USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 605 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 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -0.503 X(o=-0.5,f=-0.006) USER MOD Single : A 7 GLN : amide:sc= -1.92 X(o=-1.9,f=-1.6) USER MOD Single : A 15 SER OG : rot 180:sc= -0.276 USER MOD Single : A 18 MET CE :methyl 148:sc= 0 (180deg=-1.71!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= -0.964 USER MOD Single : A 39 THR OG1 : rot -170:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -83:sc= 0.386 USER MOD Single : A 46 MET CE :methyl 168:sc= 0 (180deg=-0.105) USER MOD Single : A 48 MET CE :methyl -120:sc= -0.108 (180deg=-0.566) USER MOD Single : A 51 GLN : amide:sc= -3.55! C(o=-3.6!,f=-5.1!) USER MOD Single : A 52 ASN : amide:sc= -0.105 X(o=-0.1,f=-0.1) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0.00138 USER MOD Single : A 72 THR OG1 : rot 43:sc= 0.681 USER MOD Single : A 81 MET CE :methyl 162:sc= -2.99 (180deg=-4.43!) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.219 K(o=-0.22,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 24 N MET A 3 -11.091 -4.579 -7.171 1.00 0.00 N ATOM 25 CA MET A 3 -10.632 -5.027 -5.826 1.00 0.00 C ATOM 26 C MET A 3 -11.201 -6.414 -5.522 1.00 0.00 C ATOM 27 O MET A 3 -10.471 -7.368 -5.342 1.00 0.00 O ATOM 28 CB MET A 3 -11.121 -4.035 -4.767 1.00 0.00 C ATOM 29 CG MET A 3 -9.966 -3.676 -3.830 1.00 0.00 C ATOM 30 SD MET A 3 -9.877 -1.876 -3.644 1.00 0.00 S ATOM 31 CE MET A 3 -8.129 -1.689 -4.074 1.00 0.00 C ATOM 0 HA MET A 3 -9.543 -5.073 -5.813 1.00 0.00 H new ATOM 0 HB2 MET A 3 -11.507 -3.136 -5.247 1.00 0.00 H new ATOM 0 HB3 MET A 3 -11.943 -4.470 -4.198 1.00 0.00 H new ATOM 0 HG2 MET A 3 -10.113 -4.146 -2.858 1.00 0.00 H new ATOM 0 HG3 MET A 3 -9.027 -4.058 -4.230 1.00 0.00 H new ATOM 0 HE1 MET A 3 -7.852 -0.636 -4.023 1.00 0.00 H new ATOM 0 HE2 MET A 3 -7.519 -2.259 -3.373 1.00 0.00 H new ATOM 0 HE3 MET A 3 -7.961 -2.060 -5.085 1.00 0.00 H new ATOM 41 N THR A 4 -12.501 -6.525 -5.458 1.00 0.00 N ATOM 42 CA THR A 4 -13.142 -7.840 -5.160 1.00 0.00 C ATOM 43 C THR A 4 -12.356 -8.979 -5.816 1.00 0.00 C ATOM 44 O THR A 4 -11.999 -9.943 -5.171 1.00 0.00 O ATOM 45 CB THR A 4 -14.567 -7.832 -5.710 1.00 0.00 C ATOM 46 OG1 THR A 4 -15.102 -9.148 -5.659 1.00 0.00 O ATOM 47 CG2 THR A 4 -14.539 -7.342 -7.155 1.00 0.00 C ATOM 0 H THR A 4 -13.153 -5.754 -5.601 1.00 0.00 H new ATOM 0 HA THR A 4 -13.153 -7.995 -4.081 1.00 0.00 H new ATOM 0 HB THR A 4 -15.192 -7.169 -5.111 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.017 -9.143 -6.010 1.00 0.00 H new ATOM 0 HG21 THR A 4 -15.553 -7.333 -7.556 1.00 0.00 H new ATOM 0 HG22 THR A 4 -14.126 -6.334 -7.189 1.00 0.00 H new ATOM 0 HG23 THR A 4 -13.918 -8.009 -7.753 1.00 0.00 H new ATOM 55 N ASP A 5 -12.088 -8.883 -7.090 1.00 0.00 N ATOM 56 CA ASP A 5 -11.330 -9.969 -7.772 1.00 0.00 C ATOM 57 C ASP A 5 -9.830 -9.665 -7.719 1.00 0.00 C ATOM 58 O ASP A 5 -9.049 -10.436 -7.199 1.00 0.00 O ATOM 59 CB ASP A 5 -11.780 -10.066 -9.232 1.00 0.00 C ATOM 60 CG ASP A 5 -11.777 -11.532 -9.669 1.00 0.00 C ATOM 61 OD1 ASP A 5 -11.662 -12.388 -8.807 1.00 0.00 O ATOM 62 OD2 ASP A 5 -11.891 -11.776 -10.860 1.00 0.00 O ATOM 0 H ASP A 5 -12.361 -8.102 -7.686 1.00 0.00 H new ATOM 0 HA ASP A 5 -11.523 -10.915 -7.267 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -12.778 -9.644 -9.345 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -11.114 -9.484 -9.869 1.00 0.00 H new ATOM 67 N GLN A 6 -9.424 -8.550 -8.260 1.00 0.00 N ATOM 68 CA GLN A 6 -7.974 -8.198 -8.250 1.00 0.00 C ATOM 69 C GLN A 6 -7.439 -8.229 -6.817 1.00 0.00 C ATOM 70 O GLN A 6 -6.557 -8.999 -6.492 1.00 0.00 O ATOM 71 CB GLN A 6 -7.788 -6.795 -8.831 1.00 0.00 C ATOM 72 CG GLN A 6 -6.946 -6.878 -10.107 1.00 0.00 C ATOM 73 CD GLN A 6 -6.039 -5.649 -10.201 1.00 0.00 C ATOM 74 OE1 GLN A 6 -4.947 -5.725 -10.728 1.00 0.00 O ATOM 75 NE2 GLN A 6 -6.447 -4.512 -9.710 1.00 0.00 N ATOM 0 H GLN A 6 -10.033 -7.866 -8.709 1.00 0.00 H new ATOM 0 HA GLN A 6 -7.426 -8.922 -8.853 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -8.758 -6.350 -9.051 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -7.299 -6.150 -8.101 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -6.345 -7.787 -10.100 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -7.595 -6.932 -10.981 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -7.364 -4.447 -9.267 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -5.849 -3.687 -9.769 1.00 0.00 H new ATOM 84 N GLN A 7 -7.957 -7.393 -5.959 1.00 0.00 N ATOM 85 CA GLN A 7 -7.468 -7.373 -4.551 1.00 0.00 C ATOM 86 C GLN A 7 -7.679 -8.751 -3.912 1.00 0.00 C ATOM 87 O GLN A 7 -6.904 -9.182 -3.081 1.00 0.00 O ATOM 88 CB GLN A 7 -8.229 -6.288 -3.767 1.00 0.00 C ATOM 89 CG GLN A 7 -8.276 -6.633 -2.274 1.00 0.00 C ATOM 90 CD GLN A 7 -9.577 -7.379 -1.966 1.00 0.00 C ATOM 91 OE1 GLN A 7 -9.568 -8.378 -1.273 1.00 0.00 O ATOM 92 NE2 GLN A 7 -10.703 -6.933 -2.455 1.00 0.00 N ATOM 0 H GLN A 7 -8.697 -6.724 -6.172 1.00 0.00 H new ATOM 0 HA GLN A 7 -6.403 -7.143 -4.530 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -7.743 -5.322 -3.907 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -9.243 -6.194 -4.156 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -7.418 -7.249 -2.004 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -8.215 -5.723 -1.677 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -10.710 -6.095 -3.036 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -11.575 -7.423 -2.256 1.00 0.00 H new ATOM 101 N ALA A 8 -8.718 -9.448 -4.286 1.00 0.00 N ATOM 102 CA ALA A 8 -8.957 -10.793 -3.687 1.00 0.00 C ATOM 103 C ALA A 8 -7.694 -11.648 -3.815 1.00 0.00 C ATOM 104 O ALA A 8 -7.309 -12.341 -2.895 1.00 0.00 O ATOM 105 CB ALA A 8 -10.109 -11.484 -4.417 1.00 0.00 C ATOM 0 H ALA A 8 -9.407 -9.147 -4.975 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.211 -10.674 -2.634 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.281 -12.466 -3.977 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -11.012 -10.881 -4.324 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -9.856 -11.598 -5.471 1.00 0.00 H new ATOM 111 N GLU A 9 -7.048 -11.611 -4.949 1.00 0.00 N ATOM 112 CA GLU A 9 -5.815 -12.428 -5.131 1.00 0.00 C ATOM 113 C GLU A 9 -4.726 -11.939 -4.175 1.00 0.00 C ATOM 114 O GLU A 9 -3.944 -12.713 -3.660 1.00 0.00 O ATOM 115 CB GLU A 9 -5.320 -12.294 -6.573 1.00 0.00 C ATOM 116 CG GLU A 9 -6.082 -13.273 -7.468 1.00 0.00 C ATOM 117 CD GLU A 9 -5.243 -13.592 -8.707 1.00 0.00 C ATOM 118 OE1 GLU A 9 -4.028 -13.559 -8.599 1.00 0.00 O ATOM 119 OE2 GLU A 9 -5.829 -13.865 -9.741 1.00 0.00 O ATOM 0 H GLU A 9 -7.321 -11.051 -5.756 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.042 -13.472 -4.918 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -5.467 -11.273 -6.926 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.250 -12.497 -6.622 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -6.301 -14.189 -6.919 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -7.038 -12.842 -7.765 1.00 0.00 H new ATOM 126 N ALA A 10 -4.666 -10.658 -3.935 1.00 0.00 N ATOM 127 CA ALA A 10 -3.623 -10.119 -3.015 1.00 0.00 C ATOM 128 C ALA A 10 -3.884 -10.617 -1.592 1.00 0.00 C ATOM 129 O ALA A 10 -2.967 -10.880 -0.839 1.00 0.00 O ATOM 130 CB ALA A 10 -3.667 -8.590 -3.037 1.00 0.00 C ATOM 0 H ALA A 10 -5.294 -9.961 -4.336 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.641 -10.461 -3.342 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -2.905 -8.194 -2.365 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.477 -8.235 -4.050 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.650 -8.250 -2.712 1.00 0.00 H new ATOM 136 N ARG A 11 -5.126 -10.747 -1.214 1.00 0.00 N ATOM 137 CA ARG A 11 -5.441 -11.225 0.163 1.00 0.00 C ATOM 138 C ARG A 11 -5.344 -12.752 0.213 1.00 0.00 C ATOM 139 O ARG A 11 -5.315 -13.347 1.272 1.00 0.00 O ATOM 140 CB ARG A 11 -6.860 -10.793 0.540 1.00 0.00 C ATOM 141 CG ARG A 11 -6.824 -10.022 1.862 1.00 0.00 C ATOM 142 CD ARG A 11 -7.763 -8.818 1.775 1.00 0.00 C ATOM 143 NE ARG A 11 -9.131 -9.225 2.205 1.00 0.00 N ATOM 144 CZ ARG A 11 -9.743 -8.559 3.144 1.00 0.00 C ATOM 145 NH1 ARG A 11 -9.112 -8.256 4.246 1.00 0.00 N ATOM 146 NH2 ARG A 11 -10.985 -8.196 2.984 1.00 0.00 N ATOM 0 H ARG A 11 -5.937 -10.543 -1.799 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.729 -10.794 0.866 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.282 -10.168 -0.247 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.505 -11.667 0.634 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.125 -10.673 2.683 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.808 -9.690 2.074 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.396 -8.010 2.408 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.789 -8.436 0.754 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.588 -10.024 1.765 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.141 -8.540 4.372 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.590 -7.735 4.981 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.479 -8.433 2.124 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.463 -7.675 3.719 1.00 0.00 H new ATOM 160 N ALA A 12 -5.299 -13.392 -0.924 1.00 0.00 N ATOM 161 CA ALA A 12 -5.208 -14.879 -0.938 1.00 0.00 C ATOM 162 C ALA A 12 -3.914 -15.322 -0.253 