USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 513 hydrogens (6 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 NoAdj-H: A 51 TPO H2 : A 51 TPO N : A 50 LEU C :(H bumps) USER MOD Set 1.1: A 16 HIS : no HD1:sc= -0.868 X(o=-0.87,f=-0.63) USER MOD Set 1.2: A 17 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 14 CYS SG : rot 75:sc= 0.735! USER MOD Set 2.2: A 23 CYS SG : rot 58:sc= 1.5 USER MOD Single : A 1 GLY N :NH3+ 152:sc= 0.771 (180deg=0.377) USER MOD Single : A 2 SER OG : rot -151:sc= 0.552 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 139:sc= -0.322 (180deg=-0.796) USER MOD Single : A 7 THR OG1 : rot 156:sc= 0.196 USER MOD Single : A 8 THR OG1 : rot 80:sc= 0.817 USER MOD Single : A 9 MET CE :methyl -159:sc= -0.0741 (180deg=-1.02) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot 77:sc= -1.13 USER MOD Single : A 27 SER OG : rot 150:sc= -0.422 USER MOD Single : A 30 GLN : amide:sc= -1.32 K(o=-1.3,f=-4.4!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -3.08 K(o=-3.1,f=-3.7!) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 30:sc=-0.00461 USER MOD Single : A 64 MET CE :methyl 163:sc= -0.0481 (180deg=-0.45) USER MOD Single : A 70 THR OG1 : rot 83:sc= 0.829 USER MOD Single : A 71 GLN : amide:sc= -0.778 K(o=-0.78,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.900 10.366 3.992 1.00100.00 N ATOM 2 CA GLY A 1 -20.643 9.648 3.699 1.00100.00 C ATOM 3 C GLY A 1 -19.752 10.549 2.915 1.00100.00 C ATOM 4 O GLY A 1 -19.912 10.662 1.698 1.00100.00 O ATOM 0 H1 GLY A 1 -22.676 9.681 4.092 1.00100.00 H new ATOM 0 H2 GLY A 1 -21.795 10.903 4.877 1.00100.00 H new ATOM 0 H3 GLY A 1 -22.115 11.021 3.213 1.00100.00 H new ATOM 0 HA2 GLY A 1 -20.155 9.346 4.626 1.00100.00 H new ATOM 0 HA3 GLY A 1 -20.850 8.738 3.137 1.00100.00 H new ATOM 10 N SER A 2 -18.642 10.974 3.568 1.00100.00 N ATOM 11 CA SER A 2 -17.642 11.863 3.021 1.00100.00 C ATOM 12 C SER A 2 -18.262 13.143 2.502 1.00100.00 C ATOM 13 O SER A 2 -18.043 13.537 1.356 1.00100.00 O ATOM 14 CB SER A 2 -16.734 11.180 1.956 1.00100.00 C ATOM 15 OG SER A 2 -15.641 12.017 1.649 1.00100.00 O ATOM 0 H SER A 2 -18.431 10.684 4.523 1.00100.00 H new ATOM 0 HA SER A 2 -16.982 12.128 3.847 1.00100.00 H new ATOM 0 HB2 SER A 2 -16.375 10.222 2.332 1.00100.00 H new ATOM 0 HB3 SER A 2 -17.309 10.973 1.054 1.00100.00 H new ATOM 0 HG SER A 2 -15.346 11.846 0.730 1.00100.00 H new ATOM 21 N THR A 3 -19.081 13.808 3.369 1.00100.00 N ATOM 22 CA THR A 3 -19.819 15.040 3.132 1.00100.00 C ATOM 23 C THR A 3 -21.001 14.776 2.231 1.00100.00 C ATOM 24 O THR A 3 -22.137 15.071 2.607 1.00100.00 O ATOM 25 CB THR A 3 -18.967 16.203 2.626 1.00100.00 C ATOM 26 OG1 THR A 3 -17.914 16.438 3.534 1.00100.00 O ATOM 27 CG2 THR A 3 -19.812 17.470 2.497 1.00100.00 C ATOM 0 H THR A 3 -19.239 13.454 4.312 1.00100.00 H new ATOM 0 HA THR A 3 -20.178 15.371 4.107 1.00100.00 H new ATOM 0 HB THR A 3 -18.567 15.945 1.646 1.00100.00 H new ATOM 0 HG1 THR A 3 -17.364 17.182 3.212 1.00100.00 H new ATOM 0 HG21 THR A 3 -19.189 18.288 2.135 1.00100.00 H new ATOM 0 HG22 THR A 3 -20.625 17.295 1.793 1.00100.00 H new ATOM 0 HG23 THR A 3 -20.226 17.732 3.471 1.00100.00 H new ATOM 35 N ALA A 4 -20.762 14.173 1.046 1.00100.00 N ATOM 36 CA ALA A 4 -21.769 13.828 0.080 1.00100.00 C ATOM 37 C ALA A 4 -22.566 12.666 0.596 1.00100.00 C ATOM 38 O ALA A 4 -22.222 12.040 1.599 1.00100.00 O ATOM 39 CB ALA A 4 -21.182 13.419 -1.284 1.00100.00 C ATOM 0 H ALA A 4 -19.822 13.914 0.747 1.00100.00 H new ATOM 0 HA ALA A 4 -22.381 14.718 -0.065 1.00100.00 H new ATOM 0 HB1 ALA A 4 -21.993 13.171 -1.969 1.00100.00 H new ATOM 0 HB2 ALA A 4 -20.602 14.246 -1.693 1.00100.00 H new ATOM 0 HB3 ALA A 4 -20.536 12.551 -1.156 1.00100.00 H new ATOM 45 N MET A 5 -23.708 12.382 -0.061 1.00100.00 N ATOM 46 CA MET A 5 -24.557 11.295 0.334 1.00100.00 C ATOM 47 C MET A 5 -24.008 10.053 -0.318 1.00100.00 C ATOM 48 O MET A 5 -24.245 9.860 -1.511 1.00100.00 O ATOM 49 CB MET A 5 -26.019 11.484 -0.128 1.00100.00 C ATOM 50 CG MET A 5 -26.686 12.667 0.579 1.00100.00 C ATOM 51 SD MET A 5 -25.974 14.299 0.238 1.00100.00 S ATOM 52 CE MET A 5 -26.148 14.339 -1.564 1.00100.00 C ATOM 0 H MET A 5 -24.045 12.907 -0.868 1.00100.00 H new ATOM 0 HA MET A 5 -24.568 11.235 1.422 1.00100.00 H new ATOM 0 HB2 MET A 5 -26.043 11.644 -1.206 1.00100.00 H new ATOM 0 HB3 MET