GLU A 46 -3.960 6.927 5.650 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.951 7.741 7.509 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.284 8.027 8.079 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.619 6.326 7.824 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.413 5.672 9.767 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.598 7.219 9.890 1.00 0.00 H new ATOM 681 N VAL A 47 -2.570 4.481 7.370 1.00 0.00 N ATOM 682 CA VAL A 47 -1.961 3.227 7.760 1.00 0.00 C ATOM 683 C VAL A 47 -1.089 2.674 6.637 1.00 0.00 C ATOM 684 O VAL A 47 -0.173 1.898 6.886 1.00 0.00 O ATOM 685 CB VAL A 47 -3.018 2.193 8.199 1.00 0.00 C ATOM 686 CG1 VAL A 47 -2.363 0.989 8.859 1.00 0.00 C ATOM 687 CG2 VAL A 47 -4.023 2.829 9.150 1.00 0.00 C ATOM 0 H VAL A 47 -3.506 4.411 6.971 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.323 3.426 8.621 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.543 1.851 7.307 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.131 0.276 9.159 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.682 0.513 8.154 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.807 1.314 9.738 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.761 2.085 9.450 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.503 3.201 10.033 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -4.525 3.657 8.649 1.00 0.00 H new ATOM 697 N VAL A 48 -1.323 3.112 5.405 1.00 0.00 N ATOM 698 CA VAL A 48 -0.515 2.624 4.292 1.00 0.00 C ATOM 699 C VAL A 48 0.830 3.361 4.247 1.00 0.00 C ATOM 700 O VAL A 48 1.824 2.812 3.780 1.00 0.00 O ATOM 701 CB VAL A 48 -1.260 2.719 2.938 1.00 0.00 C ATOM 702 CG1 VAL A 48 -0.441 2.127 1.798 1.00 0.00 C ATOM 703 CG2 VAL A 48 -2.599 2.007 3.037 1.00 0.00 C ATOM 0 H VAL A 48 -2.046 3.787 5.154 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.324 1.565 4.463 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.418 3.775 2.718 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -0.999 2.213 0.866 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.501 2.667 1.708 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.238 1.076 2.003 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.120 2.077 2.082 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.436 0.958 3.286 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.203 2.475 3.814 1.00 0.00 H new ATOM 713 N VAL A 49 0.871 4.591 4.767 1.00 0.00 N ATOM 714 CA VAL A 49 2.151 5.266 4.998 1.00 0.00 C ATOM 715 C VAL A 49 2.882 4.591 6.155 1.00 0.00 C ATOM 716 O VAL A 49 4.102 4.445 6.143 1.00 0.00 O ATOM 717 CB VAL A 49 1.980 6.782 5.271 1.00 0.00 C ATOM 718 CG1 VAL A 49 3.161 7.358 6.040 1.00 0.00 C ATOM 719 CG2 VAL A 49 1.814 7.529 3.961 1.00 0.00 C ATOM 0 H VAL A 49 0.048 5.132 5.032 1.00 0.00 H new ATOM 0 HA VAL A 49 2.743 5.178 4.087 1.00 0.00 H new ATOM 0 HB VAL A 49 1.088 6.905 5.885 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.000 8.423 6.210 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.255 6.848 6.999 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.075 7.217 5.463 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.694 8.594 4.162 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.696 7.374 3.339 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.932 7.157 3.439 1.00 0.00 H new ATOM 729 N ALA A 50 2.126 4.140 7.146 1.00 0.00 N ATOM 730 CA ALA A 50 2.702 3.325 8.208 1.00 0.00 C ATOM 731 C ALA A 50 3.247 2.014 7.628 1.00 0.00 C ATOM 732 O ALA A 50 4.141 1.387 8.198 1.00 0.00 O ATOM 733 CB ALA A 50 1.663 3.054 9.285 1.00 0.00 C ATOM 0 H ALA A 50 1.126 4.321 7.238 1.00 0.00 H new ATOM 0 HA ALA A 50 3.530 3.867 8.665 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.106 2.444 10.073 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.321 3.999 9.707 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.816 2.524 8.849 1.00 0.00 H new ATOM 739 N ALA A 51 2.710 1.618 6.473 1.00 0.00 N ATOM 740 CA ALA A 51 3.154 0.412 5.781 1.00 0.00 C ATOM 741 C ALA A 51 4.378 0.676 4.916 1.00 0.00 C ATOM 742 O ALA A 51 5.226 -0.200 4.760 1.00 0.00 O ATOM 743 CB ALA A 51 2.037 -0.162 4.926 1.00 0.00 C ATOM 0 H ALA A 51 1.962 2.121 5.996 1.00 0.00 H new