1.00 0.00 C ATOM 163 O ALA A 12 -3.934 -15.994 0.759 1.00 0.00 O ATOM 164 CB ALA A 12 -5.211 -15.375 -2.386 1.00 0.00 C ATOM 0 H ALA A 12 -5.321 -12.949 -1.843 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.061 -15.298 -0.405 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.144 -16.463 -2.398 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.133 -15.062 -2.876 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -4.357 -14.953 -2.917 1.00 0.00 H new ATOM 170 N PHE A 13 -2.787 -14.957 -0.801 1.00 0.00 N ATOM 171 CA PHE A 13 -1.490 -15.361 -0.188 1.00 0.00 C ATOM 172 C PHE A 13 -1.382 -14.787 1.227 1.00 0.00 C ATOM 173 O PHE A 13 -0.779 -15.377 2.101 1.00 0.00 O ATOM 174 CB PHE A 13 -0.341 -14.829 -1.045 1.00 0.00 C ATOM 175 CG PHE A 13 0.978 -15.216 -0.419 1.00 0.00 C ATOM 176 CD1 PHE A 13 1.238 -16.555 -0.101 1.00 0.00 C ATOM 177 CD2 PHE A 13 1.942 -14.236 -0.157 1.00 0.00 C ATOM 178 CE1 PHE A 13 2.460 -16.913 0.478 1.00 0.00 C ATOM 179 CE2 PHE A 13 3.165 -14.593 0.422 1.00 0.00 C ATOM 180 CZ PHE A 13 3.424 -15.932 0.741 1.00 0.00 C ATOM 0 H PHE A 13 -2.709 -14.395 -1.649 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.437 -16.448 -0.136 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.409 -15.234 -2.055 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.410 -13.745 -1.131 1.00 0.00 H new ATOM 0 HD1 PHE A 13 0.494 -17.312 -0.303 1.00 0.00 H new ATOM 0 HD2 PHE A 13 1.742 -13.203 -0.402 1.00 0.00 H new ATOM 0 HE1 PHE A 13 2.660 -17.946 0.722 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.909 -13.836 0.623 1.00 0.00 H new ATOM 0 HZ PHE A 13 4.367 -16.208 1.190 1.00 0.00 H new ATOM 190 N LEU A 14 -1.956 -13.639 1.461 1.00 0.00 N ATOM 191 CA LEU A 14 -1.879 -13.033 2.821 1.00 0.00 C ATOM 192 C LEU A 14 -3.027 -13.561 3.683 1.00 0.00 C ATOM 193 O LEU A 14 -4.005 -12.879 3.914 1.00 0.00 O ATOM 194 CB LEU A 14 -1.985 -11.512 2.712 1.00 0.00 C ATOM 195 CG LEU A 14 -0.871 -10.983 1.806 1.00 0.00 C ATOM 196 CD1 LEU A 14 -1.066 -9.483 1.578 1.00 0.00 C ATOM 197 CD2 LEU A 14 0.485 -11.222 2.475 1.00 0.00 C ATOM 0 H LEU A 14 -2.474 -13.095 0.771 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.927 -13.299 3.280 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.959 -11.233 2.309 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.908 -11.060 3.701 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.904 -11.504 0.849 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.272 -9.107 0.933 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.032 -9.310 1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.033 -8.962 2.535 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.280 -10.846 1.831 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.516 -10.700 3.432 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.626 -12.290 2.639 1.00 0.00 H new ATOM 209 N SER A 15 -2.916 -14.770 4.163 1.00 0.00 N ATOM 210 CA SER A 15 -4.003 -15.335 5.012 1.00 0.00 C ATOM 211 C SER A 15 -4.369 -14.330 6.104 1.00 0.00 C ATOM 212 O SER A 15 -3.730 -13.307 6.259 1.00 0.00 O ATOM 213 CB SER A 15 -3.522 -16.635 5.657 1.00 0.00 C ATOM 214 OG SER A 15 -4.537 -17.133 6.518 1.00 0.00 O ATOM 0 H SER A 15 -2.121 -15.390 4.004 1.00 0.00 H new ATOM 0 HA SER A 15 -4.879 -15.538 4.395 1.00 0.00 H new ATOM 0 HB2 SER A 15 -3.287 -17.371 4.888 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.605 -16.458 6.220 1.00 0.00 H new ATOM 0 HG SER A 15 -4.234 -17.968 6.933 1.00 0.00 H new ATOM 220 N GLU A 16 -5.393 -14.608 6.864 1.00 0.00 N ATOM 221 CA GLU A 16 -5.797 -13.665 7.944 1.00 0.00 C ATOM 222 C GLU A 16 -4.674 -13.566 8.979 1.00 0.00 C ATOM 223 O GLU A 16 -4.656 -12.675 9.806 1.00 0.00 O ATOM 224 CB GLU A 16 -7.070 -14.177 8.621 1.00 0.00 C ATOM 225 CG GLU A 16 -7.973 -12.992 8.972 1.00 0.00 C ATOM 226 CD GLU A 16 -8.405 -13.096 10.436 1.00 0.00 C ATOM 227 OE1 GLU A 16 -8.822 -14.170 10.836 1.00 0.00 O ATOM 228 OE2 GLU A 16 -8.312 -12.097 11.132 1.00 0.00 O ATOM 0 H GLU A 16 -5.967 -15.447 6.783 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.986 -12.681 7.515 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.596 -14.865 7.959 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.816 -14.734 9.523 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.443 -12.055 8.804 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.849 -12.984 8.323 1.00 0.00 H new ATOM 235 N GLU A 17 -3.737 -14.474 8.942 1.00 0.00 N ATOM 236 CA GLU A 17 -2.618 -14.430 9.925 1.00 0.00 C ATOM 237 C GLU A 17 -1.477 -13.582 9.358 1.00 0.00 C ATOM 238 O GLU A 17 -0.666 -13.048 10.090 1.00 0.00 O ATOM 239 CB GLU A 17 -2.115 -15.851 10.187 1.00 0.00 C ATOM 240 CG GLU A 17 -1.016 -15.815 11.251 1.00 0.00 C ATOM 241 CD GLU A 17 0.004 -16.920 10.971 1.00 0.00 C ATOM 242 OE1 GLU A 17 0.220 -17.217 9.808 1.00 0.00 O ATOM 243 OE2 GLU A 17 0.550 -17.450 11.924 1.00 0.00 O ATOM 0 H GLU A 17 -3.698 -15.244 8.274 1.00 0.00 H new ATOM 0 HA GLU A 17 -2.969 -13.991 10.859 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.938 -16.484 10.520 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.730 -16.288 9.266 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.524 -14.842 11.248 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.450 -15.949 12.242 1.00 0.00 H new ATOM 250 N MET A 18 -1.406 -13.455 8.062 1.00 0.00 N ATOM 251 CA MET A 18 -0.316 -12.643 7.452 1.00 0.00 C ATOM 252 C MET A 18 -0.657 -11.155 7.573 1.00 0.00 C ATOM 253 O MET A 18 0.196 -10.333 7.839 1.00 0.00 O ATOM 254 CB MET A 18 -0.169 -13.014 5.974 1.00 0.00 C ATOM 255 CG MET A 18 1.198 -13.660 5.743 1.00 0.00 C ATOM 256 SD MET A 18 1.122 -14.727 4.283 1.00 0.00 S ATOM 257 CE MET A 18 2.906 -14.932 4.060 1.00 0.00 C ATOM 0 H MET A 18 -2.055 -13.878 7.399 1.00 0.00 H new ATOM 0 HA MET A 18 0.620 -12.844 7.972 1.00 0.00 H new ATOM 0 HB2 MET A 18 -0.962 -13.702 5.680 1.00 0.00 H new ATOM 0 HB3 MET A 18 -0.272 -12.124 5.353 1.00 0.00 H new ATOM 0 HG2 MET A 18 1.957 -12.890 5.605 1.00 0.00 H new ATOM 0 HG3 MET A 18 1.490 -14.242 6.617 1.00 0.00 H new ATOM 0 HE1 MET A 18 3.109 -15.918 3.642 1.00 0.00 H new ATOM 0 HE2 MET A 18 3.278 -14.166 3.380 1.00 0.00 H new ATOM 0 HE3 MET A 18 3.406 -14.836 5.024 1.00 0.00 H new ATOM 267 N ILE A 19 -1.899 -10.804 7.378 1.00 0.00 N ATOM 268 CA ILE A 19 -2.292 -9.371 7.483 1.00 0.00 C ATOM 269 C ILE A 19 -2.283 -8.948 8.951 1.00 0.00 C ATOM 270 O ILE A 19 -1.758 -7.911 9.306 1.00 0.00 O ATOM 271 CB ILE A 19 -3.697 -9.185 6.908 1.00 0.00 C ATOM 272 CG1 ILE A 19 -3.785 -9.879 5.548 1.00 0.00 C ATOM 273 CG2 ILE A 19 -3.987 -7.692 6.738 1.00 0.00 C ATOM 274 CD1 ILE A 19 -5.031 -10.767 5.508 1.00 0.00 C ATOM 0 H ILE A 19 -2.657 -11.447 7.151 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.586 -8.758 6.923 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.429 -9.621 7.588 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.829 -9.137 4.751 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.892 -10.479 5.376 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.988 -7.560 6.328 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.923 -7.196 7.707 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.256 -7.255 6.058 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.094 -11.262 4.539 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.968 -11.518 6.295 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.919 -10.154 5.661 1.00 0.00 H new ATOM 286 N ALA A 20 -2.859 -9.743 9.808 1.00 0.00 N ATOM 287 CA ALA A 20 -2.883 -9.389 11.253 1.00 0.00 C ATOM 288 C ALA A 20 -1.477 -8.992 11.702 1.00 0.00 C ATOM 289 O ALA A 20 -1.297 -8.063 12.465 1.00 0.00 O ATOM 290 CB ALA A 20 -3.357 -10.597 12.063 1.00 0.00 C ATOM 0 H ALA A 20 -3.315 -10.624 9.569 1.00 0.00 H new ATOM 0 HA ALA A 20 -3.564 -8.554 11.414 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.375 -10.340 13.122 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -4.359 -10.881 11.741 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.675 -11.432 11.904 1.00 0.00 H new ATOM 296 N GLU A 21 -0.477 -9.687 11.233 1.00 0.00 N ATOM 297 CA GLU A 21 0.920 -9.349 11.631 1.00 0.00 C ATOM 298 C GLU A 21 1.345 -8.051 10.943 1.00 0.00 C ATOM 299 O GLU A 21 2.094 -7.265 11.487 1.00 0.00 O ATOM 300 CB GLU A 21 1.858 -10.482 11.209 1.00 0.00 C ATOM 301 CG GLU A 21 1.744 -11.636 12.206 1.00 0.00 C ATOM 302 CD GLU A 21 3.017 -11.704 13.053 1.00 0.00 C ATOM 303 OE1 GLU A 21 4.011 -12.203 12.555 1.00 0.00 O ATOM 304 OE2 GLU A 21 2.974 -11.252 14.187 1.00 0.00 O ATOM 0 H GLU A 21 -0.567 -10.475 10.591 1.00 0.00 H new ATOM 0 HA GLU A 21 0.970 -9.220 12.712 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.602 -10.826 10.207 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.886 -10.122 11.169 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.875 -11.492 12.847 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.597 -12.577 11.675 1.00 0.00 H new ATOM 311 N PHE A 22 0.874 -7.819 9.748 1.00 0.00 N ATOM 312 CA PHE A 22 1.251 -6.572 9.026 1.00 0.00 C ATOM 313 C PHE A 22 0.630 -5.365 9.732 1.00 0.00 C ATOM 314 O PHE A 22 1.043 -4.239 9.539 1.00 0.00 O ATOM 315 CB PHE A 22 0.731 -6.645 7.587 1.00 0.00 C ATOM 316 CG PHE A 22 1.672 -7.477 6.743 1.00 0.00 C ATOM 317 CD1 PHE A 22 2.535 -8.399 7.350 1.00 0.00 C ATOM 318 CD2 PHE A 22 1.678 -7.325 5.350 1.00 0.00 C ATOM 319 CE1 