A 5 -26.585 10.574 0.072 1.00100.00 H new ATOM 0 HG2 MET A 5 -27.739 12.686 0.298 1.00100.00 H new ATOM 0 HG3 MET A 5 -26.646 12.492 1.654 1.00100.00 H new ATOM 0 HE1 MET A 5 -26.471 15.332 -1.876 1.00100.00 H new ATOM 0 HE2 MET A 5 -25.189 14.107 -2.027 1.00100.00 H new ATOM 0 HE3 MET A 5 -26.889 13.602 -1.874 1.00100.00 H new ATOM 62 N ALA A 6 -22.878 9.569 0.264 1.00100.00 N ATOM 63 CA ALA A 6 -22.127 8.391 -0.112 1.00100.00 C ATOM 64 C ALA A 6 -21.755 8.340 -1.578 1.00100.00 C ATOM 65 O ALA A 6 -21.805 7.291 -2.225 1.00100.00 O ATOM 66 CB ALA A 6 -22.820 7.084 0.338 1.00100.00 C ATOM 0 H ALA A 6 -22.457 10.043 1.063 1.00100.00 H new ATOM 0 HA ALA A 6 -21.187 8.475 0.433 1.00100.00 H new ATOM 0 HB1 ALA A 6 -22.217 6.229 0.032 1.00100.00 H new ATOM 0 HB2 ALA A 6 -22.927 7.084 1.423 1.00100.00 H new ATOM 0 HB3 ALA A 6 -23.805 7.017 -0.123 1.00100.00 H new ATOM 72 N THR A 7 -21.374 9.525 -2.117 1.00100.00 N ATOM 73 CA THR A 7 -20.962 9.780 -3.480 1.00100.00 C ATOM 74 C THR A 7 -21.922 9.320 -4.560 1.00100.00 C ATOM 75 O THR A 7 -21.520 8.889 -5.642 1.00100.00 O ATOM 76 CB THR A 7 -19.529 9.376 -3.773 1.00100.00 C ATOM 77 OG1 THR A 7 -19.336 7.996 -3.551 1.00100.00 O ATOM 78 CG2 THR A 7 -18.644 10.195 -2.833 1.00100.00 C ATOM 0 H THR A 7 -21.352 10.375 -1.553 1.00100.00 H new ATOM 0 HA THR A 7 -21.001 10.868 -3.534 1.00100.00 H new ATOM 0 HB THR A 7 -19.282 9.567 -4.817 1.00100.00 H new ATOM 0 HG1 THR A 7 -18.579 7.681 -4.088 1.00100.00 H new ATOM 0 HG21 THR A 7 -17.598 9.941 -3.004 1.00100.00 H new ATOM 0 HG22 THR A 7 -18.795 11.257 -3.024 1.00100.00 H new ATOM 0 HG23 THR A 7 -18.907 9.972 -1.799 1.00100.00 H new ATOM 86 N THR A 8 -23.236 9.448 -4.280 1.00100.00 N ATOM 87 CA THR A 8 -24.312 9.087 -5.171 1.00100.00 C ATOM 88 C THR A 8 -24.348 9.967 -6.404 1.00100.00 C ATOM 89 O THR A 8 -24.545 9.464 -7.512 1.00100.00 O ATOM 90 CB THR A 8 -25.659 9.114 -4.463 1.00100.00 C ATOM 91 OG1 THR A 8 -25.631 8.211 -3.380 1.00100.00 O ATOM 92 CG2 THR A 8 -26.783 8.708 -5.416 1.00100.00 C ATOM 0 H THR A 8 -23.568 9.821 -3.391 1.00100.00 H new ATOM 0 HA THR A 8 -24.116 8.065 -5.495 1.00100.00 H new ATOM 0 HB THR A 8 -25.845 10.129 -4.111 1.00100.00 H new ATOM 0 HG1 THR A 8 -25.172 8.626 -2.620 1.00100.00 H new ATOM 0 HG21 THR A 8 -27.736 8.735 -4.887 1.00100.00 H new ATOM 0 HG22 THR A 8 -26.815 9.401 -6.257 1.00100.00 H new ATOM 0 HG23 THR A 8 -26.601 7.698 -5.784 1.00100.00 H new ATOM 100 N MET A 9 -24.080 11.285 -6.230 1.00100.00 N ATOM 101 CA MET A 9 -24.152 12.284 -7.272 1.00100.00 C ATOM 102 C MET A 9 -23.247 12.017 -8.453 1.00100.00 C ATOM 103 O MET A 9 -23.736 12.045 -9.583 1.00100.00 O ATOM 104 CB MET A 9 -23.872 13.683 -6.676 1.00100.00 C ATOM 105 CG MET A 9 -24.130 14.799 -7.686 1.00100.00 C ATOM 106 SD MET A 9 -25.872 15.072 -8.096 1.00100.00 S ATOM 107 CE MET A 9 -25.927 14.273 -9.719 1.00100.00 C ATOM 0 H MET A 9 -23.802 11.671 -5.328 1.00100.00 H new ATOM 0 HA MET A 9 -25.166 12.239 -7.669 1.00100.00 H new ATOM 0 HB2 MET A 9 -24.501 13.836 -5.799 1.00100.00 H new ATOM 0 HB3 MET A 9 -22.837 13.732 -6.338 1.00100.00 H new ATOM 0 HG2 MET A 9 -23.715 15.727 -7.293 1.00100.00 H new ATOM 0 HG3 MET A 9 -23.588 14.571 -8.604 1.00100.00 H new ATOM 0 HE1 MET A 9 -26.781 14.650 -10.281 1.00100.00 H new ATOM 0 HE2 MET A 9 -25.009 14.492 -10.264 1.00100.00 H new ATOM 0 HE3 MET A 9 -26.024 13.195 -9.591 1.00100.00 H new ATOM 117 N GLU A 10 -21.970 11.621 -8.217 1.00100.00 N ATOM 118 CA GLU A 10 -21.003 11.289 -9.249 1.00100.00 C ATOM 119 C GLU A 10 -20.759 12.359 -10.302 1.00100.00 C ATOM 120 O GLU A 10 -20.541 12.043 -11.477 1.00100.00 O ATOM 121 CB GLU A 10 -21.349 9.952 -9.976 1.00100.00 C ATOM 122 CG GLU A 10 -21.403 8.805 -8.969 1.00100.00 C ATOM 123 CD GLU A 10 -21.661 7.473 -9.663 1.00100.00 C ATOM 124 OE1 GLU A 10 -22.529 7.455 -10.561 1.00100.00 O ATOM 125 OE2 GLU A 10 -20.984 6.495 -9.277 1.00100.00 O ATOM 0 H GLU A 10 -21.593 11.527 -7.274 1.00100.00 H new ATOM 0 HA GLU A 10 -20.079 11.193 -8.680 1.00100.00 H new ATOM 0 HB2 GLU A 10 -22.308 10.044 -10.486 1.00100.00 H new ATOM 0 HB3 GLU A 10 -20.601 9.740 -10.740 1.00100.00 H new ATOM 0 HG2 GLU A 10 -20.463 8.756 -8.420 1.00100.00 H new ATOM 0 HG3 GLU A 10 -22.189 8.996 -8.239 1.00100.00 H new ATOM 132 N GLN A 11 -20.750 13.658 -9.915 1.00100.00 N ATOM 133 CA GLN A 11 -20.511 14.695 -10.896 1.00100.00 C ATOM 134 C GLN A 11 -19.158 15.346 -10.712 1.00100.00 C ATOM 135 O GLN A 11 -18.915 16.438 -11.231 1.00100.00 O ATOM 136 CB GLN A 11 -21.617 15.782 -11.018 1.00100.00 C ATOM 137 CG GLN A 11 -21.793 16.574 -9.730 1.00100.00 C ATOM 138 CD GLN A 11 -22.905 17.610 -9.850 1.00100.00 C ATOM 139 OE1 GLN A 11 -23.407 17.874 -10.941 1.00100.00 O ATOM 140 NE2 GLN A 11 -23.288 18.201 -8.715 1.00100.00 N ATOM 0 H GLN A 11 -20.902 13.985 -8.961 1.00100.00 H new ATOM 0 HA GLN A 11 -20.535 14.154 -11.842 1.00100.00 H new ATOM 0 HB2 GLN A 11 -21.365 16.464 -11.830 1.00100.00 H new ATOM 0 HB3 GLN A 11 -22.562 15.308 -11.282 1.00100.00 H new ATOM 0 HG2 GLN A 11 -22.019 15.891 -8.911 1.00100.00 H new ATOM 0 HG3 GLN A 11 -20.857 17.073 -9.479 1.00100.00 H new ATOM 0 HE21 GLN A 11 -22.842 17.949 -7.833 1.00100.00 H new ATOM 0 HE22 GLN A 11 -24.027 18.904 -8.730 1.00100.00 H new ATOM 149 N GLU A 12 -18.225 14.650 -10.014 1.00100.00 N ATOM 150 CA GLU A 12 -16.887 15.107 -9.715 1.00100.00 C ATOM 151 C GLU A 12 -16.830 16.429 -8.988 1.00100.00 C ATOM 152 O GLU A 12 -16.245 17.408 -9.459 1.00100.00 O ATOM 153 CB GLU A 12 -15.919 15.082 -10.928 1.00100.00 C ATOM 154 CG GLU A 12 -15.756 13.657 -11.456 1.00100.00 C ATOM 155 CD GLU A 12 -14.748 13.589 -12.598 1.00100.00 C ATOM 156 OE1 GLU A 12 -13.974 14.560 -12.746 1.00100.00 O ATOM 157 OE2 GLU A 12 -14.768 12.558 -13.304 1.00100.00 O ATOM 0 H GLU A 12 -18.414 13.720 -9.639 1.00100.00 H new ATOM 0 HA GLU A 12 -16.522 14.356 -9.014 1.00100.00 H new ATOM 0 HB2 GLU A 12 -16.301 15.727 -11.719 1.00100.00 H new ATOM 0 HB3 GLU A 12 -14.948 15.480 -10.634 1.00100.00 H new ATOM 0 HG2 GLU A 12 -15.432 13.004 -10.646 1.00100.00 H new ATOM 0 HG3 GLU A 12 -16.721 13.284 -11.800 1.00100.00 H new ATOM 164 N ILE A 13 -17.501 16.475 -7.812 1.00100.00 N ATOM 165 CA ILE A 13 -17.519 17.668 -7.001 1.00100.00 C ATOM 166 C ILE A 13 -16.637 17.510 -5.792 1.00100.00 C ATOM 167 O ILE A 13 -16.725 16.537 -5.040 1.00100.00 O ATOM 168 CB ILE A 13 -18.894 18.169 -6.571 1.00100.00 C ATOM 169 CG1 ILE A 13 -19.737 17.145 -5.795 1.00100.00 C ATOM 170 CG2 ILE A 13 -19.606 18.675 -7.820 1.00100.00 C ATOM 171 CD1 ILE A 13 -20.047 15.854 -6.553 1.00100.00 C ATOM 0 H ILE A 13 -18.028 15.692 -7.424 1.00100.00 H new ATOM 0 HA ILE A 13 -17.132 18.438 -7.669 1.00100.00 H new ATOM 0 HB ILE A 13 -18.755 18.973 -5.848 1.00100.00 H new ATOM 0 HG12 ILE A 13 -19.214 16.890 -4.873 1.00100.00 H new ATOM 0 HG13 ILE A 13 -20.678 17.615 -5.508 1.00100.00 H new ATOM 0 HG21 ILE A 13 -20.596 19.043 -7.551 1.00100.00 H new ATOM 0 HG22 ILE A 13 -19.028 19.484 -8.266 1.00100.00 H new ATOM 0 HG23 ILE A 13 -19.704 17.861 -8.538 1.00100.00 H new ATOM 0 HD11 ILE A 13 -20.646 15.197 -5.922 1.00100.00 H new ATOM 0 HD12 ILE A 13 -20.602 16.090 -7.461 1.00100.00 H new ATOM 0 HD13 ILE A 13 -19.115 15.354 -6.817 1.00100.00 H new ATOM 183 N CYS A 14 -15.696 18.467 -5.656 1.00100.00 N ATOM 184 CA CYS A 14 -14.745 18.543 -4.576 1.00100.00 C ATOM 185 C CYS A 14 -14.167 19.930 -4.581 1.00100.00 C ATOM 186 O CYS A 14 -14.355 20.709 -5.519 1.00100.00 O ATOM 187 CB CYS A 14 -13.556 17.560 -4.692 1.00100.00 C ATOM 188 SG CYS A 14 -12.512 17.532 -3.212 1.00100.00 S ATOM 0 H CYS A 14 -15.591 19.226 -6.330 1.00100.00 H new ATOM 0 HA CYS A 14 -15.287 18.285 -3.666 1.00100.00 H new ATOM 0 HB2 CYS A 14 -13.939 16.557 -4.879 1.00100.00 H new ATOM 0 HB3 CYS A 14 -12.948 17.835 -5.554 1.00100.00 H new ATOM 0 HG CYS A 14 -13.117 16.875 -2.267 1.00100.00 H new ATOM 193 N ALA A 15 -13.424 20.253 -3.500 1.00100.00 N ATOM 194 CA ALA A 15 -12.750 21.502 -3.292 1.00100.00 C ATOM 195 C ALA A 15 -11.720 21.712 -4.376 1.00100.00 C ATOM 196 O ALA A 15 -11.557 22.836 -4.849 1.00100.00 O ATOM 197 CB ALA A 15 -12.045 21.540 -1.930 1.00100.00 C ATOM 0 H ALA A 15 -13.287 19.602 -2.727 1.00100.00 H new ATOM 0 HA ALA A 15 -13.501 22.292 -3.320 1.00100.00 H new ATOM 0 HB1 ALA A 15 -11.545 22.500 -1.806 1.00100.00 H new ATOM 0 HB2 ALA A 15 -12.780 21.408 -1.136 1.00100.00 H new ATOM 0 HB3 ALA A 15 -11.308 20.738 -1.879 1.00100.00 H new ATOM 203 N HIS A 16 -11.004 20.630 -4.788 1.00100.00 N ATOM 204 CA HIS A 16 -10.016 20.743 -5.823 1.00100.00 C ATOM 205 C HIS A 16 -10.686 20.443 -7.143 1.00100.00 C ATOM 206 O HIS A 16 -10.945 21.383 -7.895 1.00100.00 O ATOM 207 CB HIS A 16 -8.823 19.791 -5.584 