ATOM 0 HA ALA A 51 3.428 -0.313 6.547 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.391 -1.060 4.420 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.187 -0.414 5.560 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.731 0.576 4.184 1.00 0.00 H new ATOM 749 N GLU A 52 4.474 1.872 4.345 1.00 0.00 N ATOM 750 CA GLU A 52 5.599 2.188 3.477 1.00 0.00 C ATOM 751 C GLU A 52 6.885 2.253 4.299 1.00 0.00 C ATOM 752 O GLU A 52 7.880 1.598 3.981 1.00 0.00 O ATOM 753 CB GLU A 52 5.380 3.500 2.696 1.00 0.00 C ATOM 754 CG GLU A 52 5.329 4.753 3.548 1.00 0.00 C ATOM 755 CD GLU A 52 5.627 6.007 2.755 1.00 0.00 C ATOM 756 OE1 GLU A 52 6.827 6.337 2.596 1.00 0.00 O ATOM 757 OE2 GLU A 52 4.673 6.650 2.280 1.00 0.00 O ATOM 0 H GLU A 52 3.798 2.626 4.465 1.00 0.00 H new ATOM 0 HA GLU A 52 5.685 1.392 2.737 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.182 3.608 1.965 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.448 3.421 2.137 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.342 4.840 4.001 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.047 4.663 4.363 1.00 0.00 H new ATOM 764 N GLU A 53 6.842 2.995 5.391 1.00 0.00 N ATOM 765 CA GLU A 53 8.025 3.232 6.195 1.00 0.00 C ATOM 766 C GLU A 53 8.522 1.965 6.884 1.00 0.00 C ATOM 767 O GLU A 53 9.693 1.877 7.252 1.00 0.00 O ATOM 768 CB GLU A 53 7.755 4.306 7.238 1.00 0.00 C ATOM 769 CG GLU A 53 7.339 5.642 6.652 1.00 0.00 C ATOM 770 CD GLU A 53 7.608 6.780 7.608 1.00 0.00 C ATOM 771 OE1 GLU A 53 8.738 7.313 7.587 1.00 0.00 O ATOM 772 OE2 GLU A 53 6.712 7.129 8.402 1.00 0.00 O ATOM 0 H GLU A 53 5.996 3.445 5.742 1.00 0.00 H new ATOM 0 HA GLU A 53 8.806 3.569 5.513 1.00 0.00 H new ATOM 0 HB2 GLU A 53 6.972 3.956 7.911 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.653 4.448 7.840 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.878 5.814 5.720 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.277 5.617 6.406 1.00 0.00 H new ATOM 779 N ARG A 54 7.649 0.979 7.055 1.00 0.00 N ATOM 780 CA ARG A 54 8.030 -0.228 7.779 1.00 0.00 C ATOM 781 C ARG A 54 8.984 -1.088 6.949 1.00 0.00 C ATOM 782 O ARG A 54 9.703 -1.927 7.491 1.00 0.00 O ATOM 783 CB ARG A 54 6.793 -1.027 8.215 1.00 0.00 C ATOM 784 CG ARG A 54 6.102 -1.789 7.094 1.00 0.00 C ATOM 785 CD ARG A 54 4.747 -2.334 7.529 1.00 0.00 C ATOM 786 NE ARG A 54 4.842 -3.217 8.693 1.00 0.00 N ATOM 787 CZ ARG A 54 3.987 -4.208 8.953 1.00 0.00 C ATOM 788 NH1 ARG A 54 2.983 -4.480 8.126 1.00 0.00 N ATOM 789 NH2 ARG A 54 4.140 -4.942 10.047 1.00 0.00 N ATOM 0 H ARG A 54 6.689 0.989 6.709 1.00 0.00 H new ATOM 0 HA ARG A 54 8.559 0.077 8.682 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.089 -1.735 8.989 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.075 -0.342 8.667 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.970 -1.131 6.235 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.738 -2.613 6.769 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.083 -1.502 7.762 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.296 -2.879 6.700 1.00 0.00 H new ATOM 0 HE ARG A 54 5.610 -3.065 9.346 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.857 -3.928 7.278 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.338 -5.241 8.340 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.910 -4.748 10.687 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.488 -5.700 10.248 1.00 0.00 H new ATOM 803 N PHE A 55 8.997 -0.863 5.639 1.00 0.00 N ATOM 804 CA PHE A 55 9.960 -1.521 4.756 1.00 0.00 C ATOM 805 C PHE A 55 11.109 -0.570 4.442 1.00 0.00 C ATOM 806 O PHE A 55 12.089 -0.945 3.797 1.00 0.00 O ATOM 807 CB PHE A 55 9.282 -1.972 3.461 1.00 0.00 C ATOM 808 CG PHE A 55 8.265 -3.059 3.660 1.00 0.00 C ATOM 809 CD1 PHE A 55 8.668 -4.375 3.803 1.00 0.00 C ATOM 810 CD2 PHE A 55 6.912 -2.766 3.709 1.00 0.00 C ATOM 811 CE1 PHE A 55 7.741 -5.381 3.991 1.00 0.00 C ATOM 812 CE2 PHE A 55 5.979 -3.769 3.898 1.00 0.00 C ATOM 813 CZ PHE A 55 6.396 -5.078 4.041 1.00 0.00 C ATOM 0 H PHE A 55 8.353 -0.231 5.163 1.00 0.00 H new ATOM 0 HA PHE A 55 10.353 -2.402 5.264 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.797 -1.113 2.997 1.00 0.00 H new ATOM 0 HB3 PHE A 55 10.044 -2.322 2.765 1.00 0.00 H new ATOM 0 HD1 PHE A 55 9.720 -4.618 3.767 1.00 0.00 H new ATOM 0 HD2 PHE A 55 6.582 -1.743 3.598 1.00 0.00 H new ATOM 0 HE1 PHE A 55 8.069 -6.404 4.099 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.927 -3.529 3.934 1.00 0.00 H new ATOM 0 HZ PHE A 55 5.670 -5.863 4.192 1.00 0.00 H new ATOM 823 N ASP A 56 10.970 0.659 4.934 1.00 0.00 N ATOM 824 CA ASP A 56 11.923 1.742 4.686 1.00 0.00 C ATOM 825 C ASP A 56 11.944 2.124 3.208 1.00 0.00 C ATOM 826 O ASP A 56 12.902 1.865 2.483 1.00 0.00 O ATOM 827 CB ASP A 56 13.334 1.393 5.173 1.00 0.00 C ATOM 828 CG ASP A 56 14.281 2.578 5.084 1.00 0.00 C ATOM 829 OD1 ASP A 56 13.818 3.734 5.230 1.00 0.00 O ATOM 830 OD2 ASP A 56 15.492 2.359 4.880 1.00 0.00 O ATOM 0 H ASP A 56 10.184 0.935 5.523 1.00 0.00 H new ATOM 0 HA ASP A 56 11.583 2.602 5.263 1.00 0.00 H new ATOM 0 HB2 ASP A 56 13.285 1.046 6.205 1.00 0.00 H new ATOM 0 HB3 ASP A 56 13.729 0.569 4.578 1.00 0.00 H new ATOM 835 N VAL A 57 10.839 2.697 2.762 1.00 0.00 N ATOM 836 CA VAL A 57 10.749 3.270 1.422 1.00 0.00 C ATOM 837 C VAL A 57 10.489 4.769 1.547 1.00 0.00 C ATOM 838 O VAL A 57 10.152 5.241 2.630 1.00 0.00 O ATOM 839 CB VAL A 57 9.622 2.591 0.609 1.00 0.00 C ATOM 840 CG1 VAL A 57 8.297 2.757 1.309 1.00 0.00 C ATOM 841 CG2 VAL A 57 9.525 3.135 -0.805 1.00 0.00 C ATOM 0 H VAL A 57 9.983 2.780 3.311 1.00 0.00 H new ATOM 0 HA VAL A 57 11.686 3.102 0.892 1.00 0.00 H new ATOM 0 HB VAL A 57 9.872 1.532 0.541 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.514 2.274 0.725 1.00 0.00 H new ATOM 0 HG12 VAL A 57 8.348 2.299 2.297 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.070 3.818 1.412 1.00 0.00 H new ATOM 0 HG21 VAL A 57 8.720 2.627 -1.336 1.00 0.00 H new ATOM 0 HG22 VAL A 57 9.319 4.205 -0.770 1.00 0.00 H new ATOM 0 HG23 VAL A 57 10.467 2.964 -1.326 1.00 0.00 H new ATOM 851 N LYS A 58 10.679 5.525 0.474 1.00 0.00 N ATOM 852 CA LYS A 58 10.433 6.954 0.525 1.00 0.00 C ATOM 853 C LYS A 58 9.404 7.372 -0.526 1.00 0.00 C ATOM 854 O LYS A 58 9.674 7.341 -1.734 1.00 0.00 O ATOM 855 CB LYS A 58 11.747 7.723 0.331 1.00 0.00 C ATOM 856 CG LYS A 58 12.790 7.406 1.393 1.00 0.00 C ATOM 857 CD LYS A 58 12.400 7.965 2.754 1.00 0.00 C ATOM 858 CE LYS A 58 13.159 7.272 3.878 1.00 0.00 C ATOM 859 NZ LYS A 58 12.688 5.876 4.082 1.00 0.00 N ATOM 0 H LYS A 58 10.998 5.176 -0.430 1.00 0.00 H new ATOM 0 HA LYS A 58 10.025 7.197 1.506 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.156 7.489 -0.652 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.539 8.793 0.343 1.00 0.00 H new ATOM 0 HG2 LYS A 58 12.917 6.326 1.467 1.00 0.00 H new ATOM 0 HG3 LYS A 58 13.752 7.820 1.092 1.00 0.00 H new ATOM 0 HD2 LYS A 58 12.604 9.035 2.781 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.328 7.841 2.906 1.00 0.00 H new ATOM 0 HE2 LYS A 58 14.224 7.266 3.648 1.00 0.00 H new ATOM 0 HE3 LYS A 58 13.035 7.836 4.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.430 5.326 4.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.829 5.882 4.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.476 5.443 3.161 1.00 0.00 H new ATOM 873 N ILE A 59 8.221 7.743 -0.049 1.00 0.00 N ATOM 874 CA ILE A 59 7.168 8.309 -0.885 1.00 0.00 C ATOM 875 C ILE A 59 6.475 9.434 -0.117 1.00 0.00 C ATOM 876 O ILE A 59 6.357 9.367 1.104 1.00 0.00 O ATOM 877 CB ILE A 59 6.132 7.228 -1.358 1.00 0.00 C ATOM 878 CG1 ILE A 59 4.685 7.719 -1.211 1.00 0.00 C ATOM 879 CG2 ILE A 59 6.319 5.911 -0.619 1.00 0.00 C ATOM 880 CD1 ILE A 59 3.648 6.730 -1.706 1.00 0.00 C ATOM 0 H ILE A 59 7.964 7.659 0.934 1.00 0.00 H new ATOM 0 HA ILE A 59 7.626 8.707 -1.791 1.00 0.00 H new ATOM 0 HB ILE A 59 6.324 7.057 -2.417 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.491 7.939 -0.161 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.572 8.654 -1.759 1.00 0.00 H new ATOM 0 HG21 ILE A 59 5.584 5.188 -0.973 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.323 5.529 -0.804 1.00 0.00 H new ATOM 0 HG23 ILE A 59 6.184 6.072 0.451 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.651 7.149 -1.569 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.814 6.528 -2.764 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.732 