PHE A 22 3.402 -9.169 6.564 1.00 0.00 C ATOM 320 CE2 PHE A 22 2.545 -8.095 4.567 1.00 0.00 C ATOM 321 CZ PHE A 22 3.407 -9.016 5.173 1.00 0.00 C ATOM 0 H PHE A 22 0.244 -8.440 9.241 1.00 0.00 H new ATOM 0 HA PHE A 22 2.336 -6.468 9.019 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.267 -7.082 7.573 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.645 -5.641 7.170 1.00 0.00 H new ATOM 0 HD1 PHE A 22 2.532 -8.516 8.424 1.00 0.00 H new ATOM 0 HD2 PHE A 22 1.014 -6.614 4.881 1.00 0.00 H new ATOM 0 HE1 PHE A 22 4.066 -9.881 7.031 1.00 0.00 H new ATOM 0 HE2 PHE A 22 2.549 -7.978 3.493 1.00 0.00 H new ATOM 0 HZ PHE A 22 4.076 -9.609 4.567 1.00 0.00 H new ATOM 331 N LYS A 23 -0.362 -5.591 10.552 1.00 0.00 N ATOM 332 CA LYS A 23 -1.012 -4.460 11.272 1.00 0.00 C ATOM 333 C LYS A 23 -0.009 -3.816 12.234 1.00 0.00 C ATOM 334 O LYS A 23 -0.260 -2.769 12.797 1.00 0.00 O ATOM 335 CB LYS A 23 -2.211 -4.985 12.064 1.00 0.00 C ATOM 336 CG LYS A 23 -3.213 -3.850 12.288 1.00 0.00 C ATOM 337 CD LYS A 23 -4.558 -4.225 11.661 1.00 0.00 C ATOM 338 CE LYS A 23 -5.671 -4.054 12.696 1.00 0.00 C ATOM 339 NZ LYS A 23 -6.233 -2.677 12.600 1.00 0.00 N ATOM 0 H LYS A 23 -0.750 -6.512 10.754 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.347 -3.716 10.549 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.687 -5.803 11.523 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.880 -5.386 13.022 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.336 -3.665 13.355 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -2.838 -2.927 11.845 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.754 -3.595 10.793 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.531 -5.256 11.307 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.456 -4.791 12.526 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.280 -4.229 13.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.990 -2.561 13.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.481 -1.982 12.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.621 -2.526 11.647 1.00 0.00 H new ATOM 353 N ALA A 24 1.124 -4.434 12.430 1.00 0.00 N ATOM 354 CA ALA A 24 2.136 -3.855 13.360 1.00 0.00 C ATOM 355 C ALA A 24 3.055 -2.902 12.593 1.00 0.00 C ATOM 356 O ALA A 24 3.126 -1.724 12.882 1.00 0.00 O ATOM 357 CB ALA A 24 2.971 -4.984 13.970 1.00 0.00 C ATOM 0 H ALA A 24 1.393 -5.313 11.988 1.00 0.00 H new ATOM 0 HA ALA A 24 1.626 -3.307 14.152 1.00 0.00 H new ATOM 0 HB1 ALA A 24 3.711 -4.562 14.650 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.319 -5.663 14.519 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.478 -5.531 13.176 1.00 0.00 H new ATOM 363 N ALA A 25 3.764 -3.404 11.618 1.00 0.00 N ATOM 364 CA ALA A 25 4.682 -2.530 10.833 1.00 0.00 C ATOM 365 C ALA A 25 3.876 -1.437 10.130 1.00 0.00 C ATOM 366 O ALA A 25 4.367 -0.353 9.881 1.00 0.00 O ATOM 367 CB ALA A 25 5.415 -3.372 9.788 1.00 0.00 C ATOM 0 H ALA A 25 3.747 -4.383 11.331 1.00 0.00 H new ATOM 0 HA ALA A 25 5.406 -2.070 11.506 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.087 -2.735 9.213 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.992 -4.150 10.287 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.689 -3.832 9.118 1.00 0.00 H new ATOM 373 N PHE A 26 2.644 -1.712 9.805 1.00 0.00 N ATOM 374 CA PHE A 26 1.812 -0.688 9.115 1.00 0.00 C ATOM 375 C PHE A 26 1.695 0.556 9.997 1.00 0.00 C ATOM 376 O PHE A 26 1.537 1.659 9.513 1.00 0.00 O ATOM 377 CB PHE A 26 0.421 -1.259 8.844 1.00 0.00 C ATOM 378 CG PHE A 26 0.326 -1.662 7.393 1.00 0.00 C ATOM 379 CD1 PHE A 26 0.987 -2.811 6.940 1.00 0.00 C ATOM 380 CD2 PHE A 26 -0.418 -0.885 6.499 1.00 0.00 C ATOM 381 CE1 PHE A 26 0.902 -3.182 5.593 1.00 0.00 C ATOM 382 CE2 PHE A 26 -0.501 -1.255 5.152 1.00 0.00 C ATOM 383 CZ PHE A 26 0.158 -2.404 4.699 1.00 0.00 C ATOM 0 H PHE A 26 2.178 -2.601 9.987 1.00 0.00 H new ATOM 0 HA PHE A 26 2.281 -0.416 8.169 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.237 -2.120 9.486 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.342 -0.517 9.079 1.00 0.00 H new ATOM 0 HD1 PHE A 26 1.562 -3.411 7.630 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -0.928 0.000 6.848 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.411 -4.068 5.244 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.074 -0.654 4.461 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.092 -2.690 3.660 1.00 0.00 H new ATOM 393 N ASP A 27 1.778 0.391 11.290 1.00 0.00 N ATOM 394 CA ASP A 27 1.678 1.569 12.196 1.00 0.00 C ATOM 395 C ASP A 27 3.004 2.330 12.175 1.00 0.00 C ATOM 396 O ASP A 27 3.036 3.544 12.160 1.00 0.00 O ATOM 397 CB ASP A 27 1.381 1.100 13.621 1.00 0.00 C ATOM 398 CG ASP A 27 1.402 2.301 14.568 1.00 0.00 C ATOM 399 OD1 ASP A 27 0.370 2.934 14.713 1.00 0.00 O ATOM 400 OD2 ASP A 27 2.451 2.570 15.130 1.00 0.00 O ATOM 0 H ASP A 27 1.910 -0.507 11.756 1.00 0.00 H new ATOM 0 HA ASP A 27 0.873 2.222 11.859 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.408 0.611 13.659 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.121 0.363 13.934 1.00 0.00 H new ATOM 405 N MET A 28 4.102 1.624 12.172 1.00 0.00 N ATOM 406 CA MET A 28 5.426 2.306 12.148 1.00 0.00 C ATOM 407 C MET A 28 5.484 3.247 10.945 1.00 0.00 C ATOM 408 O MET A 28 5.940 4.369 11.043 1.00 0.00 O ATOM 409 CB MET A 28 6.536 1.258 12.033 1.00 0.00 C ATOM 410 CG MET A 28 7.836 1.823 12.610 1.00 0.00 C ATOM 411 SD MET A 28 9.242 0.904 11.938 1.00 0.00 S ATOM 412 CE MET A 28 9.140 -0.517 13.053 1.00 0.00 C ATOM 0 H MET A 28 4.139 0.605 12.185 1.00 0.00 H new ATOM 0 HA MET A 28 5.563 2.878 13.066 1.00 0.00 H new ATOM 0 HB2 MET A 28 6.252 0.352 12.569 1.00 0.00 H new ATOM 0 HB3 MET A 28 6.680 0.979 10.989 1.00 0.00 H new ATOM 0 HG2 MET A 28 7.927 2.881 12.362 1.00 0.00 H new ATOM 0 HG3 MET A 28 7.826 1.750 13.697 1.00 0.00 H new ATOM 0 HE1 MET A 28 9.932 -1.226 12.812 1.00 0.00 H new ATOM 0 HE2 MET A 28 9.256 -0.180 14.083 1.00 0.00 H new ATOM 0 HE3 MET A 28 8.171 -1.002 12.937 1.00 0.00 H new ATOM 422 N PHE A 29 5.021 2.800 9.809 1.00 0.00 N ATOM 423 CA PHE A 29 5.045 3.672 8.601 1.00 0.00 C ATOM 424 C PHE A 29 4.292 4.969 8.901 1.00 0.00 C ATOM 425 O PHE A 29 4.881 6.025 9.020 1.00 0.00 O ATOM 426 CB PHE A 29 4.371 2.945 7.436 1.00 0.00 C ATOM 427 CG PHE A 29 5.252 1.806 6.979 1.00 0.00 C ATOM 428 CD1 PHE A 29 6.578 2.053 6.605 1.00 0.00 C ATOM 429 CD2 PHE A 29 4.743 0.503 6.933 1.00 0.00 C ATOM 430 CE1 PHE A 29 7.396 0.998 6.186 1.00 0.00 C ATOM 431 CE2 PHE A 29 5.561 -0.553 6.512 1.00 0.00 C ATOM 432 CZ PHE A 29 6.887 -0.306 6.138 1.00 0.00 C ATOM 0 H PHE A 29 4.628 1.870 9.666 1.00 0.00 H new ATOM 0 HA PHE A 29 6.076 3.903 8.334 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.397 2.565 7.745 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.197 3.638 6.613 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.970 3.059 6.640 1.00 0.00 H new ATOM 0 HD2 PHE A 29 3.720 0.312 7.222 1.00 0.00 H new ATOM 0 HE1 PHE A 29 8.420 1.189 5.900 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.168 -1.558 6.476 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.517 -1.120 5.813 1.00 0.00 H new ATOM 442 N ASP A 30 2.995 4.897 9.027 1.00 0.00 N ATOM 443 CA ASP A 30 2.206 6.126 9.324 1.00 0.00 C ATOM 444 C ASP A 30 2.570 6.637 10.719 1.00 0.00 C ATOM 445 O ASP A 30 3.676 6.456 11.188 1.00 0.00 O ATOM 446 CB ASP A 30 0.713 5.796 9.275 1.00 0.00 C ATOM 447 CG ASP A 30 -0.070 7.030 8.823 1.00 0.00 C ATOM 448 OD1 ASP A 30 0.477 7.809 8.059 1.00 0.00 O ATOM 449 OD2 ASP A 30 -1.204 7.175 9.248 1.00 0.00 O ATOM 0 H ASP A 30 2.448 4.041 8.937 1.00 0.00 H new ATOM 0 HA ASP A 30 2.433 6.894 8.584 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.535 4.968 8.588 1.00 0.00 H new ATOM 0 HB3 ASP A 30 0.369 5.474 10.258 1.00 0.00 H new ATOM 454 N ALA A 31 1.647 7.272 11.386 1.00 0.00 N ATOM 455 CA ALA A 31 1.938 7.793 12.752 1.00 0.00 C ATOM 456 C ALA A 31 0.697 8.500 13.300 1.00 0.00 C ATOM 457 O ALA A 31 0.219 8.192 14.375 1.00 0.00 O ATOM 458 CB ALA A 31 3.103 8.782 12.686 1.00 0.00 C ATOM 0 H ALA A 31 0.703 7.453 11.045 1.00 0.00 H new ATOM 0 HA ALA A 31 2.205 6.965 13.408 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.315 9.162 13.685 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.987 8.278 12.295 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.839 9.612 12.031 1.00 0.00 H new ATOM 464 N ASP A 32 0.170 9.445 12.570 1.00 0.00 N ATOM 465 CA ASP A 32 -1.038 10.172 13.048 1.00 0.00 C ATOM 466 C ASP A 32 -2.234 9.218 13.069 1.00 0.00 C ATOM 467 O ASP A 32 -3.272 9.521 13.626 1.00 0.00 O ATOM 468 CB ASP A 32 -1.337 11.341 12.107 1.00 0.00 C ATOM 469 CG ASP A 32 -1.660 12.589 12.929 1.00 0.00 C ATOM 470 OD1 ASP A 32 -1.843 12.453 14.129 1.00 0.00 O ATOM 471 OD2 ASP A 32 -1.719 13.660 12.349 1.00 0.00 O ATOM 0 H ASP A 32 0.525 9.745 11.662 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.857 10.551 14.054 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.480 11.530 11.461 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.177 11.093 11.458 1.00 0.00 H new ATOM 476 N GLY A 33 -2.099 8.068 12.469 1.00 0.00 N ATOM 477 CA GLY A 33 -3.229 7.096 12.457 1.00 0.00 C ATOM 478 C GLY A 33 -2.687 5.677 12.639 1.00 0.00 C ATOM 479 O GLY A 33 -3.278 4.859 13.316 1.00 0.00 O ATOM 0 H GLY A 33 -1.255 7.759 11.986 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.934 