1.00100.00 C ATOM 208 CG HIS A 16 -7.656 19.994 -6.507 1.00100.00 C ATOM 209 ND1 HIS A 16 -6.713 20.993 -6.417 1.00100.00 N ATOM 210 CD2 HIS A 16 -7.298 19.171 -7.538 1.00100.00 C ATOM 211 CE1 HIS A 16 -5.807 20.768 -7.386 1.00100.00 C ATOM 212 NE2 HIS A 16 -6.119 19.671 -8.096 1.00100.00 N ATOM 0 H HIS A 16 -11.113 19.691 -4.405 1.00100.00 H new ATOM 0 HA HIS A 16 -9.609 21.754 -5.825 1.00100.00 H new ATOM 0 HB2 HIS A 16 -8.480 19.913 -4.557 1.00100.00 H new ATOM 0 HB3 HIS A 16 -9.172 18.763 -5.684 1.00100.00 H new ATOM 0 HD2 HIS A 16 -7.832 18.290 -7.863 1.00100.00 H new ATOM 0 HE1 HIS A 16 -4.942 21.388 -7.569 1.00100.00 H new ATOM 0 HE2 HIS A 16 -5.600 19.282 -8.883 1.00100.00 H new ATOM 220 N SER A 17 -11.004 19.149 -7.450 1.00100.00 N ATOM 221 CA SER A 17 -11.631 18.827 -8.711 1.00100.00 C ATOM 222 C SER A 17 -12.415 17.544 -8.744 1.00100.00 C ATOM 223 O SER A 17 -13.494 17.500 -9.334 1.00100.00 O ATOM 224 CB SER A 17 -10.615 18.755 -9.885 1.00100.00 C ATOM 225 OG SER A 17 -9.680 17.722 -9.656 1.00100.00 O ATOM 0 H SER A 17 -10.830 18.350 -6.840 1.00100.00 H new ATOM 0 HA SER A 17 -12.327 19.658 -8.828 1.00100.00 H new ATOM 0 HB2 SER A 17 -11.143 18.577 -10.822 1.00100.00 H new ATOM 0 HB3 SER A 17 -10.097 19.709 -9.987 1.00100.00 H new ATOM 0 HG SER A 17 -9.045 17.684 -10.402 1.00100.00 H new ATOM 231 N MET A 18 -11.895 16.485 -8.083 1.00100.00 N ATOM 232 CA MET A 18 -12.465 15.156 -8.083 1.00100.00 C ATOM 233 C MET A 18 -13.636 14.931 -7.165 1.00100.00 C ATOM 234 O MET A 18 -14.433 15.851 -7.012 1.00100.00 O ATOM 235 CB MET A 18 -11.372 14.082 -7.879 1.00100.00 C ATOM 236 CG MET A 18 -10.275 14.233 -8.929 1.00100.00 C ATOM 237 SD MET A 18 -10.873 14.074 -10.630 1.00100.00 S ATOM 238 CE MET A 18 -9.335 14.470 -11.498 1.00100.00 C ATOM 0 H MET A 18 -11.044 16.553 -7.525 1.00100.00 H new ATOM 0 HA MET A 18 -12.898 15.056 -9.078 1.00100.00 H new ATOM 0 HB2 MET A 18 -10.944 14.175 -6.881 1.00100.00 H new ATOM 0 HB3 MET A 18 -11.813 13.088 -7.945 1.00100.00 H new ATOM 0 HG2 MET A 18 -9.801 15.207 -8.809 1.00100.00 H new ATOM 0 HG3 MET A 18 -9.507 13.480 -8.751 1.00100.00 H new ATOM 0 HE1 MET A 18 -9.502 14.424 -12.574 1.00100.00 H new ATOM 0 HE2 MET A 18 -9.011 15.474 -11.224 1.00100.00 H new ATOM 0 HE3 MET A 18 -8.565 13.751 -11.220 1.00100.00 H new ATOM 248 N THR A 19 -14.093 13.655 -7.101 1.00100.00 N ATOM 249 CA THR A 19 -15.209 13.222 -6.293 1.00100.00 C ATOM 250 C THR A 19 -14.856 13.225 -4.829 1.00100.00 C ATOM 251 O THR A 19 -13.679 13.266 -4.466 1.00100.00 O ATOM 252 CB THR A 19 -15.679 11.815 -6.634 1.00100.00 C ATOM 253 OG1 THR A 19 -14.626 10.901 -6.423 1.00100.00 O ATOM 254 CG2 THR A 19 -16.136 11.742 -8.090 1.00100.00 C ATOM 0 H THR A 19 -13.668 12.895 -7.633 1.00100.00 H new ATOM 0 HA THR A 19 -16.007 13.933 -6.508 1.00100.00 H new ATOM 0 HB THR A 19 -16.520 11.561 -5.989 1.00100.00 H new ATOM 0 HG1 THR A 19 -14.930 9.995 -6.641 1.00100.00 H new ATOM 0 HG21 THR A 19 -16.469 10.729 -8.317 1.00100.00 H new ATOM 0 HG22 THR A 19 -16.960 12.438 -8.248 1.00100.00 H new ATOM 0 HG23 THR A 19 -15.306 12.007 -8.745 1.00100.00 H new ATOM 262 N PHE A 20 -15.889 13.183 -3.948 1.00100.00 N ATOM 263 CA PHE A 20 -15.687 13.147 -2.516 1.00100.00 C ATOM 264 C PHE A 20 -14.951 11.916 -2.053 1.00100.00 C ATOM 265 O PHE A 20 -14.340 11.944 -0.983 1.00100.00 O ATOM 266 CB PHE A 20 -16.944 13.364 -1.659 1.00100.00 C ATOM 267 CG PHE A 20 -17.280 14.832 -1.555 1.00100.00 C ATOM 268 CD1 PHE A 20 -16.495 15.659 -0.739 1.00100.00 C ATOM 269 CD2 PHE A 20 -18.333 15.380 -2.300 1.00100.00 C ATOM 270 CE1 PHE A 20 -16.768 17.030 -0.657 1.00100.00 C ATOM 271 CE2 PHE A 20 -18.615 16.750 -2.208 1.00100.00 C ATOM 272 CZ PHE A 20 -17.831 17.575 -1.389 1.00100.00 C ATOM 0 H PHE A 20 -16.869 13.174 -4.229 1.00100.00 H new ATOM 0 HA PHE A 20 -15.057 14.021 -2.348 1.00100.00 H new ATOM 0 HB2 PHE A 20 -17.784 12.825 -2.096 1.00100.00 H new ATOM 0 HB3 PHE A 20 -16.785 12.952 -0.662 1.00100.00 H new ATOM 0 HD1 PHE A 20 -15.678 15.238 -0.172 1.00100.00 H new ATOM 0 HD2 PHE A 20 -18.926 14.748 -2.944 1.00100.00 H new ATOM 0 HE1 PHE A 20 -16.160 17.666 -0.031 1.00100.00 H new ATOM 0 HE2 PHE A 20 -19.437 17.170 -2.768 1.00100.00 H new ATOM 0 HZ PHE A 20 -18.047 18.631 -1.322 1.00100.00 H new ATOM 282 N GLU A 21 -14.993 10.807 -2.837 1.00100.00 N ATOM 283 CA