5.801 -1.142 1.00 0.00 H new ATOM 892 N PRO A 60 6.075 10.518 -0.805 1.00 0.00 N ATOM 893 CA PRO A 60 5.374 11.633 -0.167 1.00 0.00 C ATOM 894 C PRO A 60 4.052 11.185 0.451 1.00 0.00 C ATOM 895 O PRO A 60 3.313 10.410 -0.155 1.00 0.00 O ATOM 896 CB PRO A 60 5.127 12.621 -1.313 1.00 0.00 C ATOM 897 CG PRO A 60 6.082 12.224 -2.384 1.00 0.00 C ATOM 898 CD PRO A 60 6.269 10.740 -2.243 1.00 0.00 C ATOM 0 HA PRO A 60 5.950 12.065 0.651 1.00 0.00 H new ATOM 0 HB2 PRO A 60 4.097 12.567 -1.664 1.00 0.00 H new ATOM 0 HB3 PRO A 60 5.301 13.648 -0.992 1.00 0.00 H new ATOM 0 HG2 PRO A 60 5.690 12.476 -3.369 1.00 0.00 H new ATOM 0 HG3 PRO A 60 7.031 12.749 -2.275 1.00 0.00 H new ATOM 0 HD2 PRO A 60 5.545 10.184 -2.839 1.00 0.00 H new ATOM 0 HD3 PRO A 60 7.260 10.425 -2.570 1.00 0.00 H new ATOM 906 N ASP A 61 3.762 11.691 1.647 1.00 0.00 N ATOM 907 CA ASP A 61 2.561 11.312 2.402 1.00 0.00 C ATOM 908 C ASP A 61 1.318 11.353 1.517 1.00 0.00 C ATOM 909 O ASP A 61 0.615 10.355 1.335 1.00 0.00 O ATOM 910 CB ASP A 61 2.346 12.280 3.581 1.00 0.00 C ATOM 911 CG ASP A 61 3.604 12.551 4.383 1.00 0.00 C ATOM 912 OD1 ASP A 61 4.496 13.268 3.873 1.00 0.00 O ATOM 913 OD2 ASP A 61 3.686 12.091 5.539 1.00 0.00 O ATOM 0 H ASP A 61 4.350 12.375 2.124 1.00 0.00 H new ATOM 0 HA ASP A 61 2.712 10.296 2.767 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.959 13.224 3.198 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.585 11.868 4.244 1.00 0.00 H new ATOM 918 N ASP A 62 1.085 12.524 0.941 1.00 0.00 N ATOM 919 CA ASP A 62 -0.117 12.796 0.156 1.00 0.00 C ATOM 920 C ASP A 62 -0.171 11.932 -1.103 1.00 0.00 C ATOM 921 O ASP A 62 -1.239 11.699 -1.654 1.00 0.00 O ATOM 922 CB ASP A 62 -0.149 14.281 -0.233 1.00 0.00 C ATOM 923 CG ASP A 62 -1.512 14.746 -0.713 1.00 0.00 C ATOM 924 OD1 ASP A 62 -2.363 15.069 0.139 1.00 0.00 O ATOM 925 OD2 ASP A 62 -1.725 14.819 -1.941 1.00 0.00 O ATOM 0 H ASP A 62 1.724 13.316 1.003 1.00 0.00 H new ATOM 0 HA ASP A 62 -0.985 12.552 0.768 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.150 14.881 0.626 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.586 14.460 -1.018 1.00 0.00 H new ATOM 930 N ASP A 63 0.982 11.423 -1.526 1.00 0.00 N ATOM 931 CA ASP A 63 1.094 10.705 -2.797 1.00 0.00 C ATOM 932 C ASP A 63 0.317 9.389 -2.760 1.00 0.00 C ATOM 933 O ASP A 63 -0.070 8.864 -3.803 1.00 0.00 O ATOM 934 CB ASP A 63 2.567 10.433 -3.128 1.00 0.00 C ATOM 935 CG ASP A 63 2.814 10.272 -4.617 1.00 0.00 C ATOM 936 OD1 ASP A 63 3.019 11.304 -5.296 1.00 0.00 O ATOM 937 OD2 ASP A 63 2.838 9.126 -5.110 1.00 0.00 O ATOM 0 H ASP A 63 1.857 11.494 -1.007 1.00 0.00 H new ATOM 0 HA ASP A 63 0.662 11.335 -3.575 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.177 11.253 -2.749 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.890 9.530 -2.611 1.00 0.00 H new ATOM 942 N VAL A 64 0.063 8.867 -1.558 1.00 0.00 N ATOM 943 CA VAL A 64 -0.689 7.622 -1.426 1.00 0.00 C ATOM 944 C VAL A 64 -2.126 7.799 -1.939 1.00 0.00 C ATOM 945 O VAL A 64 -2.724 6.862 -2.450 1.00 0.00 O ATOM 946 CB VAL A 64 -0.707 7.092 0.034 1.00 0.00 C ATOM 947 CG1 VAL A 64 -1.462 5.771 0.128 1.00 0.00 C ATOM 948 CG2 VAL A 64 0.715 6.925 0.565 1.00 0.00 C ATOM 0 H VAL A 64 0.363 9.281 -0.675 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.177 6.879 -2.037 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.226 7.828 0.649 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.459 5.423 1.161 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.490 5.915 -0.203 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.977 5.029 -0.506 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.680 6.553 1.589 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.256 6.215 -0.061 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.226 7.888 0.546 1.00 0.00 H new ATOM 958 N LYS A 65 -2.664 9.015 -1.841 1.00 0.00 N ATOM 959 CA LYS A 65 -4.022 9.289 -2.318 1.00 0.00 C ATOM 960 C LYS A 65 -4.059 9.352 -3.849 1.00 0.00 C ATOM 961 O LYS A 65 -5.124 9.303 -4.471 1.00 0.00 O ATOM 962 CB LYS A 65 -4.557 10.589 -1.672 1.00 0.00 C ATOM 963 CG LYS A 65 -4.862 11.747 -2.624 1.00 0.00 C ATOM 964 CD LYS A 65 -3.603 12.339 -3.246 1.00 