7.332 13.254 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.775 7.170 11.517 1.00 0.00 H new ATOM 483 N GLY A 34 -1.568 5.377 12.039 1.00 0.00 N ATOM 484 CA GLY A 34 -0.990 4.011 12.178 1.00 0.00 C ATOM 485 C GLY A 34 -1.900 2.998 11.481 1.00 0.00 C ATOM 486 O GLY A 34 -2.683 2.315 12.111 1.00 0.00 O ATOM 0 H GLY A 34 -1.029 6.019 11.458 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.008 3.981 11.740 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.884 3.755 13.232 1.00 0.00 H new ATOM 490 N GLY A 35 -1.802 2.894 10.184 1.00 0.00 N ATOM 491 CA GLY A 35 -2.662 1.925 9.446 1.00 0.00 C ATOM 492 C GLY A 35 -3.097 2.541 8.115 1.00 0.00 C ATOM 493 O GLY A 35 -3.624 1.869 7.252 1.00 0.00 O ATOM 0 H GLY A 35 -1.164 3.438 9.603 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.115 0.999 9.269 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.537 1.670 10.044 1.00 0.00 H new ATOM 497 N ASP A 36 -2.880 3.816 7.943 1.00 0.00 N ATOM 498 CA ASP A 36 -3.279 4.476 6.668 1.00 0.00 C ATOM 499 C ASP A 36 -2.197 5.474 6.256 1.00 0.00 C ATOM 500 O ASP A 36 -1.790 6.316 7.032 1.00 0.00 O ATOM 501 CB ASP A 36 -4.606 5.212 6.867 1.00 0.00 C ATOM 502 CG ASP A 36 -5.763 4.302 6.449 1.00 0.00 C ATOM 503 OD1 ASP A 36 -6.074 3.391 7.197 1.00 0.00 O ATOM 504 OD2 ASP A 36 -6.319 4.533 5.387 1.00 0.00 O ATOM 0 H ASP A 36 -2.443 4.430 8.631 1.00 0.00 H new ATOM 0 HA ASP A 36 -3.397 3.724 5.888 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.719 5.505 7.911 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -4.618 6.128 6.276 1.00 0.00 H new ATOM 509 N ILE A 37 -1.722 5.386 5.045 1.00 0.00 N ATOM 510 CA ILE A 37 -0.661 6.330 4.592 1.00 0.00 C ATOM 511 C ILE A 37 -1.253 7.319 3.586 1.00 0.00 C ATOM 512 O ILE A 37 -2.112 6.981 2.798 1.00 0.00 O ATOM 513 CB ILE A 37 0.485 5.560 3.923 1.00 0.00 C ATOM 514 CG1 ILE A 37 0.412 4.073 4.290 1.00 0.00 C ATOM 515 CG2 ILE A 37 1.823 6.129 4.397 1.00 0.00 C ATOM 516 CD1 ILE A 37 0.475 3.918 5.808 1.00 0.00 C ATOM 0 H ILE A 37 -2.022 4.702 4.350 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.275 6.866 5.459 1.00 0.00 H new ATOM 0 HB ILE A 37 0.397 5.665 2.842 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.512 3.638 3.908 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.236 3.532 3.824 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.639 5.583 3.923 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.886 7.183 4.127 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.899 6.027 5.480 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.423 2.861 6.068 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.411 4.337 6.178 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.364 4.445 6.263 1.00 0.00 H new ATOM 528 N SER A 38 -0.790 8.539 3.601 1.00 0.00 N ATOM 529 CA SER A 38 -1.316 9.547 2.641 1.00 0.00 C ATOM 530 C SER A 38 -0.229 9.866 1.613 1.00 0.00 C ATOM 531 O SER A 38 0.893 9.417 1.731 1.00 0.00 O ATOM 532 CB SER A 38 -1.701 10.819 3.395 1.00 0.00 C ATOM 533 OG SER A 38 -3.086 10.774 3.713 1.00 0.00 O ATOM 0 H SER A 38 -0.070 8.880 4.237 1.00 0.00 H new ATOM 0 HA SER A 38 -2.197 9.153 2.135 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.109 10.909 4.306 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.484 11.697 2.786 1.00 0.00 H new ATOM 0 HG SER A 38 -3.337 11.588 4.198 1.00 0.00 H new ATOM 539 N THR A 39 -0.545 10.633 0.607 1.00 0.00 N ATOM 540 CA THR A 39 0.485 10.967 -0.417 1.00 0.00 C ATOM 541 C THR A 39 1.663 11.675 0.253 1.00 0.00 C ATOM 542 O THR A 39 2.749 11.742 -0.288 1.00 0.00 O ATOM 543 CB THR A 39 -0.126 11.882 -1.481 1.00 0.00 C ATOM 544 OG1 THR A 39 -0.401 13.153 -0.909 1.00 0.00 O ATOM 545 CG2 THR A 39 -1.422 11.264 -2.007 1.00 0.00 C ATOM 0 H THR A 39 -1.466 11.041 0.450 1.00 0.00 H new ATOM 0 HA THR A 39 0.836 10.049 -0.889 1.00 0.00 H new ATOM 0 HB THR A 39 0.577 11.999 -2.306 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.933 13.686 -1.536 1.00 0.00 H new ATOM 0 HG21 THR A 39 -1.855 11.917 -2.764 1.00 0.00 H new ATOM 0 HG22 THR A 39 -1.208 10.290 -2.447 1.00 0.00 H new ATOM 0 HG23 THR A 39 -2.128 11.144 -1.185 1.00 0.00 H new ATOM 553 N LYS A 40 1.461 12.205 1.429 1.00 0.00 N ATOM 554 CA LYS A 40 2.574 12.907 2.130 1.00 0.00 C ATOM 555 C LYS A 40 3.529 11.871 2.730 1.00 0.00 C ATOM 556 O LYS A 40 4.674 11.768 2.336 1.00 0.00 O ATOM 557 CB LYS A 40 2.005 13.785 3.247 1.00 0.00 C ATOM 558 CG LYS A 40 3.149 14.298 4.123 1.00 0.00 C ATOM 559 CD LYS A 40 2.588 15.208 5.217 1.00 0.00 C ATOM 560 CE LYS A 40 3.677 15.488 6.255 1.00 0.00 C ATOM 561 NZ LYS A 40 3.049 15.981 7.514 1.00 0.00 N ATOM 0 H LYS A 40 0.575 12.182 1.934 1.00 0.00 H new ATOM 0 HA LYS A 40 3.114 13.533 1.419 1.00 0.00 H new ATOM 0 HB2 LYS A 40 1.455 14.624 2.821 1.00 0.00 H new ATOM 0 HB3 LYS A 40 1.299 13.214 3.850 1.00 0.00 H new ATOM 0 HG2 LYS A 40 3.682 13.459 4.571 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.869 14.845 3.515 1.00 0.00 H new ATOM 0 HD2 LYS A 40 2.236 16.143 4.782 1.00 0.00 H new ATOM 0 HD3 LYS A 40 1.729 14.735 5.693 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.248 14.581 6.452 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.378 16.229 5.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.789 16.171 8.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 2.522 16.857 7.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.397 15.259 7.882 1.00 0.00 H new ATOM 575 N GLU A 41 3.066 11.103 3.677 1.00 0.00 N ATOM 576 CA GLU A 41 3.947 10.071 4.299 1.00 0.00 C ATOM 577 C GLU A 41 4.112 8.893 3.335 1.00 0.00 C ATOM 578 O GLU A 41 4.794 7.931 3.627 1.00 0.00 O ATOM 579 CB GLU A 41 3.312 9.577 5.600 1.00 0.00 C ATOM 580 CG GLU A 41 4.401 9.036 6.530 1.00 0.00 C ATOM 581 CD GLU A 41 4.073 9.414 7.975 1.00 0.00 C ATOM 582 OE1 GLU A 41 3.103 8.892 8.498 1.00 0.00 O ATOM 583 OE2 GLU A 41 4.799 10.220 8.534 1.00 0.00 O ATOM 0 H GLU A 41 2.117 11.144 4.048 1.00 0.00 H new ATOM 0 HA GLU A 41 4.923 10.507 4.512 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.776 10.391 6.087 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.581 8.797 5.387 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.471 7.953 6.433 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.371 9.445 6.247 1.00 0.00 H new ATOM 590 N LEU A 42 3.488 8.957 2.190 1.00 0.00 N ATOM 591 CA LEU A 42 3.605 7.839 1.210 1.00 0.00 C ATOM 592 C LEU A 42 4.785 8.095 0.270 1.00 0.00 C ATOM 593 O LEU A 42 5.476 7.184 -0.137 1.00 0.00 O ATOM 594 CB LEU A 42 2.316 7.746 0.393 1.00 0.00 C ATOM 595 CG LEU A 42 2.469 6.670 -0.682 1.00 0.00 C ATOM 596 CD1 LEU A 42 1.452 5.554 -0.436 1.00 0.00 C ATOM 597 CD2 LEU A 42 2.223 7.288 -2.059 1.00 0.00 C ATOM 0 H LEU A 42 2.902 9.736 1.891 1.00 0.00 H new ATOM 0 HA LEU A 42 3.769 6.904 1.747 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.476 7.506 1.045 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.096 8.708 -0.069 1.00 0.00 H new ATOM 0 HG LEU A 42 3.477 6.258 -0.642 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.561 4.787 -1.203 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.626 5.113 0.546 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.443 5.966 -0.476 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.332 6.522 -2.826 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.215 7.700 -2.098 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.947 8.083 -2.235 1.00 0.00 H new ATOM 609 N GLY A 43 5.014 9.330 -0.086 1.00 0.00 N ATOM 610 CA GLY A 43 6.142 9.643 -1.009 1.00 0.00 C ATOM 611 C GLY A 43 7.423 9.886 -0.211 1.00 0.00 C ATOM 612 O GLY A 43 8.508 9.877 -0.751 1.00 0.00 O ATOM 0 H GLY A 43 4.469 10.135 0.222 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.290 8.819 -1.707 1.00 0.00 H new ATOM 0 HA3 GLY A 43 5.902 10.525 -1.603 1.00 0.00 H new ATOM 616 N THR A 44 7.312 10.106 1.068 1.00 0.00 N ATOM 617 CA THR A 44 8.535 10.351 1.882 1.00 0.00 C ATOM 618 C THR A 44 9.087 9.020 2.392 1.00 0.00 C ATOM 619 O THR A 44 10.278 8.788 2.381 1.00 0.00 O ATOM 620 CB THR A 44 8.188 11.248 3.071 1.00 0.00 C ATOM 621 OG1 THR A 44 6.841 11.013 3.459 1.00 0.00 O ATOM 622 CG2 THR A 44 8.358 12.715 2.673 1.00 0.00 C ATOM 0 H THR A 44 6.432 10.127 1.584 1.00 0.00 H new ATOM 0 HA THR A 44 9.287 10.842 1.264 1.00 0.00 H new ATOM 0 HB THR A 44 8.853 11.022 3.905 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.241 11.542 2.893 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.110 13.353 3.521 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.391 12.894 2.374 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.694 12.945 1.840 1.00 0.00 H new ATOM 630 N VAL A 45 8.234 8.143 2.840 1.00 0.00 N ATOM 631 CA VAL A 45 8.714 6.829 3.353 1.00 0.00 C ATOM 632 C VAL A 45 9.597 6.161 2.301 1.00 0.00 C ATOM 633 O VAL A 45 10.667 5.666 2.596 1.00 0.00 O ATOM 634 CB VAL A 45 7.513 5.932 3.650 1.00 0.00 C ATOM 635 CG1 VAL A 45 6.757 6.474 4.865 1.00 0.00 C ATOM 636 CG2 VAL A 45 6.581 5.916 2.438 1.00 0.00 C ATOM 0 H VAL A 45 7.224 8.279 2.873 1.00 0.00 H new ATOM 0 HA VAL A 45 9.290 6.984 4.265 1.00 0.00 H new ATOM 0 HB VAL A 45 7.859 4.920 3.860 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.901 5.834 5.076 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.421 6.489 5.730 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.410 7.486 4.656 