GLU A 21 -14.268 9.588 -2.539 1.00100.00 C ATOM 284 C GLU A 21 -12.788 9.907 -2.583 1.00100.00 C ATOM 285 O GLU A 21 -12.025 9.480 -1.715 1.00100.00 O ATOM 286 CB GLU A 21 -14.487 8.480 -3.588 1.00100.00 C ATOM 287 CG GLU A 21 -15.965 8.184 -3.827 1.00100.00 C ATOM 288 CD GLU A 21 -16.148 6.949 -4.701 1.00100.00 C ATOM 289 OE1 GLU A 21 -15.339 6.788 -5.640 1.00100.00 O ATOM 290 OE2 GLU A 21 -17.099 6.191 -4.415 1.00100.00 O ATOM 0 H GLU A 21 -15.541 10.755 -3.696 1.00100.00 H new ATOM 0 HA GLU A 21 -14.622 9.236 -1.570 1.00100.00 H new ATOM 0 HB2 GLU A 21 -14.023 8.778 -4.528 1.00100.00 H new ATOM 0 HB3 GLU A 21 -13.986 7.569 -3.260 1.00100.00 H new ATOM 0 HG2 GLU A 21 -16.467 8.033 -2.871 1.00100.00 H new ATOM 0 HG3 GLU A 21 -16.438 9.043 -4.304 1.00100.00 H new ATOM 297 N GLU A 22 -12.381 10.709 -3.600 1.00100.00 N ATOM 298 CA GLU A 22 -11.022 11.126 -3.820 1.00100.00 C ATOM 299 C GLU A 22 -10.733 12.481 -3.210 1.00100.00 C ATOM 300 O GLU A 22 -9.658 13.038 -3.439 1.00100.00 O ATOM 301 CB GLU A 22 -10.655 11.160 -5.325 1.00100.00 C ATOM 302 CG GLU A 22 -10.720 9.760 -5.934 1.00100.00 C ATOM 303 CD GLU A 22 -9.699 8.826 -5.295 1.00100.00 C ATOM 304 OE1 GLU A 22 -8.583 9.309 -5.003 1.00100.00 O ATOM 305 OE2 GLU A 22 -10.052 7.641 -5.114 1.00100.00 O ATOM 0 H GLU A 22 -13.028 11.080 -4.295 1.00100.00 H new ATOM 0 HA GLU A 22 -10.405 10.377 -3.324 1.00100.00 H new ATOM 0 HB2 GLU A 22 -11.338 11.824 -5.855 1.00100.00 H new ATOM 0 HB3 GLU A 22 -9.652 11.569 -5.450 1.00100.00 H new ATOM 0 HG2 GLU A 22 -11.722 9.351 -5.802 1.00100.00 H new ATOM 0 HG3 GLU A 22 -10.539 9.820 -7.007 1.00100.00 H new ATOM 312 N CYS A 23 -11.666 13.031 -2.384 1.00100.00 N ATOM 313 CA CYS A 23 -11.518 14.317 -1.741 1.00100.00 C ATOM 314 C CYS A 23 -10.306 14.362 -0.844 1.00100.00 C ATOM 315 O CYS A 23 -9.624 15.385 -0.914 1.00100.00 O ATOM 316 CB CYS A 23 -12.753 14.793 -0.944 1.00100.00 C ATOM 317 SG CYS A 23 -12.425 16.383 -0.142 1.00100.00 S ATOM 0 H CYS A 23 -12.546 12.567 -2.159 1.00100.00 H new ATOM 0 HA CYS A 23 -11.395 15.008 -2.575 1.00100.00 H new ATOM 0 HB2 CYS A 23 -13.609 14.887 -1.612 1.00100.00 H new ATOM 0 HB3 CYS A 23 -13.016 14.049 -0.192 1.00100.00 H new ATOM 0 HG CYS A 23 -12.101 17.264 -1.041 1.00100.00 H new ATOM 322 N PRO A 24 -9.966 13.327 0.005 1.00100.00 N ATOM 323 CA PRO A 24 -8.769 13.372 0.823 1.00100.00 C ATOM 324 C PRO A 24 -7.524 13.491 -0.020 1.00100.00 C ATOM 325 O PRO A 24 -6.602 14.195 0.397 1.00100.00 O ATOM 326 CB PRO A 24 -8.783 12.109 1.675 1.00100.00 C ATOM 327 CG PRO A 24 -10.257 11.696 1.670 1.00100.00 C ATOM 328 CD PRO A 24 -10.753 12.151 0.299 1.00100.00 C ATOM 0 HA PRO A 24 -8.759 14.256 1.461 1.00100.00 H new ATOM 0 HB2 PRO A 24 -8.146 11.332 1.252 1.00100.00 H new ATOM 0 HB3 PRO A 24 -8.423 12.302 2.686 1.00100.00 H new ATOM 0 HG2 PRO A 24 -10.372 10.620 1.801 1.00100.00 H new ATOM 0 HG3 PRO A 24 -10.811 12.177 2.476 1.00100.00 H new ATOM 0 HD2 PRO A 24 -10.607 11.376 -0.454 1.00100.00 H new ATOM 0 HD3 PRO A 24 -11.818 12.380 0.318 1.00100.00 H new ATOM 336 N LYS A 25 -7.493 12.801 -1.192 1.00100.00 N ATOM 337 CA LYS A 25 -6.391 12.829 -2.122 1.00100.00 C ATOM 338 C LYS A 25 -6.222 14.222 -2.672 1.00100.00 C ATOM 339 O LYS A 25 -5.109 14.740 -2.713 1.00100.00 O ATOM 340 CB LYS A 25 -6.611 11.900 -3.335 1.00100.00 C ATOM 341 CG LYS A 25 -5.399 11.923 -4.267 1.00100.00 C ATOM 342 CD LYS A 25 -5.644 11.035 -5.486 1.00100.00 C ATOM 343 CE LYS A 25 -6.740 11.644 -6.358 1.00100.00 C ATOM 344 NZ LYS A 25 -6.990 10.815 -7.548 1.00100.00 N ATOM 0 H LYS A 25 -8.262 12.205 -1.499 1.00100.00 H new ATOM 0 HA LYS A 25 -5.516 12.495 -1.565 1.00100.00 H new ATOM 0 HB2 LYS A 25 -6.790 10.882 -2.990 1.00100.00 H new ATOM 0 HB3 LYS A 25 -7.501 12.213 -3.881 1.00100.00 H new ATOM 0 HG2 LYS A 25 -5.200 12.945 -4.589 1.00100.00 H new ATOM 0 HG3 LYS A 25 -4.514 11.579 -3.731 1.00100.00 H new ATOM 0 HD2 LYS A 25 -4.724 10.930 -6.062 1.00100.00 H new ATOM 0 HD3 LYS A 25 -5.935 10.035 -5.166 1.00100.00 H new ATOM 0 HE2 LYS A 25 -7.658 11.741 -5.779 1.00100.00 H new ATOM 0 HE3 LYS A 25 -6.449 12.649 -6.665 1.00100.00 H new ATOM 0 HZ1 LYS A 25 -7.739 11.251 -8.124 1.00100.00 H new ATOM 0 HZ2 LYS A 25 -6.118 10.743 -8.111 1.00100.00 H new ATOM 0 HZ3 LYS A 25 -7.290 9.864 -7.252 1.00100.00 H new ATOM 358 N CYS A 26 -7.352 14.863 -3.063 1.00100.00 