0.00 C ATOM 965 CE LYS A 65 -3.880 13.662 -3.936 1.00 0.00 C ATOM 966 NZ LYS A 65 -4.152 14.744 -2.956 1.00 0.00 N ATOM 0 H LYS A 65 -2.185 9.821 -1.439 1.00 0.00 H new ATOM 0 HA LYS A 65 -4.677 8.472 -2.017 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.468 10.348 -1.124 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.826 10.932 -0.940 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.524 11.397 -3.416 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.397 12.527 -2.082 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -2.850 12.484 -2.472 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.188 11.634 -3.966 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.025 13.937 -4.554 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.734 13.553 -4.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -4.565 15.562 -3.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.819 14.400 -2.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.263 15.028 -2.497 1.00 0.00 H new ATOM 980 N ASN A 66 -2.879 9.455 -4.445 1.00 0.00 N ATOM 981 CA ASN A 66 -2.755 9.600 -5.889 1.00 0.00 C ATOM 982 C ASN A 66 -2.912 8.248 -6.578 1.00 0.00 C ATOM 983 O ASN A 66 -3.456 8.156 -7.681 1.00 0.00 O ATOM 984 CB ASN A 66 -1.397 10.230 -6.222 1.00 0.00 C ATOM 985 CG ASN A 66 -1.200 10.478 -7.700 1.00 0.00 C ATOM 986 OD1 ASN A 66 -1.599 11.516 -8.224 1.00 0.00 O ATOM 987 ND2 ASN A 66 -0.554 9.544 -8.377 1.00 0.00 N ATOM 0 H ASN A 66 -1.989 9.441 -3.947 1.00 0.00 H new ATOM 0 HA ASN A 66 -3.547 10.253 -6.255 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -1.301 11.174 -5.686 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -0.603 9.577 -5.861 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -0.370 9.671 -9.372 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -0.240 8.697 -7.904 1.00 0.00 H new ATOM 994 N LEU A 67 -2.468 7.199 -5.901 1.00 0.00 N ATOM 995 CA LEU A 67 -2.557 5.850 -6.436 1.00 0.00 C ATOM 996 C LEU A 67 -3.940 5.273 -6.180 1.00 0.00 C ATOM 997 O LEU A 67 -4.406 5.207 -5.047 1.00 0.00 O ATOM 998 CB LEU A 67 -1.453 4.965 -5.844 1.00 0.00 C ATOM 999 CG LEU A 67 -1.266 5.072 -4.332 1.00 0.00 C ATOM 1000 CD1 LEU A 67 -1.863 3.869 -3.619 1.00 0.00 C ATOM 1001 CD2 LEU A 67 0.209 5.221 -3.999 1.00 0.00 C ATOM 0 H LEU A 67 -2.041 7.258 -4.977 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.406 5.884 -7.515 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.671 3.926 -6.093 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.510 5.218 -6.328 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.795 5.958 -3.981 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -1.715 3.973 -2.544 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.930 3.811 -3.834 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.373 2.960 -3.967 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.332 5.297 -2.919 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.755 4.352 -4.367 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.600 6.122 -4.473 1.00 0.00 H new ATOM 1013 N LYS A 68 -4.599 4.876 -7.256 1.00 0.00 N ATOM 1014 CA LYS A 68 -5.982 4.437 -7.186 1.00 0.00 C ATOM 1015 C LYS A 68 -6.084 2.947 -6.907 1.00 0.00 C ATOM 1016 O LYS A 68 -7.162 2.442 -6.607 1.00 0.00 O ATOM 1017 CB LYS A 68 -6.704 4.787 -8.489 1.00 0.00 C ATOM 1018 CG LYS A 68 -6.617 6.265 -8.836 1.00 0.00 C ATOM 1019 CD LYS A 68 -7.136 7.125 -7.697 1.00 0.00 C ATOM 1020 CE LYS A 68 -6.869 8.601 -7.937 1.00 0.00 C ATOM 1021 NZ LYS A 68 -7.520 9.443 -6.904 1.00 0.00 N ATOM 0 H LYS A 68 -4.196 4.849 -8.192 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.460 4.958 -6.357 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.277 4.202 -9.303 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.752 4.500 -8.406 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.583 6.530 -9.054 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.194 6.464 -9.739 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -8.208 6.964 -7.579 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -6.663 6.817 -6.764 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.794 8.783 -7.933 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -7.237 8.883 -8.