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.723 5.277 2.647 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.237 6.929 2.230 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.118 5.531 1.571 1.00 0.00 H new ATOM 646 N MET A 46 9.157 6.140 1.075 1.00 0.00 N ATOM 647 CA MET A 46 9.971 5.498 0.006 1.00 0.00 C ATOM 648 C MET A 46 10.977 6.506 -0.555 1.00 0.00 C ATOM 649 O MET A 46 12.099 6.162 -0.871 1.00 0.00 O ATOM 650 CB MET A 46 9.052 5.008 -1.117 1.00 0.00 C ATOM 651 CG MET A 46 7.951 6.037 -1.379 1.00 0.00 C ATOM 652 SD MET A 46 7.624 6.129 -3.156 1.00 0.00 S ATOM 653 CE MET A 46 6.854 4.502 -3.327 1.00 0.00 C ATOM 0 H MET A 46 8.270 6.539 0.767 1.00 0.00 H new ATOM 0 HA MET A 46 10.510 4.650 0.427 1.00 0.00 H new ATOM 0 HB2 MET A 46 9.631 4.843 -2.026 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.609 4.051 -0.843 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.043 5.758 -0.845 1.00 0.00 H new ATOM 0 HG3 MET A 46 8.254 7.014 -1.003 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.378 4.426 -4.305 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.615 3.727 -3.232 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.104 4.371 -2.547 1.00 0.00 H new ATOM 663 N ARG A 47 10.590 7.745 -0.684 1.00 0.00 N ATOM 664 CA ARG A 47 11.533 8.762 -1.228 1.00 0.00 C ATOM 665 C ARG A 47 12.310 9.419 -0.083 1.00 0.00 C ATOM 666 O ARG A 47 12.886 10.477 -0.242 1.00 0.00 O ATOM 667 CB ARG A 47 10.753 9.823 -2.003 1.00 0.00 C ATOM 668 CG ARG A 47 11.550 10.236 -3.242 1.00 0.00 C ATOM 669 CD ARG A 47 11.464 9.129 -4.296 1.00 0.00 C ATOM 670 NE ARG A 47 10.592 9.576 -5.419 1.00 0.00 N ATOM 671 CZ ARG A 47 10.384 8.787 -6.438 1.00 0.00 C ATOM 672 NH1 ARG A 47 9.589 7.759 -6.316 1.00 0.00 N ATOM 673 NH2 ARG A 47 10.970 9.025 -7.578 1.00 0.00 N ATOM 0 H ARG A 47 9.665 8.096 -0.437 1.00 0.00 H new ATOM 0 HA ARG A 47 12.239 8.273 -1.900 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.779 9.432 -2.297 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.570 10.691 -1.369 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.157 11.169 -3.646 1.00 0.00 H new ATOM 0 HG3 ARG A 47 12.591 10.418 -2.974 1.00 0.00 H new ATOM 0 HD2 ARG A 47 12.460 8.889 -4.669 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.063 8.219 -3.850 1.00 0.00 H new ATOM 0 HE ARG A 47 10.158 10.499 -5.391 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.130 7.572 -5.424 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.427 7.143 -7.112 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.591 9.828 -7.674 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.807 8.408 -8.374 1.00 0.00 H new ATOM 687 N MET A 48 12.342 8.800 1.068 1.00 0.00 N ATOM 688 CA MET A 48 13.095 9.397 2.207 1.00 0.00 C ATOM 689 C MET A 48 14.586 9.381 1.874 1.00 0.00 C ATOM 690 O MET A 48 15.292 10.350 2.074 1.00 0.00 O ATOM 691 CB MET A 48 12.850 8.580 3.480 1.00 0.00 C ATOM 692 CG MET A 48 13.722 9.123 4.614 1.00 0.00 C ATOM 693 SD MET A 48 12.781 10.341 5.569 1.00 0.00 S ATOM 694 CE MET A 48 11.711 9.172 6.443 1.00 0.00 C ATOM 0 H MET A 48 11.882 7.912 1.267 1.00 0.00 H new ATOM 0 HA MET A 48 12.758 10.421 2.371 1.00 0.00 H new ATOM 0 HB2 MET A 48 11.798 8.631 3.760 1.00 0.00 H new ATOM 0 HB3 MET A 48 13.081 7.530 3.301 1.00 0.00 H new ATOM 0 HG2 MET A 48 14.044 8.308 5.262 1.00 0.00 H new ATOM 0 HG3 MET A 48 14.623 9.582 4.207 1.00 0.00 H new ATOM 0 HE1 MET A 48 10.669 9.382 6.202 1.00 0.00 H new ATOM 0 HE2 MET A 48 11.956 8.155 6.136 1.00 0.00 H new ATOM 0 HE3 MET A 48 11.863 9.273 7.518 1.00 0.00 H new ATOM 704 N LEU A 49 15.069 8.283 1.361 1.00 0.00 N ATOM 705 CA LEU A 49 16.512 8.192 1.006 1.00 0.00 C ATOM 706 C LEU A 49 16.706 8.644 -0.444 1.00 0.00 C ATOM 707 O LEU A 49 17.518 8.103 -1.170 1.00 0.00 O ATOM 708 CB LEU A 49 16.986 6.744 1.162 1.00 0.00 C ATOM 709 CG LEU A 49 15.918 5.791 0.619 1.00 0.00 C ATOM 710 CD1 LEU A 49 16.594 4.585 -0.035 1.00 0.00 C ATOM 711 CD2 LEU A 49 15.029 5.312 1.770 1.00 0.00 C ATOM 0 H LEU A 49 14.524 7.442 1.172 1.00 0.00 H new ATOM 0 HA LEU A 49 17.093 8.834 1.668 1.00 0.00 H new ATOM 0 HB2 LEU A 49 17.924 6.598 0.626 1.00 0.00 H new ATOM 0 HB3 LEU A 49 17.182 6.526 2.212 1.00 0.00 H new ATOM 0 HG LEU A 49 15.309 6.312 -0.120 1.00 0.00 H new ATOM 0 HD11 LEU A 49 15.833 3.907 -0.421 1.00 0.00 H new ATOM 0 HD12 LEU A 49 17.228 4.923 -0.854 1.00 0.00 H new ATOM 0 HD13 LEU A 49 17.203 4.064 0.704 1.00 0.00 H new ATOM 0 HD21 LEU A 49 14.268 4.633 1.384 1.00 0.00 H new ATOM 0 HD22 LEU A 49 15.639 4.791 2.508 1.00 0.00 H new ATOM 0 HD23 LEU A 49 14.546 6.170 2.238 1.00 0.00 H new ATOM 723 N GLY A 50 15.965 9.630 -0.872 1.00 0.00 N ATOM 724 CA GLY A 50 16.107 10.114 -2.275 1.00 0.00 C ATOM 725 C GLY A 50 16.009 11.641 -2.304 1.00 0.00 C ATOM 726 O GLY A 50 16.984 12.338 -2.104 1.00 0.00 O ATOM 0 H GLY A 50 15.268 10.121 -0.312 1.00 0.00 H new ATOM 0 HA2 GLY A 50 17.064 9.793 -2.686 1.00 0.00 H new ATOM 0 HA3 GLY A 50 15.329 9.678 -2.901 1.00 0.00 H new ATOM 730 N GLN A 51 14.840 12.168 -2.557 1.00 0.00 N ATOM 731 CA GLN A 51 14.681 13.649 -2.604 1.00 0.00 C ATOM 732 C GLN A 51 13.294 13.996 -2.106 1.00 0.00 C ATOM 733 O GLN A 51 12.379 13.209 -2.245 1.00 0.00 O ATOM 734 CB GLN A 51 14.775 14.149 -4.047 1.00 0.00 C ATOM 735 CG GLN A 51 15.450 13.104 -4.939 1.00 0.00 C ATOM 736 CD GLN A 51 16.957 13.105 -4.680 1.00 0.00 C ATOM 737 OE1 GLN A 51 17.517 14.112 -4.294 1.00 0.00 O ATOM 738 NE2 GLN A 51 17.641 12.012 -4.876 1.00 0.00 N ATOM 0 H GLN A 51 13.988 11.635 -2.733 1.00 0.00 H new ATOM 0 HA GLN A 51 15.462 14.106 -1.996 1.00 0.00 H new ATOM 0 HB2 GLN A 51 13.777 14.369 -4.427 1.00 0.00 H new ATOM 0 HB3 GLN A 51 15.340 15.081 -4.078 1.00 0.00 H new ATOM 0 HG2 GLN A 51 15.037 12.116 -4.736 1.00 0.00 H new ATOM 0 HG3 GLN A 51 15.251 13.323 -5.988 1.00 0.00 H new ATOM 0 HE21 GLN A 51 17.170 11.167 -5.200 1.00 0.00 H new ATOM 0 HE22 GLN A 51 18.647 12.002 -4.705 1.00 0.00 H new ATOM 747 N ASN A 52 13.083 15.164 -1.569 1.00 0.00 N ATOM 748 CA ASN A 52 11.699 15.451 -1.158 1.00 0.00 C ATOM 749 C ASN A 52 10.897 15.461 -2.456 1.00 0.00 C ATOM 750 O ASN A 52 11.266 16.138 -3.396 1.00 0.00 O ATOM 751 CB ASN A 52 11.624 16.827 -0.493 1.00 0.00 C ATOM 752 CG ASN A 52 12.765 16.971 0.515 1.00 0.00 C ATOM 753 OD1 ASN A 52 12.921 16.147 1.394 1.00 0.00 O ATOM 754 ND2 ASN A 52 13.574 17.990 0.425 1.00 0.00 N ATOM 0 H ASN A 52 13.776 15.895 -1.406 1.00 0.00 H new ATOM 0 HA ASN A 52 11.323 14.720 -0.443 1.00 0.00 H new ATOM 0 HB2 ASN A 52 11.690 17.611 -1.247 1.00 0.00 H new ATOM 0 HB3 ASN A 52 10.664 16.948 0.009 1.00 0.00 H new ATOM 0 HD21 ASN A 52 14.338 18.095 1.093 1.00 0.00 H new ATOM 0 HD22 ASN A 52 13.443 18.682 -0.313 1.00 0.00 H new ATOM 761 N PRO A 53 9.833 14.719 -2.487 1.00 0.00 N ATOM 762 CA PRO A 53 8.982 14.636 -3.673 1.00 0.00 C ATOM 763 C PRO A 53 7.876 15.694 -3.615 1.00 0.00 C ATOM 764 O PRO A 53 7.907 16.592 -2.798 1.00 0.00 O ATOM 765 CB PRO A 53 8.412 13.222 -3.572 1.00 0.00 C ATOM 766 CG PRO A 53 8.488 12.826 -2.073 1.00 0.00 C ATOM 767 CD PRO A 53 9.407 13.848 -1.384 1.00 0.00 C ATOM 0 HA PRO A 53 9.508 14.818 -4.610 1.00 0.00 H new ATOM 0 HB2 PRO A 53 7.383 13.191 -3.930 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.984 12.527 -4.187 1.00 0.00 H new ATOM 0 HG2 PRO A 53 7.496 12.834 -1.621 1.00 0.00 H new ATOM 0 HG3 PRO A 53 8.882 11.816 -1.960 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.879 14.407 -0.611 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.257 13.364 -0.903 1.00 0.00 H new ATOM 775 N THR A 54 6.905 15.598 -4.480 1.00 0.00 N ATOM 776 CA THR A 54 5.805 16.605 -4.478 1.00 0.00 C ATOM 777 C THR A 54 4.504 15.954 -4.013 1.00 0.00 C ATOM 778 O THR A 54 4.302 14.767 -4.169 1.00 0.00 O ATOM 779 CB THR A 54 5.610 17.145 -5.893 1.00 0.00 C ATOM 780 OG1 THR A 54 6.875 17.450 -6.464 1.00 0.00 O ATOM 781 CG2 THR A 54 4.753 18.408 -5.840 1.00 0.00 C ATOM 0 H THR A 54 6.825 14.868 -5.187 1.00 0.00 H new ATOM 0 HA THR A 54 6.068 17.417 -3.801 1.00 0.00 H new ATOM 0 HB THR A 54 5.111 16.393 -6.504 1.00 0.00 H new ATOM 0 HG1 THR A 54 6.749 17.795 -7.373 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.613 18.795 -6.849 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.782 18.171 -5.404 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.251 19.160 -5.229 1.00 0.00 H new ATOM 789 N LYS A 55 3.613 16.724 -3.455 1.00 0.00 N ATOM 790 CA LYS A 55 2.319 16.150 -2.994 1.00 0.00 C ATOM 791 C LYS A 55 1.529 15.662 -4.205 1.00 0.00 C ATOM 792 O LYS A 55 0.739 14.743 -4.117 1.00 0.00 O ATOM 793 CB LYS A 55 1.511 17.224 -2.265 1.00 0.00 C ATOM 794 CG LYS A 55 0.253 16.595 -1.658 1.00 0.00 C ATOM 795 CD LYS A 55 -0.980 17.367 -2.128 1.00 0.00 C ATOM 796 CE LYS A 55 -2.231 16.781 -1.471 1.00 0.00 C ATOM 797 NZ LYS A 55 -3.356 17.753 -1.587 1.00 0.00 N ATOM 0 H LYS A 55 3.725 17.726 -3.298 1.00 0.00 H new ATOM 0 HA LYS A 55 2.511 15.318 -2.316 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.116 17.680 -1.482 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.235 18.019 -2.958 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.176 15.549 -1.956 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.313 16.613 -0.570 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -0.882 18.422 -1.871 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.066 17.310 -3.213 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.499 15.839 -1.950 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.034 16.560 -0.