N ATOM 359 CA CYS A 26 -7.392 16.192 -3.616 1.00100.00 C ATOM 360 C CYS A 26 -6.883 17.196 -2.624 1.00100.00 C ATOM 361 O CYS A 26 -6.124 18.102 -2.986 1.00100.00 O ATOM 362 CB CYS A 26 -8.815 16.595 -4.028 1.00100.00 C ATOM 363 SG CYS A 26 -9.302 15.690 -5.516 1.00100.00 S ATOM 0 H CYS A 26 -8.275 14.435 -2.990 1.00100.00 H new ATOM 0 HA CYS A 26 -6.755 16.182 -4.500 1.00100.00 H new ATOM 0 HB2 CYS A 26 -9.512 16.382 -3.217 1.00100.00 H new ATOM 0 HB3 CYS A 26 -8.860 17.668 -4.213 1.00100.00 H new ATOM 0 HG CYS A 26 -9.615 14.469 -5.198 1.00100.00 H new ATOM 369 N SER A 27 -7.294 17.028 -1.344 1.00100.00 N ATOM 370 CA SER A 27 -6.899 17.879 -0.264 1.00100.00 C ATOM 371 C SER A 27 -5.422 17.786 -0.047 1.00100.00 C ATOM 372 O SER A 27 -4.764 18.811 0.086 1.00100.00 O ATOM 373 CB SER A 27 -7.604 17.547 1.049 1.00100.00 C ATOM 374 OG SER A 27 -7.287 18.521 2.016 1.00100.00 O ATOM 0 H SER A 27 -7.920 16.275 -1.058 1.00100.00 H new ATOM 0 HA SER A 27 -7.187 18.890 -0.553 1.00100.00 H new ATOM 0 HB2 SER A 27 -8.682 17.511 0.895 1.00100.00 H new ATOM 0 HB3 SER A 27 -7.298 16.561 1.398 1.00100.00 H new ATOM 0 HG SER A 27 -8.035 18.617 2.642 1.00100.00 H new ATOM 380 N ALA A 28 -4.875 16.552 -0.055 1.00100.00 N ATOM 381 CA ALA A 28 -3.472 16.299 0.132 1.00100.00 C ATOM 382 C ALA A 28 -2.636 16.886 -0.969 1.00100.00 C ATOM 383 O ALA A 28 -1.569 17.444 -0.710 1.00100.00 O ATOM 384 CB ALA A 28 -3.154 14.794 0.200 1.00100.00 C ATOM 0 H ALA A 28 -5.424 15.704 -0.196 1.00100.00 H new ATOM 0 HA ALA A 28 -3.226 16.775 1.081 1.00100.00 H new ATOM 0 HB1 ALA A 28 -2.082 14.655 0.342 1.00100.00 H new ATOM 0 HB2 ALA A 28 -3.692 14.346 1.035 1.00100.00 H new ATOM 0 HB3 ALA A 28 -3.462 14.315 -0.729 1.00100.00 H new ATOM 390 N LEU A 29 -3.135 16.786 -2.223 1.00100.00 N ATOM 391 CA LEU A 29 -2.453 17.255 -3.400 1.00100.00 C ATOM 392 C LEU A 29 -2.171 18.723 -3.406 1.00100.00 C ATOM 393 O LEU A 29 -1.020 19.095 -3.646 1.00100.00 O ATOM 394 CB LEU A 29 -3.261 17.001 -4.694 1.00100.00 C ATOM 395 CG LEU A 29 -2.711 15.827 -5.508 1.00100.00 C ATOM 396 CD1 LEU A 29 -2.583 14.546 -4.684 1.00100.00 C ATOM 397 CD2 LEU A 29 -3.663 15.573 -6.677 1.00100.00 C ATOM 0 H LEU A 29 -4.042 16.365 -2.424 1.00100.00 H new ATOM 0 HA LEU A 29 -1.522 16.688 -3.374 1.00100.00 H new ATOM 0 HB2 LEU A 29 -4.302 16.804 -4.436 1.00100.00 H new ATOM 0 HB3 LEU A 29 -3.250 17.901 -5.308 1.00100.00 H new ATOM 0 HG LEU A 29 -1.710 16.091 -5.849 1.00100.00 H new ATOM 0 HD11 LEU A 29 -2.188 13.747 -5.312 1.00100.00 H new ATOM 0 HD12 LEU A 29 -1.906 14.718 -3.847 1.00100.00 H new ATOM 0 HD13 LEU A 29 -3.563 14.258 -4.304 1.00100.00 H new ATOM 0 HD21 LEU A 29 -3.292 14.739 -7.274 1.00100.00 H new ATOM 0 HD22 LEU A 29 -4.654 15.332 -6.293 1.00100.00 H new ATOM 0 HD23 LEU A 29 -3.722 16.466 -7.299 1.00100.00 H new ATOM 409 N GLN A 30 -3.198 19.573 -3.151 1.00100.00 N ATOM 410 CA GLN A 30 -2.961 20.994 -3.204 1.00100.00 C ATOM 411 C GLN A 30 -2.777 21.629 -1.856 1.00100.00 C ATOM 412 O GLN A 30 -2.068 22.631 -1.749 1.00100.00 O ATOM 413 CB GLN A 30 -4.087 21.757 -3.951 1.00100.00 C ATOM 414 CG GLN A 30 -3.809 23.250 -4.117 1.00100.00 C ATOM 415 CD GLN A 30 -4.983 23.932 -4.808 1.00100.00 C ATOM 416 OE1 GLN A 30 -6.023 24.149 -4.190 1.00100.00 O ATOM 417 NE2 GLN A 30 -4.820 24.274 -6.089 1.00100.00 N ATOM 0 H GLN A 30 -4.151 19.293 -2.918 1.00100.00 H new ATOM 0 HA GLN A 30 -2.025 21.081 -3.757 1.00100.00 H new ATOM 0 HB2 GLN A 30 -4.226 21.310 -4.936 1.00100.00 H new ATOM 0 HB3 GLN A 30 -5.023 21.629 -3.408 1.00100.00 H new ATOM 0 HG2 GLN A 30 -3.637 23.706 -3.142 1.00100.00 H new ATOM 0 HG3 GLN A 30 -2.900 23.395 -4.701 1.00100.00 H new ATOM 0 HE21 GLN A 30 -3.939 24.074 -6.562 1.00100.00 H new ATOM 0 HE22 GLN A 30 -5.577 24.735 -6.594 1.00100.00 H new ATOM 426 N TYR A 31 -3.354 21.033 -0.790 1.00100.00 N ATOM 427 CA TYR A 31 -3.329 21.526 0.569 1.00100.00 C ATOM 428 C TYR A 31 -4.244 22.695 0.801 1.00100.00 C ATOM 429 O TYR A 31 -5.057 22.611 1.721 1.00100.00 O ATOM 430 CB TYR A 31 -1.951 21.873 1.191 1.00100.00 C ATOM 431 CG TYR A 31 -1.002 20.699 1.172 1.00100.00 C ATOM 432 CD1 TYR A 31 -1.160 19.663 2.103 1.00100.00 C ATOM 433 CD2 TYR A 31 0.015 20.633 0.209 1.00100.00 C ATOM 434 CE1 TYR A 31 -0.298 18.559 2.080 1.00100.00 C ATOM 435 CE2 TYR A 31 0.882 19.532 0.178 1.00100.00 C ATOM 436 