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.319 10.445 -7.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -8.548 9.286 -6.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.150 9.189 -5.966 1.00 0.00 H new ATOM 1035 N THR A 69 -4.969 2.242 -7.001 1.00 0.00 N ATOM 1036 CA THR A 69 -4.951 0.821 -6.697 1.00 0.00 C ATOM 1037 C THR A 69 -3.889 0.533 -5.655 1.00 0.00 C ATOM 1038 O THR A 69 -2.935 1.299 -5.511 1.00 0.00 O ATOM 1039 CB THR A 69 -4.683 -0.045 -7.948 1.00 0.00 C ATOM 1040 OG1 THR A 69 -3.336 0.126 -8.398 1.00 0.00 O ATOM 1041 CG2 THR A 69 -5.628 0.327 -9.072 1.00 0.00 C ATOM 0 H THR A 69 -4.068 2.628 -7.284 1.00 0.00 H new ATOM 0 HA THR A 69 -5.939 0.561 -6.317 1.00 0.00 H new ATOM 0 HB THR A 69 -4.845 -1.086 -7.670 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.182 -0.431 -9.190 1.00 0.00 H new ATOM 0 HG21 THR A 69 -5.421 -0.295 -9.942 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.657 0.169 -8.749 1.00 0.00 H new ATOM 0 HG23 THR A 69 -5.487 1.376 -9.334 1.00 0.00 H new ATOM 1049 N VAL A 70 -4.054 -0.558 -4.924 1.00 0.00 N ATOM 1050 CA VAL A 70 -3.052 -0.962 -3.950 1.00 0.00 C ATOM 1051 C VAL A 70 -1.777 -1.374 -4.664 1.00 0.00 C ATOM 1052 O VAL A 70 -0.672 -1.143 -4.171 1.00 0.00 O ATOM 1053 CB VAL A 70 -3.567 -2.105 -3.036 1.00 0.00 C ATOM 1054 CG1 VAL A 70 -4.434 -3.066 -3.817 1.00 0.00 C ATOM 1055 CG2 VAL A 70 -2.417 -2.851 -2.365 1.00 0.00 C ATOM 0 H VAL A 70 -4.864 -1.175 -4.985 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.840 -0.108 -3.306 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.170 -1.648 -2.251 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -4.784 -3.859 -3.157 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -5.291 -2.532 -4.228 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.853 -3.501 -4.630 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.817 -3.644 -1.733 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.771 -3.286 -3.128 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.840 -2.157 -1.754 1.00 0.00 H new ATOM 1065 N GLY A 71 -1.943 -1.937 -5.853 1.00 0.00 N ATOM 1066 CA GLY A 71 -0.814 -2.395 -6.623 1.00 0.00 C ATOM 1067 C GLY A 71 0.021 -1.260 -7.177 1.00 0.00 C ATOM 1068 O GLY A 71 1.246 -1.371 -7.269 1.00 0.00 O ATOM 0 H GLY A 71 -2.849 -2.084 -6.297 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.186 -3.029 -5.996 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -1.170 -3.014 -7.447 1.00 0.00 H new ATOM 1072 N ASP A 72 -0.641 -0.166 -7.545 1.00 0.00 N ATOM 1073 CA ASP A 72 0.045 1.018 -8.056 1.00 0.00 C ATOM 1074 C ASP A 72 0.993 1.546 -6.991 1.00 0.00 C ATOM 1075 O ASP A 72 2.109 1.977 -7.280 1.00 0.00 O ATOM 1076 CB ASP A 72 -0.974 2.095 -8.444 1.00 0.00 C ATOM 1077 CG ASP A 72 -0.376 3.198 -9.295 1.00 0.00 C ATOM 1078 OD1 ASP A 72 -0.251 2.998 -10.523 1.00 0.00 O ATOM 1079 OD2 ASP A 72 -0.064 4.274 -8.752 1.00 0.00 O ATOM 0 H ASP A 72 -1.656 -0.075 -7.499 1.00 0.00 H new ATOM 0 HA ASP A 72 0.615 0.751 -8.946 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.797 1.630 -8.987 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.396 2.531 -7.539 1.00 0.00 H new ATOM 1084 N ALA A 73 0.534 1.464 -5.747 1.00 0.00 N ATOM 1085 CA ALA A 73 1.343 1.831 -4.598 1.00 0.00 C ATOM 1086 C ALA A 73 2.543 0.933 -4.481 1.00 0.00 C ATOM 1087 O ALA A 73 3.662 1.396 -4.276 1.00 0.00 O ATOM 1088 CB ALA A 73 0.549 1.702 -3.320 1.00 0.00 C ATOM 0 H ALA A 73 -0.405 1.143 -5.511 1.00 0.00 H new ATOM 0 HA ALA A 73 1.657 2.864 -4.745 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.175 1.982 -2.473 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.319 2.360 -3.363 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.217 0.671 -3.201 1.00 0.00 H new ATOM 1094 N THR A 74 2.298 -0.362 -4.612 1.00 0.00 N ATOM 1095 CA THR A 74 3.312 -1.342 -4.333 1.00 0.00 C ATOM 1096 C THR A 74 4.466 -1.163 -5.287 1.00 0.00 C ATOM 1097 O THR A 74 5.605 -1.056 -4.870 1.00 0.00 O ATOM 1098 CB THR A 74 2.769 -2.774 -4.449 1.00 0.00 C ATOM 1099 OG1 THR A 74 1.342 -2.759 -4.507 1.00 0.00 O ATOM 1100 CG2 THR A 74 3.209 -3.597 -3.261 1.00 0.00 C ATOM 0 H THR A 74 1.403 -0.749 -4.910 1.00 0.00 H new ATOM 0 HA THR A 74 3.646 -1.192 -3.306 1.00 0.00 H new ATOM 0 HB THR A 74 3.163 -3.217 -5.363 1.00 0.00 H new ATOM 0 HG1 THR A 74 1.000 -3.670 -4.389 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.818 -4.610 -3.355 1.00 0.00 H new ATOM 0 HG22 THR A 74 4.298 -3.631 -3.225 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.829 -3.145 -2.345 1.00 0.00 H new ATOM 1108 N LYS A 75 4.151 -1.074 -6.567 1.00 0.00 N ATOM 1109 CA LYS A 75 5.167 -0.914 -7.587 1.00 0.00 C ATOM 1110 C LYS A 75 5.937 0.394 -7.408 1.00 0.00 C ATOM 1111 O LYS A 75 7.144 0.427 -7.609 1.00 0.00 O ATOM 1112 CB LYS A 75 4.529 -0.995 -8.966 1.00 0.00 C ATOM 1113 CG LYS A 75 3.932 -2.362 -9.256 1.00 0.00 C ATOM 1114 CD LYS A 75 5.000 -3.447 -9.385 1.00 0.00 C ATOM 1115 CE LYS A 75 5.730 -3.349 -10.711 1.00 0.00 C ATOM 1116 NZ LYS A 75 6.877 -4.295 -10.788 1.00 0.00 N ATOM 0 H LYS A 75 3.196 -1.110 -6.924 1.00 0.00 H new ATOM 0 HA LYS A 75 5.889 -1.724 -7.487 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.749 -0.238 -9.046 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.278 -0.762 -9.723 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.240 -2.630 -8.458 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.353 -2.315 -10.178 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.714 -3.356 -8.567 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.536 -4.429 -9.295 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.034 -3.556 -11.524 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.090 -2.330 -10.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.348 -4.195 -11.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.554 -4.082 -10.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.531 -5.270 -10.680 1.00 0.00 H new ATOM 1130 N TYR A 76 5.249 1.458 -6.995 1.00 0.00 N ATOM 1131 CA TYR A 76 5.920 2.724 -6.715 1.00 0.00 C ATOM 1132 C TYR A 76 6.822 2.578 -5.492 1.00 0.00 C ATOM 1133 O TYR A 76 7.944 3.087 -5.466 1.00 0.00 O ATOM 1134 CB TYR A 76 4.903 3.854 -6.500 1.00 0.00 C ATOM 1135 CG TYR A 76 5.546 5.196 -6.206 1.00 0.00 C ATOM 1136 CD1 TYR A 76 6.542 5.706 -7.031 1.00 0.00 C ATOM 1137 CD2 TYR A 76 5.176 5.938 -5.094 1.00 0.00 C ATOM 1138 CE1 TYR A 76 7.141 6.924 -6.759 1.00 0.00 C ATOM 1139 CE2 TYR A 76 5.769 7.156 -4.815 1.00 0.00 C ATOM 1140 CZ TYR A 76 6.754 7.644 -5.646 1.00 0.00 C ATOM 1141 OH TYR A 76 7.354 8.854 -5.362 1.00 0.00 O ATOM 0 H TYR A 76 4.240 1.468 -6.849 1.00 0.00 H new ATOM 0 HA TYR A 76 6.532 2.985 -7.578 1.00 0.00 H new ATOM 0 HB2 TYR A 76 4.279 3.945 -7.389 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.244 3.587 -5.674 1.00 0.00 H new ATOM 0 HD1 TYR A 76 6.853 5.143 -7.898 1.00 0.00 H new ATOM 0 HD2 TYR A 76 4.411 5.558 -4.434 1.00 0.00 H new ATOM 0 HE1 TYR A 76 7.908 7.310 -7.415 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.461 7.723 -3.949 1.00 0.00 H new ATOM 0 HH TYR A 76 6.964 9.229 -4.545 1.00 0.00 H new ATOM 1151 N ILE A 77 6.328 1.869 -4.483 1.00 0.00 N ATOM 1152 CA ILE A 77 7.128 1.546 -3.312 1.00 0.00 C ATOM 1153 C ILE A 77 8.320 0.675 -3.713 1.00 0.00 C ATOM 1154 O ILE A 77 9.422 0.827 -3.195 1.00 0.00 O ATOM 1155 CB ILE A 77 6.283 0.824 -2.236 1.00 0.00 C ATOM 1156 CG1 ILE A 77 5.292 1.804 -1.602 1.00 0.00 C ATOM 1157 CG2 ILE A 77 7.173 0.200 -1.168 1.00 0.00 C ATOM 1158 CD1 ILE A 77 4.353 1.159 -0.604 1.00 0.00 C ATOM 0 H ILE A 77 5.375 1.507 -4.455 1.00 0.00 H new ATOM 0 HA ILE A 77 7.492 2.481 -2.885 1.00 0.00 H new ATOM 0 HB ILE A 77 5.727 0.021 -2.719 1.00 0.00 H new ATOM 0 HG12 ILE A 77 5.848 2.598 -1.104 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.704 2.273 -2.390 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.553 -0.301 -0.425 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.842 -0.526 -1.630 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.762 0.979 -0.684 1.00 0.00 H new ATOM 0 HD11 ILE A 77 3.681 1.914 -0.197 1.00 0.00 H new ATOM 0 HD12 ILE A 77 3.770 0.384 -1.101 1.00 0.00 H new ATOM 0 HD13 ILE A 77 4.932 0.714 0.205 1.00 0.00 H new ATOM 1170 N LEU A 78 8.085 -0.212 -4.667 1.00 0.00 N ATOM 1171 CA LEU A 78 9.105 -1.127 -5.154 1.00 0.00 C ATOM 1172 C LEU A 78 10.153 -0.395 -5.988 1.00 0.00 C ATOM 1173 O LEU A 78 11.299 -0.835 -6.078 1.00 0.00 O ATOM 1174 CB LEU A 78 8.447 -2.240 -5.975 1.00 0.00 C ATOM 1175 CG LEU A 78 7.445 -3.103 -5.199 1.00 0.00 C ATOM 1176 CD1 LEU A 78 6.840 -4.163 -6.104 1.00 0.00 C ATOM 1177 CD2 LEU A 78 8.129 -3.749 -4.007 1.00 0.00 C ATOM 0 H LEU A 78 7.180 -0.318 -5.126 1.00 0.00 H new ATOM 0 HA LEU A 78 9.615 -1.565 -4.296 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.936 -1.791 -6.826 1.00 0.00 H new ATOM 0 HB3 LEU A 78 9.227 -2.886 -6.377 1.00 0.00 H new ATOM 0 HG LEU A 78 6.640 -2.464 -4.837 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.132 -4.765 -5.536 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.323 -3.681 -6.934 1.00 0.00 H new ATOM 0 HD13 LEU A 78 7.631 -4.804 -6.493 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.410 -4.360 -3.462 1.00 0.00 H new ATOM 0 HD22 LEU A 78 8.949 -4.377 -4.355 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.520 -2.974 -3.348 1.00 0.00 H new ATOM 1189 N ASP A 79 9.764 0.715 -6.599 1.00 0.00 N ATOM 1190 CA ASP A 79 10.697 1.525 -7.375 1.00 0.00 C ATOM 1191 C ASP A 79 11.501 2.450 -6.471 1.00 0.00 C ATOM 1192 O ASP A 79 12.678 2.697 -6.714 1.00 0.00 O ATOM 1193 CB ASP A 79 9.966 2.364 -8.432 1.00 0.00 C ATOM 1194 CG ASP A 79 9.688 1.597 -9.708 1.00 0.00 C ATOM 1195 OD1 ASP A 79 10.635 1.389 -10.497 1.00 0.00 O ATOM 1196 OD2 ASP A 79 8.522 1.215 -9.941 1.00 0.00 O ATOM 0 H ASP A 79 8.810 1.076 -6.574 1.00 0.00 H new ATOM 0 HA ASP A 79 11.374 0.835 -7.878 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.024 2.721 -8.017 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.564 3.244 -8.667 1.00 0.00 H new ATOM 1201 N HIS A 80 10.863 2.950 -5.423 1.00 0.00 N ATOM 1202 CA HIS A 80 11.483 3.948 -4.558 1.00 0.00 C ATOM 1203 C HIS A 80 11.904 3.355 -3.216 1.00 0.00 C ATOM 1204 O HIS A 80 12.090 4.086 -2.237 1.00 0.00 O ATOM 1205 CB HIS A 80 10.513 5.106 -4.328 1.00 0.00 C ATOM 1206 CG HIS A 80 10.969 6.396 -4.928 1.00 0.00 C ATOM 1207 ND1 HIS A 80 11.027 7.571 -4.213 1.00 0.00 N ATOM 1208 CD2 HIS A 80 11.379 6.698 -6.182 1.00 0.00 C ATOM 1209 CE1 HIS A 80 11.453 8.540 -4.999 1.00 0.00 C ATOM 1210 NE2 HIS A 80 11.676 8.038 -6.201 1.00 0.00 N ATOM 0 H HIS A 80 9.917 2.683 -5.150 1.00 0.00 H new ATOM 0 HA HIS A 80 12.382 4.309 -5.059 1.00 0.00 H new ATOM 0 HB2 HIS A 80 9.541 4.844 -4.746 1.00 0.00 H new ATOM 0 HB3 HIS A 80 10.372 5.243 -3.256 1.00 0.00 H new ATOM 0 HD1 HIS A 80 10.779 7.676 -3.229 1.00 0.00 H new ATOM 0 HD2 HIS A 80 11.458 6.012 -7.013 1.00 0.00 H new ATOM 0 HE1 HIS A 80 11.596 9.571 -4.709 1.00 0.00 H new ATOM 1219 N GLN A 81 12.056 2.038 -3.174 1.00 0.00 N ATOM 1220 CA GLN A 81 12.428 1.347 -1.941 1.00 0.00 C ATOM 1221 C GLN A 81 13.907 1.527 -1.634 1.00 0.00 C ATOM 1222 O GLN A 81 14.719 1.723 -2.539 1.00 0.00 O ATOM 1223 CB GLN A 81 12.103 -0.144 -2.038 1.00 0.00 C ATOM 1224 CG GLN A 81 12.786 -0.844 -3.200 1.00 0.00 C ATOM 1225 CD GLN A 81 12.430 -2.315 -3.289 1.00 0.00 C ATOM 1226 OE1 GLN A 81 11.226 -2.663 -2.858 1.00 0.00 O flip ATOM 1227 NE2 GLN A 81 13.231 -3.132 -3.747 1.00 0.00 N flip ATOM 0 H GLN A 81 11.928 1.424 -3.979 1.00 0.00 H new ATOM 0 HA GLN A 81 11.848 1.788 -1.131 1.00 0.00 H new ATOM 0 HB2 GLN A 81 12.396 -0.632 -1.108 1.00 0.00 H new ATOM 0 HB3 GLN A 81 11.024 -0.266 -2.135 1.00 0.00 H new ATOM 0 HG2 GLN A 81 12.507 -0.350 -4.131 1.00 0.00 H new ATOM 0 HG3 GLN A 81 13.866 -0.742 -3.096 1.00 0.00 H new ATOM 0 HE21 GLN A 81 14.148 -2.822 -4.068 1.00 0.00 H new ATOM 0 HE22 GLN A 81 12.977 -4.118 -3.805 1.00 0.00 H new ATOM 1236 N ALA A 82 14.244 1.465 -0.359 1.00 0.00 N ATOM 1237 CA ALA A 82 15.627 1.573 0.068 1.00 0.00 C ATOM 1238 C ALA A 82 16.052 0.310 0.802 1.00 0.00 C ATOM 1239 O ALA A 82 15.633 0.129 1.959 1.00 0.00 O ATOM 1240 CB ALA A 82 15.809 2.799 0.950 1.00 0.00 C ATOM 1241 OXT ALA A 82 16.798 -0.503 0.220 1.00 0.00 O ATOM 0 H ALA A 82 13.576 1.340 0.402 1.00 0.00 H new ATOM 0 HA ALA A 82 16.261 1.686 -0.811 1.00 0.00 H new ATOM 0 HB1 ALA A 82 16.850 2.870 1.264 1.00 0.00 H new ATOM 0 HB2 ALA A 82 15.537 3.694 0.390 1.00 0.00 H new ATOM 0 HB3 ALA A 82 15.170 2.713 1.829 1.00 0.00 H new TER 1247 ALA A 82