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.206 17.355 -1.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.098 18.641 -1.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -3.549 17.942 -2.591 1.00 0.00 H new ATOM 811 N GLU A 56 1.737 16.272 -5.338 1.00 0.00 N ATOM 812 CA GLU A 56 1.000 15.844 -6.557 1.00 0.00 C ATOM 813 C GLU A 56 1.784 14.732 -7.255 1.00 0.00 C ATOM 814 O GLU A 56 1.247 13.980 -8.044 1.00 0.00 O ATOM 815 CB GLU A 56 0.842 17.033 -7.507 1.00 0.00 C ATOM 816 CG GLU A 56 -0.494 16.921 -8.243 1.00 0.00 C ATOM 817 CD GLU A 56 -0.645 18.095 -9.212 1.00 0.00 C ATOM 818 OE1 GLU A 56 -1.124 19.132 -8.785 1.00 0.00 O ATOM 819 OE2 GLU A 56 -0.280 17.935 -10.365 1.00 0.00 O ATOM 0 H GLU A 56 2.385 17.048 -5.472 1.00 0.00 H new ATOM 0 HA GLU A 56 0.013 15.476 -6.276 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.884 17.968 -6.948 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.664 17.052 -8.223 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.543 15.978 -8.788 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.316 16.919 -7.527 1.00 0.00 H new ATOM 826 N GLU A 57 3.053 14.618 -6.966 1.00 0.00 N ATOM 827 CA GLU A 57 3.871 13.553 -7.608 1.00 0.00 C ATOM 828 C GLU A 57 3.479 12.196 -7.020 1.00 0.00 C ATOM 829 O GLU A 57 3.543 11.178 -7.682 1.00 0.00 O ATOM 830 CB GLU A 57 5.355 13.818 -7.344 1.00 0.00 C ATOM 831 CG GLU A 57 6.190 12.663 -7.900 1.00 0.00 C ATOM 832 CD GLU A 57 7.671 13.046 -7.876 1.00 0.00 C ATOM 833 OE1 GLU A 57 7.999 14.028 -7.232 1.00 0.00 O ATOM 834 OE2 GLU A 57 8.453 12.350 -8.504 1.00 0.00 O ATOM 0 H GLU A 57 3.557 15.218 -6.313 1.00 0.00 H new ATOM 0 HA GLU A 57 3.693 13.551 -8.683 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.656 14.756 -7.811 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.531 13.925 -6.274 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.026 11.763 -7.307 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.879 12.433 -8.919 1.00 0.00 H new ATOM 841 N LEU A 58 3.069 12.173 -5.781 1.00 0.00 N ATOM 842 CA LEU A 58 2.669 10.884 -5.151 1.00 0.00 C ATOM 843 C LEU A 58 1.258 10.512 -5.607 1.00 0.00 C ATOM 844 O LEU A 58 0.818 9.391 -5.447 1.00 0.00 O ATOM 845 CB LEU A 58 2.693 11.031 -3.628 1.00 0.00 C ATOM 846 CG LEU A 58 4.112 10.781 -3.115 1.00 0.00 C ATOM 847 CD1 LEU A 58 4.535 9.353 -3.464 1.00 0.00 C ATOM 848 CD2 LEU A 58 5.072 11.770 -3.775 1.00 0.00 C ATOM 0 H LEU A 58 2.994 12.992 -5.178 1.00 0.00 H new ATOM 0 HA LEU A 58 3.366 10.101 -5.450 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.362 12.030 -3.343 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.000 10.324 -3.173 1.00 0.00 H new ATOM 0 HG LEU A 58 4.137 10.915 -2.033 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.546 9.174 -3.099 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.850 8.646 -2.997 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.511 9.220 -4.546 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.084 11.593 -3.410 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.047 11.635 -4.856 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.771 12.788 -3.530 1.00 0.00 H new ATOM 860 N ASP A 59 0.547 11.444 -6.180 1.00 0.00 N ATOM 861 CA ASP A 59 -0.833 11.141 -6.651 1.00 0.00 C ATOM 862 C ASP A 59 -0.766 10.147 -7.813 1.00 0.00 C ATOM 863 O ASP A 59 -1.701 9.418 -8.075 1.00 0.00 O ATOM 864 CB ASP A 59 -1.506 12.434 -7.118 1.00 0.00 C ATOM 865 CG ASP A 59 -3.025 12.264 -7.072 1.00 0.00 C ATOM 866 OD1 ASP A 59 -3.470 11.169 -6.771 1.00 0.00 O ATOM 867 OD2 ASP A 59 -3.718 13.233 -7.335 1.00 0.00 O ATOM 0 H ASP A 59 0.862 12.401 -6.342 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.411 10.706 -5.836 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.203 13.265 -6.481 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.187 12.677 -8.132 1.00 0.00 H new ATOM 872 N ALA A 60 0.338 10.111 -8.511 1.00 0.00 N ATOM 873 CA ALA A 60 0.468 9.161 -9.654 1.00 0.00 C ATOM 874 C ALA A 60 0.513 7.730 -9.117 1.00 0.00 C ATOM 875 O ALA A 60 -0.246 6.877 -9.532 1.00 0.00 O ATOM 876 CB ALA A 60 1.754 9.461 -10.425 1.00 0.00 C ATOM 0 H ALA A 60 1.154 10.698 -8.339 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.386 9.273 -10.322 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.848 8.766 -11.260 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.721 10.482 -10.805 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.611 9.348 -9.761 1.00 0.00 H new ATOM 882 N ILE A 61 1.394 7.461 -8.193 1.00 0.00 N ATOM 883 CA ILE A 61 1.478 6.085 -7.625 1.00 0.00 C ATOM 884 C ILE A 61 0.254 5.844 -6.747 1.00 0.00 C ATOM 885 O ILE A 61 -0.112 4.719 -6.465 1.00 0.00 O ATOM 886 CB ILE A 61 2.739 5.949 -6.768 1.00 0.00 C ATOM 887 CG1 ILE A 61 3.833 6.864 -7.309 1.00 0.00 C ATOM 888 CG2 ILE A 61 3.230 4.505 -6.796 1.00 0.00 C ATOM 889 CD1 ILE A 61 3.894 8.117 -6.442 1.00 0.00 C ATOM 0 H ILE A 61 2.058 8.132 -7.807 1.00 0.00 H new ATOM 0 HA ILE A 61 1.516 5.358 -8.436 1.00 0.00 H new ATOM 0 HB ILE A 61 2.502 6.233 -5.742 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.794 6.350 -7.299 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.625 7.131 -8.345 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.128 4.414 -6.184 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.454 3.849 -6.401 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.460 4.219 -7.822 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.672 8.781 -6.817 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.933 8.630 -6.475 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.121 7.837 -5.413 1.00 0.00 H new ATOM 901 N ILE A 62 -0.377 6.896 -6.306 1.00 0.00 N ATOM 902 CA ILE A 62 -1.574 6.733 -5.441 1.00 0.00 C ATOM 903 C ILE A 62 -2.826 6.619 -6.318 1.00 0.00 C ATOM 904 O ILE A 62 -3.908 6.346 -5.837 1.00 0.00 O ATOM 905 CB ILE A 62 -1.691 7.946 -4.505 1.00 0.00 C ATOM 906 CG1 ILE A 62 -0.774 7.738 -3.297 1.00 0.00 C ATOM 907 CG2 ILE A 62 -3.135 8.106 -4.018 1.00 0.00 C ATOM 908 CD1 ILE A 62 -1.371 6.664 -2.384 1.00 0.00 C ATOM 0 H ILE A 62 -0.114 7.861 -6.508 1.00 0.00 H new ATOM 0 HA ILE A 62 -1.478 5.827 -4.842 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.399 8.844 -5.050 1.00 0.00 H new ATOM 0 HG12 ILE A 62 0.220 7.438 -3.629 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.658 8.673 -2.749 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.202 8.969 -3.356 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.793 8.253 -4.874 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.438 7.210 -3.477 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.719 6.515 -1.523 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.356 6.983 -2.042 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.464 5.728 -2.935 1.00 0.00 H new ATOM 920 N GLU A 63 -2.688 6.827 -7.600 1.00 0.00 N ATOM 921 CA GLU A 63 -3.873 6.733 -8.501 1.00 0.00 C ATOM 922 C GLU A 63 -4.104 5.272 -8.893 1.00 0.00 C ATOM 923 O GLU A 63 -5.223 4.846 -9.105 1.00 0.00 O ATOM 924 CB GLU A 63 -3.626 7.566 -9.760 1.00 0.00 C ATOM 925 CG GLU A 63 -4.967 7.981 -10.371 1.00 0.00 C ATOM 926 CD GLU A 63 -5.606 9.069 -9.507 1.00 0.00 C ATOM 927 OE1 GLU A 63 -5.126 9.282 -8.405 1.00 0.00 O ATOM 928 OE2 GLU A 63 -6.566 9.670 -9.960 1.00 0.00 O ATOM 0 H GLU A 63 -1.808 7.057 -8.062 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.753 7.113 -7.982 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.038 8.450 -9.514 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.048 6.989 -10.482 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.818 8.349 -11.386 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.630 7.119 -10.438 1.00 0.00 H new ATOM 935 N GLU A 64 -3.057 4.499 -8.993 1.00 0.00 N ATOM 936 CA GLU A 64 -3.223 3.067 -9.371 1.00 0.00 C ATOM 937 C GLU A 64 -3.581 2.250 -8.127 1.00 0.00 C ATOM 938 O GLU A 64 -3.618 1.036 -8.161 1.00 0.00 O ATOM 939 CB GLU A 64 -1.918 2.542 -9.972 1.00 0.00 C ATOM 940 CG GLU A 64 -0.825 2.544 -8.903 1.00 0.00 C ATOM 941 CD GLU A 64 -0.143 1.174 -8.868 1.00 0.00 C ATOM 942 OE1 GLU A 64 0.786 0.978 -9.633 1.00 0.00 O ATOM 943 OE2 GLU A 64 -0.562 0.346 -8.077 1.00 0.00 O ATOM 0 H GLU A 64 -2.095 4.797 -8.830 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.022 2.975 -10.107 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.063 1.532 -10.357 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.618 3.164 -10.815 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.092 3.322 -9.118 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.255 2.773 -7.928 1.00 0.00 H new ATOM 950 N VAL A 65 -3.847 2.906 -7.030 1.00 0.00 N ATOM 951 CA VAL A 65 -4.204 2.166 -5.786 1.00 0.00 C ATOM 952 C VAL A 65 -5.437 2.811 -5.150 1.00 0.00 C ATOM 953 O VAL A 65 -6.468 2.186 -4.999 1.00 0.00 O ATOM 954 CB VAL A 65 -3.037 2.218 -4.794 1.00 0.00 C ATOM 955 CG1 VAL A 65 -3.007 0.925 -3.977 1.00 0.00 C ATOM 956 CG2 VAL A 65 -1.717 2.369 -5.555 1.00 0.00 C ATOM 0 H VAL A 65 -3.833 3.922 -6.942 1.00 0.00 H new ATOM 0 HA VAL A 65 -4.417 1.127 -6.036 1.00 0.00 H new ATOM 0 HB VAL A 65 -3.168 3.070 -4.128 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.177 0.960 -3.271 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.944 