CZ TYR A 31 0.730 18.490 1.116 1.00100.00 C ATOM 437 OH TYR A 31 1.569 17.415 1.086 1.00100.00 O ATOM 0 H TYR A 31 -3.869 20.157 -0.877 1.00100.00 H new ATOM 0 HA TYR A 31 -3.682 20.635 1.088 1.00100.00 H new ATOM 0 HB2 TYR A 31 -1.507 22.705 0.644 1.00100.00 H new ATOM 0 HB3 TYR A 31 -2.092 22.206 2.219 1.00100.00 H new ATOM 0 HD1 TYR A 31 -1.948 19.716 2.840 1.00100.00 H new ATOM 0 HD2 TYR A 31 0.130 21.431 -0.509 1.00100.00 H new ATOM 0 HE1 TYR A 31 -0.420 17.762 2.799 1.00100.00 H new ATOM 0 HE2 TYR A 31 1.666 19.482 -0.563 1.00100.00 H new ATOM 0 HH TYR A 31 2.218 17.527 0.360 1.00100.00 H new ATOM 447 N ARG A 32 -4.156 23.789 -0.007 1.00100.00 N ATOM 448 CA ARG A 32 -4.992 24.959 0.169 1.00100.00 C ATOM 449 C ARG A 32 -6.440 24.608 -0.057 1.00100.00 C ATOM 450 O ARG A 32 -7.228 24.670 0.887 1.00100.00 O ATOM 451 CB ARG A 32 -4.585 26.060 -0.832 1.00100.00 C ATOM 452 CG ARG A 32 -5.394 27.334 -0.582 1.00100.00 C ATOM 453 CD ARG A 32 -4.974 28.424 -1.567 1.00100.00 C ATOM 454 NE ARG A 32 -3.558 28.763 -1.401 1.00100.00 N ATOM 455 CZ ARG A 32 -2.609 28.531 -2.321 1.00100.00 C ATOM 456 NH1 ARG A 32 -2.918 27.983 -3.505 1.00100.00 N ATOM 457 NH2 ARG A 32 -1.337 28.854 -2.052 1.00100.00 N ATOM 0 H ARG A 32 -3.501 23.861 -0.786 1.00100.00 H new ATOM 0 HA ARG A 32 -4.859 25.321 1.188 1.00100.00 H new ATOM 0 HB2 ARG A 32 -3.520 26.273 -0.735 1.00100.00 H new ATOM 0 HB3 ARG A 32 -4.749 25.712 -1.852 1.00100.00 H new ATOM 0 HG2 ARG A 32 -6.458 27.125 -0.690 1.00100.00 H new ATOM 0 HG3 ARG A 32 -5.239 27.678 0.441 1.00100.00 H new ATOM 0 HD2 ARG A 32 -5.154 28.086 -2.588 1.00100.00 H new ATOM 0 HD3 ARG A 32 -5.585 29.313 -1.413 1.00100.00 H new ATOM 0 HE ARG A 32 -3.274 29.205 -0.527 1.00100.00 H new ATOM 0 HH11 ARG A 32 -3.885 27.737 -3.716 1.00100.00 H new ATOM 0 HH12 ARG A 32 -2.186 27.812 -4.195 1.00100.00 H new ATOM 0 HH21 ARG A 32 -1.096 29.273 -1.154 1.00100.00 H new ATOM 0 HH22 ARG A 32 -0.609 28.681 -2.746 1.00100.00 H new ATOM 471 N ASN A 33 -6.799 24.182 -1.297 1.00100.00 N ATOM 472 CA ASN A 33 -8.126 23.746 -1.685 1.00100.00 C ATOM 473 C ASN A 33 -9.240 24.682 -1.282 1.00100.00 C ATOM 474 O ASN A 33 -10.284 24.245 -0.791 1.00100.00 O ATOM 475 CB ASN A 33 -8.386 22.300 -1.206 1.00100.00 C ATOM 476 CG ASN A 33 -7.299 21.403 -1.778 1.00100.00 C ATOM 477 OD1 ASN A 33 -7.319 21.082 -2.963 1.00100.00 O ATOM 478 ND2 ASN A 33 -6.327 21.032 -0.943 1.00100.00 N ATOM 0 H ASN A 33 -6.132 24.139 -2.067 1.00100.00 H new ATOM 0 HA ASN A 33 -8.138 23.765 -2.775 1.00100.00 H new ATOM 0 HB2 ASN A 33 -8.381 22.254 -0.117 1.00100.00 H new ATOM 0 HB3 ASN A 33 -9.369 21.962 -1.535 1.00100.00 H new ATOM 0 HD21 ASN A 33 -5.556 20.456 -1.281 1.00100.00 H new ATOM 0 HD22 ASN A 33 -6.355 21.324 0.034 1.00100.00 H new ATOM 485 N GLY A 34 -9.037 26.007 -1.479 1.00100.00 N ATOM 486 CA GLY A 34 -10.030 26.993 -1.111 1.00100.00 C ATOM 487 C GLY A 34 -10.081 27.219 0.374 1.00100.00 C ATOM 488 O GLY A 34 -11.088 27.702 0.893 1.00100.00 O ATOM 0 H GLY A 34 -8.190 26.397 -1.891 1.00100.00 H new ATOM 0 HA2 GLY A 34 -9.808 27.935 -1.613 1.00100.00 H new ATOM 0 HA3 GLY A 34 -11.010 26.668 -1.461 1.00100.00 H new ATOM 492 N PHE A 35 -8.970 26.877 1.075 1.00100.00 N ATOM 493 CA PHE A 35 -8.785 26.979 2.499 1.00100.00 C ATOM 494 C PHE A 35 -9.824 26.217 3.282 1.00100.00 C ATOM 495 O PHE A 35 -10.311 26.655 4.327 1.00100.00 O ATOM 496 CB PHE A 35 -8.671 28.427 3.020 1.00100.00 C ATOM 497 CG PHE A 35 -7.508 29.192 2.440 1.00100.00 C ATOM 498 CD1 PHE A 35 -6.232 29.068 3.008 1.00100.00 C ATOM 499 CD2 PHE A 35 -7.704 30.033 1.337 1.00100.00 C ATOM 500 CE1 PHE A 35 -5.157 29.791 2.475 1.00100.00 C ATOM 501 CE2 PHE A 35 -6.633 30.765 0.812 1.00100.00 C ATOM 502 CZ PHE A 35 -5.358 30.643 1.380 1.00100.00 C ATOM 0 H PHE A 35 -8.144 26.503 0.609 1.00100.00 H new ATOM 0 HA PHE A 35 -7.817 26.508 2.671 1.00100.00 H new ATOM 0 HB2 PHE A 35 -9.594 28.959 2.792 1.00100.00 H new ATOM 0 HB3 PHE A 35 -8.575 28.406 4.106 1.00100.00 H new ATOM 0 HD1 PHE A 35 -6.078 28.416 3.855 1.00100.00 H new ATOM 0 HD2 PHE A 35 -8.684 30.117 0.891 1.00100.00 H new ATOM 0 HE1 PHE A 35 -4.173 29.692 2.908 1.00100.00 H new ATOM 0 HE2 PHE A 35 -6.789 31.423 -0.030 1.00100.00 H new ATOM 0 HZ PHE A 35 -4.530 31.205 0.974 1.00100.00 H new ATOM 512 N TYR A 36 -10.178 25.024 2.753 1.00100.00 N ATOM 513 CA