0.818 -3.431 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.878 0.075 -4.646 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.890 2.406 -4.846 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.584 1.519 -6.224 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.736 3.290 -6.138 1.00 0.00 H new ATOM 966 N ASP A 66 -5.340 4.059 -4.778 1.00 0.00 N ATOM 967 CA ASP A 66 -6.509 4.743 -4.154 1.00 0.00 C ATOM 968 C ASP A 66 -7.565 5.023 -5.224 1.00 0.00 C ATOM 969 O ASP A 66 -7.619 6.097 -5.791 1.00 0.00 O ATOM 970 CB ASP A 66 -6.052 6.061 -3.526 1.00 0.00 C ATOM 971 CG ASP A 66 -5.576 5.806 -2.096 1.00 0.00 C ATOM 972 OD1 ASP A 66 -6.167 4.964 -1.438 1.00 0.00 O ATOM 973 OD2 ASP A 66 -4.631 6.455 -1.681 1.00 0.00 O ATOM 0 H ASP A 66 -4.503 4.634 -4.879 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.937 4.104 -3.382 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.246 6.497 -4.116 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.872 6.779 -3.525 1.00 0.00 H new ATOM 978 N GLU A 67 -8.406 4.065 -5.505 1.00 0.00 N ATOM 979 CA GLU A 67 -9.459 4.275 -6.539 1.00 0.00 C ATOM 980 C GLU A 67 -10.565 5.164 -5.970 1.00 0.00 C ATOM 981 O GLU A 67 -11.237 5.875 -6.691 1.00 0.00 O ATOM 982 CB GLU A 67 -10.047 2.923 -6.948 1.00 0.00 C ATOM 983 CG GLU A 67 -10.568 2.195 -5.706 1.00 0.00 C ATOM 984 CD GLU A 67 -12.029 1.797 -5.920 1.00 0.00 C ATOM 985 OE1 GLU A 67 -12.879 2.669 -5.835 1.00 0.00 O ATOM 986 OE2 GLU A 67 -12.274 0.628 -6.166 1.00 0.00 O ATOM 0 H GLU A 67 -8.409 3.146 -5.063 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.020 4.759 -7.412 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.856 3.068 -7.664 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.287 2.319 -7.444 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.964 1.309 -5.511 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -10.480 2.839 -4.831 1.00 0.00 H new ATOM 993 N ASP A 68 -10.762 5.131 -4.681 1.00 0.00 N ATOM 994 CA ASP A 68 -11.825 5.975 -4.067 1.00 0.00 C ATOM 995 C ASP A 68 -11.597 7.439 -4.445 1.00 0.00 C ATOM 996 O ASP A 68 -12.529 8.177 -4.698 1.00 0.00 O ATOM 997 CB ASP A 68 -11.775 5.827 -2.545 1.00 0.00 C ATOM 998 CG ASP A 68 -11.732 4.341 -2.179 1.00 0.00 C ATOM 999 OD1 ASP A 68 -12.794 3.750 -2.063 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -10.641 3.822 -2.022 1.00 0.00 O ATOM 0 H ASP A 68 -10.232 4.556 -4.026 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.801 5.654 -4.432 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -10.897 6.336 -2.148 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.648 6.299 -2.094 1.00 0.00 H new ATOM 1005 N GLY A 69 -10.364 7.867 -4.485 1.00 0.00 N ATOM 1006 CA GLY A 69 -10.078 9.285 -4.846 1.00 0.00 C ATOM 1007 C GLY A 69 -9.776 10.083 -3.577 1.00 0.00 C ATOM 1008 O GLY A 69 -9.841 11.296 -3.564 1.00 0.00 O ATOM 0 H GLY A 69 -9.543 7.296 -4.283 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -9.230 9.334 -5.529 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -10.932 9.718 -5.366 1.00 0.00 H new ATOM 1012 N SER A 70 -9.449 9.411 -2.508 1.00 0.00 N ATOM 1013 CA SER A 70 -9.142 10.130 -1.241 1.00 0.00 C ATOM 1014 C SER A 70 -7.701 10.640 -1.280 1.00 0.00 C ATOM 1015 O SER A 70 -7.422 11.769 -0.930 1.00 0.00 O ATOM 1016 CB SER A 70 -9.315 9.176 -0.058 1.00 0.00 C ATOM 1017 OG SER A 70 -10.325 8.224 -0.367 1.00 0.00 O ATOM 0 H SER A 70 -9.381 8.395 -2.458 1.00 0.00 H new ATOM 0 HA SER A 70 -9.822 10.974 -1.128 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.374 8.669 0.156 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.587 9.734 0.838 1.00 0.00 H new ATOM 0 HG SER A 70 -10.438 7.610 0.388 1.00 0.00 H new ATOM 1023 N GLY A 71 -6.781 9.817 -1.704 1.00 0.00 N ATOM 1024 CA GLY A 71 -5.359 10.257 -1.766 1.00 0.00 C ATOM 1025 C GLY A 71 -4.564 9.579 -0.648 1.00 0.00 C ATOM 1026 O GLY A 71 -3.540 10.069 -0.215 1.00 0.00 O ATOM 0 H GLY A 71 -6.953 8.859 -2.010 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.931 10.003 -2.736 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.298 11.341 -1.664 1.00 0.00 H new ATOM 1030 N THR A 72 -5.028 8.453 -0.177 1.00 0.00 N ATOM 1031 CA THR A 72 -4.298 7.745 0.911 1.00 0.00 C ATOM 1032 C THR A 72 -4.670 6.261 0.892 1.00 0.00 C ATOM 1033 O THR A 72 -5.808 5.899 0.670 1.00 0.00 O ATOM 1034 CB THR A 72 -4.683 8.350 2.261 1.00 0.00 C ATOM 1035 OG1 THR A 72 -4.379 7.425 3.297 1.00 0.00 O ATOM 1036 CG2 THR A 72 -6.181 8.657 2.272 1.00 0.00 C ATOM 0 H THR A 72 -5.880 7.994 -0.499 1.00 0.00 H new ATOM 0 HA THR A 72 -3.224 7.853 0.758 1.00 0.00 H new ATOM 0 HB THR A 72 -4.123 9.271 2.421 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.503 7.021 3.128 1.00 0.00 H new ATOM 0 HG21 THR A 72 -6.457 9.088 3.234 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.413 9.365 1.477 1.00 0.00 H new ATOM 0 HG23 THR A 72 -6.742 7.736 2.113 1.00 0.00 H new ATOM 1044 N ILE A 73 -3.718 5.399 1.118 1.00 0.00 N ATOM 1045 CA ILE A 73 -4.013 3.939 1.107 1.00 0.00 C ATOM 1046 C ILE A 73 -4.251 3.448 2.537 1.00 0.00 C ATOM 1047 O ILE A 73 -3.843 4.072 3.495 1.00 0.00 O ATOM 1048 CB ILE A 73 -2.826 3.190 0.503 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -2.713 3.540 -0.982 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -3.037 1.683 0.660 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -1.265 3.355 -1.444 1.00 0.00 C ATOM 0 H ILE A 73 -2.747 5.643 1.310 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.907 3.754 0.511 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.910 3.480 1.018 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.376 2.904 -1.568 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.030 4.570 -1.149 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.190 1.150 0.229 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.121 1.436 1.718 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.951 1.388 0.145 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.186 3.605 -2.502 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.612 4.010 -0.867 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.964 2.318 -1.292 1.00 0.00 H new ATOM 1063 N ASP A 74 -4.908 2.330 2.685 1.00 0.00 N ATOM 1064 CA ASP A 74 -5.171 1.793 4.051 1.00 0.00 C ATOM 1065 C ASP A 74 -4.323 0.540 4.273 1.00 0.00 C ATOM 1066 O ASP A 74 -3.369 0.294 3.562 1.00 0.00 O ATOM 1067 CB ASP A 74 -6.654 1.435 4.183 1.00 0.00 C ATOM 1068 CG ASP A 74 -7.503 2.682 3.931 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -7.302 3.314 2.906 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -8.340 2.983 4.766 1.00 0.00 O ATOM 0 H ASP A 74 -5.274 1.765 1.919 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.913 2.546 4.795 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.915 0.654 3.470 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.856 1.039 5.178 1.00 0.00 H new ATOM 1075 N PHE A 75 -4.658 -0.253 5.254 1.00 0.00 N ATOM 1076 CA PHE A 75 -3.861 -1.484 5.513 1.00 0.00 C ATOM 1077 C PHE A 75 -4.348 -2.612 4.592 1.00 0.00 C ATOM 1078 O PHE A 75 -3.633 -3.555 4.320 1.00 0.00 O ATOM 1079 CB PHE A 75 -3.995 -1.875 7.001 1.00 0.00 C ATOM 1080 CG PHE A 75 -4.986 -3.006 7.188 1.00 0.00 C ATOM 1081 CD1 PHE A 75 -6.287 -2.891 6.685 1.00 0.00 C ATOM 1082 CD2 PHE A 75 -4.596 -4.168 7.867 1.00 0.00 C ATOM 1083 CE1 PHE A 75 -7.199 -3.939 6.862 1.00 0.00 C ATOM 1084 CE2 PHE A 75 -5.507 -5.214 8.043 1.00 0.00 C ATOM 1085 CZ PHE A 75 -6.809 -5.100 7.540 1.00 0.00 C ATOM 0 H PHE A 75 -5.446 -0.102 5.884 1.00 0.00 H new ATOM 0 HA PHE A 75 -2.807 -1.303 5.300 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.021 -2.174 7.389 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -4.316 -1.008 7.579 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.587 -1.995 6.161 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.592 -4.256 8.254 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -8.204 -3.851 6.475 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -5.207 -6.110 8.567 1.00 0.00 H new ATOM 0 HZ PHE A 75 -7.513 -5.908 7.675 1.00 0.00 H new ATOM 1095 N GLU A 76 -5.557 -2.518 4.110 1.00 0.00 N ATOM 1096 CA GLU A 76 -6.082 -3.580 3.207 1.00 0.00 C ATOM 1097 C GLU A 76 -5.753 -3.219 1.757 1.00 0.00 C ATOM 1098 O GLU A 76 -5.409 -4.069 0.958 1.00 0.00 O ATOM 1099 CB GLU A 76 -7.601 -3.693 3.375 1.00 0.00 C ATOM 1100 CG GLU A 76 -8.283 -2.491 2.718 1.00 0.00 C ATOM 1101 CD GLU A 76 -9.802 -2.651 2.813 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -10.363 -3.314 1.955 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -10.378 -2.109 3.741 1.00 0.00 O ATOM 0 H GLU A 76 -6.203 -1.752 4.302 1.00 0.00 H new ATOM 0 HA GLU A 76 -5.620 -4.534 3.460 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -7.959 -4.618 2.923 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.857 -3.735 4.434 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.972 -1.569 3.210 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.979 -2.413 1.674 1.00 0.00 H new ATOM 1110 N GLU A 77 -5.856 -1.965 1.411 1.00 0.00 N ATOM 1111 CA GLU A 77 -5.550 -1.547 0.013 1.00 0.00 C ATOM 1112 C GLU A 77 -4.037 -1.596 -0.216 1.00 0.00 C ATOM 1113 O GLU A 77 -3.573 -1.863 -1.307 1.00 0.00 O ATOM 1114 CB GLU A 77 -6.056 -0.120 -0.216 1.00 0.00 C ATOM 1115 CG GLU A 77 -7.586 -0.112 -0.188 1.00 0.00 C ATOM 1116 CD GLU A 77 -8.101 1.203 -0.777 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -7.459 1.719 -1.676 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -9.131 1.670 -0.319 1.00 0.00 O ATOM 0 H GLU A 77 -6.139 -1.211 2.037 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.044 -2.224 -0.684 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.664 0.545 0.554 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -5.697 0.255 -1.174 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.975 -0.955 -0.759 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.942 -0.228 0.836 1.00 0.00 H new ATOM 1125 N PHE A 78 -3.264 -1.344 0.806 1.00 0.00 N ATOM 1126 CA PHE A 78 -1.781 -1.382 0.646 1.00 0.00 C ATOM 1127 C PHE A 78 -1.327 -2.832 0.452 1.00 0.00 C ATOM 1128 O PHE A 78 -0.167 -3.104 0.211 1.00 0.00 O ATOM 1129 CB PHE A 78 -1.120 -0.798 1.900 1.00 0.00 C ATOM 1130 CG PHE A 78 0.359 -0.565 1.662 1.00 0.00 C ATOM 1131 CD1 PHE A 78 0.927 -0.799 0.401 1.00 0.00 C ATOM 1132 CD2 PHE A 78 1.166 -0.112 2.714 1.00 0.00 C ATOM 1133 CE1 PHE A 78 2.295 -0.581 0.196 1.00 0.00 C ATOM 1134 CE2 PHE A 78 2.533 0.106 2.508 1.00 0.00 C ATOM 1135 CZ PHE A 78 3.097 -0.129 1.249 1.00 0.00 C ATOM 0 H PHE A 78 -3.594 -1.114 1.743 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.491 -0.793 -0.224 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.603 0.141 2.169 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.256 -1.479 2.740 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.309 -1.148 -0.413 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.732 0.069 3.686 1.00 0.00 H new ATOM 0 HE1 PHE A 78 2.731 -0.762 -0.775 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.153 0.456 3.321 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.152 0.039 1.090 1.00 0.00 H new ATOM 1145 N LEU A 79 -2.231 -3.768 0.556 1.00 0.00 N ATOM 1146 CA LEU A 79 -1.850 -5.198 0.377 1.00 0.00 C ATOM 1147 C LEU A 79 -1.729 -5.513 -1.115 1.00 0.00 C ATOM 1148 O LEU A 79 -0.955 -6.360 -1.518 1.00 0.00 O ATOM 1149 CB LEU A 79 -2.920 -6.093 1.003 1.00 0.00 C ATOM 1150 CG LEU A 79 -3.084 -5.733 2.481 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -4.024 -6.735 3.150 1.00 0.00 C ATOM 1152 CD2 LEU A 79 -1.717 -5.778 3.170 1.00 0.00 C ATOM 0 H LEU A 79 -3.217 -3.604 0.757 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.892 -5.382 0.864 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.868 -5.966 0.479 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -2.638 -7.141 0.902 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.503 -4.730 2.566 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -4.140 -6.478 4.203 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.997 -6.705 2.659 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.606 -7.738 3.066 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.832 -5.522 4.223 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.299 -6.781 3.084 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.046 -5.063 2.694 1.00 0.00 H new ATOM 1164 N VAL A 80 -2.484 -4.841 -1.941 1.00 0.00 N ATOM 1165 CA VAL A 80 -2.402 -5.108 -3.405 1.00 0.00 C ATOM 1166 C VAL A 80 -1.011 -4.723 -3.908 1.00 0.00 C ATOM 1167 O VAL A 80 -0.445 -5.377 -4.761 1.00 0.00 O ATOM 1168 CB VAL A 80 -3.457 -4.276 -4.138 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -3.203 -4.346 -5.645 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -4.849 -4.831 -3.830 1.00 0.00 C ATOM 0 H VAL A 80 -3.152 -4.121 -1.666 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.582 -6.166 -3.594 1.00 0.00 H new ATOM 0 HB VAL A 80 -3.398 -3.239 -3.806 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.954 -3.754 -6.168 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -2.211 -3.951 -5.866 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.263 -5.383 -5.976 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.601 -4.239 -4.352 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.909 -5.867 -4.162 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.030 -4.783 -2.756 1.00 0.00 H new ATOM 1180 N MET A 81 -0.456 -3.667 -3.381 1.00 0.00 N ATOM 1181 CA MET A 81 0.900 -3.238 -3.819 1.00 0.00 C ATOM 1182 C MET A 81 1.946 -4.172 -3.210 1.00 0.00 C ATOM 1183 O MET A 81 2.777 -4.728 -3.902 1.00 0.00 O ATOM 1184 CB MET A 81 1.155 -1.807 -3.340 1.00 0.00 C ATOM 1185 CG MET A 81 1.790 -0.992 -4.469 1.00 0.00 C ATOM 1186 SD MET A 81 1.260 0.736 -4.340 1.00 0.00 S ATOM 1187 CE MET A 81 1.291 0.860 -2.533 1.00 0.00 C ATOM 0 H MET A 81 -0.885 -3.082 -2.664 1.00 0.00 H new ATOM 0 HA MET A 81 0.965 -3.277 -4.906 1.00 0.00 H new ATOM 0 HB2 MET A 81 0.218 -1.345 -3.027 1.00 0.00 H new ATOM 0 HB3 MET A 81 1.812 -1.816 -2.470 1.00 0.00 H new ATOM 0 HG2 MET A 81 2.877 -1.055 -4.411 1.00 0.00 H new ATOM 0 HG3 MET A 81 1.498 -1.402 -5.436 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.310 1.910 -2.241 1.00 0.00 H new ATOM 0 HE2 MET A 81 0.401 0.384 -2.120 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.181 0.361 -2.149 1.00 0.00 H new ATOM 1197 N MET A 82 1.910 -4.353 -1.918 1.00 0.00 N ATOM 1198 CA MET A 82 2.897 -5.252 -1.261 1.00 0.00 C ATOM 1199 C MET A 82 2.882 -6.615 -1.957 1.00 0.00 C ATOM 1200 O MET A 82 3.886 -7.294 -2.037 1.00 0.00 O ATOM 1201 CB MET A 82 2.527 -5.422 0.213 1.00 0.00 C ATOM 1202 CG MET A 82 3.732 -5.071 1.086 1.00 0.00 C ATOM 1203 SD MET A 82 4.422 -6.584 1.800 1.00 0.00 S ATOM 1204 CE MET A 82 5.596 -5.788 2.924 1.00 0.00 C ATOM 0 H MET A 82 1.237 -3.915 -1.289 1.00 0.00 H new ATOM 0 HA MET A 82 3.894 -4.819 -1.335 1.00 0.00 H new ATOM 0 HB2 MET A 82 1.684 -4.779 0.464 1.00 0.00 H new ATOM 0 HB3 MET A 82 2.213 -6.448 0.404 1.00 0.00 H new ATOM 0 HG2 MET A 82 4.489 -4.559 0.491 1.00 0.00 H new ATOM 0 HG3 MET A 82 3.433 -4.386 1.879 1.00 0.00 H new ATOM 0 HE1 MET A 82 6.143 -6.551 3.478 1.00 0.00 H new ATOM 0 HE2 MET A 82 6.298 -5.184 2.349 1.00 0.00 H new ATOM 0 HE3 MET A 82 5.055 -5.150 3.623 1.00 0.00 H new ATOM 1214 N VAL A 83 1.749 -7.020 -2.464 1.00 0.00 N ATOM 1215 CA VAL A 83 1.669 -8.337 -3.157 1.00 0.00 C ATOM 1216 C VAL A 83 2.199 -8.188 -4.584 1.00 0.00 C ATOM 1217 O VAL A 83 2.848 -9.069 -5.112 1.00 0.00 O ATOM 1218 CB VAL A 83 0.215 -8.807 -3.198 1.00 0.00 C ATOM 1219 CG1 VAL A 83 0.106 -10.053 -4.079 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -0.250 -9.145 -1.780 1.00 0.00 C ATOM 0 H VAL A 83 0.875 -6.495 -2.428 1.00 0.00 H new ATOM 0 HA VAL A 83 2.269 -9.070 -2.618 1.00 0.00 H new ATOM 0 HB VAL A 83 -0.412 -8.015 -3.609 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.931 -10.388 -4.108 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.439 -9.815 -5.089 1.00 0.00 H new ATOM 0 HG13 VAL A 83 0.732 -10.845 -3.668 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.287 -9.480 -1.807 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.377 -9.937 -1.371 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.172 -8.259 -1.150 1.00 0.00 H new ATOM 1230 N ARG A 84 1.931 -7.075 -5.210 1.00 0.00 N ATOM 1231 CA ARG A 84 2.423 -6.864 -6.601 1.00 0.00 C ATOM 1232 C ARG A 84 3.879 -7.318 -6.693 1.00 0.00 C ATOM 1233 O ARG A 84 4.241 -8.119 -7.533 1.00 0.00 O ATOM 1234 CB ARG A 84 2.332 -5.377 -6.951 1.00 0.00 C ATOM 1235 CG ARG A 84 1.917 -5.220 -8.414 1.00 0.00 C ATOM 1236 CD ARG A 84 0.535 -5.837 -8.623 1.00 0.00 C ATOM 1237 NE ARG A 84 0.575 -6.756 -9.796 1.00 0.00 N ATOM 1238 CZ ARG A 84 -0.217 -7.791 -9.839 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -0.213 -8.656 -8.862 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -1.011 -7.962 -10.860 1.00 0.00 N ATOM 0 H ARG A 84 1.392 -6.302 -4.818 1.00 0.00 H new ATOM 0 HA ARG A 84 1.814 -7.440 -7.298 1.00 0.00 H new ATOM 0 HB2 ARG A 84 1.608 -4.884 -6.302 1.00 0.00 H new ATOM 0 HB3 ARG A 84 3.294 -4.893 -6.781 1.00 0.00 H new ATOM 0 HG2 ARG A 84 1.900 -4.165 -8.687 1.00 0.00 H new ATOM 0 HG3 ARG A 84 2.645 -5.706 -9.063 1.00 0.00 H new ATOM 0 HD2 ARG A 84 0.229 -6.382 -7.730 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -0.204 -5.053 -8.786 1.00 0.00 H new ATOM 0 HE ARG A 84 1.221 -6.575 -10.564 1.00 0.00 H new ATOM 0 HH11 ARG A 84 0.409 -8.522 -8.065 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -0.832 -9.466 -8.895 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -1.012 -7.286 -11.624 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -1.631 -8.771 -10.894 1.00 0.00 H new ATOM 1254 N GLN A 85 4.716 -6.815 -5.830 1.00 0.00 N ATOM 1255 CA GLN A 85 6.149 -7.216 -5.858 1.00 0.00 C ATOM 1256 C GLN A 85 6.327 -8.509 -5.061 1.00 0.00 C ATOM 1257 O GLN A 85 6.673 -8.488 -3.897 1.00 0.00 O ATOM 1258 CB GLN A 85 6.997 -6.108 -5.229 1.00 0.00 C ATOM 1259 CG GLN A 85 8.373 -6.072 -5.897 1.00 0.00 C ATOM 1260 CD GLN A 85 9.405 -5.538 -4.902 1.00 0.00 C ATOM 1261 OE1 GLN A 85 9.210 -5.615 -3.706 1.00 0.00 O ATOM 1262 NE2 GLN A 85 10.504 -4.995 -5.351 1.00 0.00 N ATOM 0 H GLN A 85 4.469 -6.142 -5.105 1.00 0.00 H new ATOM 0 HA GLN A 85 6.466 -7.376 -6.889 1.00 0.00 H new ATOM 0 HB2 GLN A 85 6.500 -5.145 -5.346 1.00 0.00 H new ATOM 0 HB3 GLN A 85 7.106 -6.283 -4.159 1.00 0.00 H new ATOM 0 HG2 GLN A 85 8.655 -7.071 -6.229 1.00 0.00 H new ATOM 0 HG3 GLN A 85 8.343 -5.438 -6.783 1.00 0.00 H new ATOM 0 HE21 GLN A 85 10.667 -4.931 -6.356 1.00 0.00 H new ATOM 0 HE22 GLN A 85 11.199 -4.635 -4.697 1.00 0.00 H new