TYR A 36 -11.111 24.089 3.336 1.00100.00 C ATOM 514 C TYR A 36 -10.550 23.639 4.671 1.00100.00 C ATOM 515 O TYR A 36 -11.274 23.588 5.668 1.00100.00 O ATOM 516 CB TYR A 36 -11.271 22.887 2.364 1.00100.00 C ATOM 517 CG TYR A 36 -12.102 21.764 2.936 1.00100.00 C ATOM 518 CD1 TYR A 36 -13.411 22.015 3.366 1.00100.00 C ATOM 519 CD2 TYR A 36 -11.557 20.477 3.043 1.00100.00 C ATOM 520 CE1 TYR A 36 -14.189 20.976 3.893 1.00100.00 C ATOM 521 CE2 TYR A 36 -12.327 19.433 3.573 1.00100.00 C ATOM 522 CZ TYR A 36 -13.649 19.678 3.997 1.00100.00 C ATOM 523 OH TYR A 36 -14.403 18.662 4.508 1.00100.00 O ATOM 0 H TYR A 36 -9.793 24.691 1.869 1.00100.00 H new ATOM 0 HA TYR A 36 -12.090 24.542 3.496 1.00100.00 H new ATOM 0 HB2 TYR A 36 -11.731 23.235 1.439 1.00100.00 H new ATOM 0 HB3 TYR A 36 -10.284 22.504 2.105 1.00100.00 H new ATOM 0 HD1 TYR A 36 -13.821 23.011 3.291 1.00100.00 H new ATOM 0 HD2 TYR A 36 -10.544 20.290 2.717 1.00100.00 H new ATOM 0 HE1 TYR A 36 -15.200 21.169 4.219 1.00100.00 H new ATOM 0 HE2 TYR A 36 -11.908 18.441 3.657 1.00100.00 H new ATOM 0 HH TYR A 36 -13.879 17.834 4.508 1.00100.00 H new ATOM 533 N LEU A 37 -9.227 23.337 4.699 1.00100.00 N ATOM 534 CA LEU A 37 -8.533 22.910 5.883 1.00100.00 C ATOM 535 C LEU A 37 -7.979 24.170 6.481 1.00100.00 C ATOM 536 O LEU A 37 -7.110 24.825 5.902 1.00100.00 O ATOM 537 CB LEU A 37 -7.286 22.038 5.610 1.00100.00 C ATOM 538 CG LEU A 37 -7.617 20.742 4.868 1.00100.00 C ATOM 539 CD1 LEU A 37 -6.319 19.949 4.712 1.00100.00 C ATOM 540 CD2 LEU A 37 -8.633 19.902 5.642 1.00100.00 C ATOM 0 H LEU A 37 -8.628 23.392 3.875 1.00100.00 H new ATOM 0 HA LEU A 37 -9.231 22.333 6.489 1.00100.00 H new ATOM 0 HB2 LEU A 37 -6.568 22.613 5.025 1.00100.00 H new ATOM 0 HB3 LEU A 37 -6.804 21.796 6.557 1.00100.00 H new ATOM 0 HG LEU A 37 -8.054 20.983 3.899 1.00100.00 H new ATOM 0 HD11 LEU A 37 -6.523 19.017 4.185 1.00100.00 H new ATOM 0 HD12 LEU A 37 -5.599 20.537 4.143 1.00100.00 H new ATOM 0 HD13 LEU A 37 -5.908 19.727 5.697 1.00100.00 H new ATOM 0 HD21 LEU A 37 -8.847 18.988 5.088 1.00100.00 H new ATOM 0 HD22 LEU A 37 -8.224 19.647 6.620 1.00100.00 H new ATOM 0 HD23 LEU A 37 -9.553 20.472 5.771 1.00100.00 H new ATOM 552 N LEU A 38 -8.490 24.515 7.677 1.00100.00 N ATOM 553 CA LEU A 38 -8.121 25.678 8.448 1.00100.00 C ATOM 554 C LEU A 38 -6.687 25.642 8.913 1.00100.00 C ATOM 555 O LEU A 38 -6.007 26.668 8.933 1.00100.00 O ATOM 556 CB LEU A 38 -9.028 25.878 9.678 1.00100.00 C ATOM 557 CG LEU A 38 -10.466 26.177 9.243 1.00100.00 C ATOM 558 CD1 LEU A 38 -11.353 26.261 10.484 1.00100.00 C ATOM 559 CD2 LEU A 38 -10.553 27.506 8.488 1.00100.00 C ATOM 0 H LEU A 38 -9.204 23.952 8.139 1.00100.00 H new ATOM 0 HA LEU A 38 -8.249 26.516 7.763 1.00100.00 H new ATOM 0 HB2 LEU A 38 -9.009 24.983 10.300 1.00100.00 H new ATOM 0 HB3 LEU A 38 -8.648 26.698 10.287 1.00100.00 H new ATOM 0 HG LEU A 38 -10.797 25.377 8.580 1.00100.00 H new ATOM 0 HD11 LEU A 38 -12.379 26.474 10.184 1.00100.00 H new ATOM 0 HD12 LEU A 38 -11.321 25.312 11.019 1.00100.00 H new ATOM 0 HD13 LEU A 38 -10.993 27.057 11.135 1.00100.00 H new ATOM 0 HD21 LEU A 38 -11.586 27.690 8.193 1.00100.00 H new ATOM 0 HD22 LEU A 38 -10.211 28.315 9.134 1.00100.00 H new ATOM 0 HD23 LEU A 38 -9.924 27.461 7.599 1.00100.00 H new ATOM 571 N LYS A 39 -6.201 24.428 9.264 1.00100.00 N ATOM 572 CA LYS A 39 -4.879 24.156 9.781 1.00100.00 C ATOM 573 C LYS A 39 -3.747 24.528 8.864 1.00100.00 C ATOM 574 O LYS A 39 -2.636 24.753 9.342 1.00100.00 O ATOM 575 CB LYS A 39 -4.681 22.674 10.132 1.00100.00 C ATOM 576 CG LYS A 39 -5.693 22.255 11.197 1.00100.00 C ATOM 577 CD LYS A 39 -5.461 20.799 11.593 1.00100.00 C ATOM 578 CE LYS A 39 -6.470 20.398 12.666 1.00100.00 C ATOM 579 NZ LYS A 39 -6.269 19.002 13.085 1.00100.00 N ATOM 0 H LYS A 39 -6.765 23.582 9.182 1.00100.00 H new ATOM 0 HA LYS A 39 -4.840 24.790 10.667 1.00100.00 H new ATOM 0 HB2 LYS A 39 -4.803 22.060 9.240 1.00100.00 H new ATOM 0 HB3 LYS A 39 -3.667 22.509 10.496 1.00100.00 H new ATOM 0 HG2 LYS A 39 -5.600 22.898 12.072 1.00100.00 H new ATOM 0 HG3 LYS A 39 -6.707 22.380 10.816 1.00100.00 H new ATOM 0 HD2 LYS A 39 -5.564 20.153 10.721 1.00100.00 H new ATOM 0 HD3 LYS A 39 -4.445 20.670 11.967 1.00100.00 H new ATOM 0 HE2 LYS A 39 -6.371 21.058 13.528 1.00100.00 H new ATOM 0 HE3 LYS A 39 -7.483 20.524 12.283 1.00100.00 H new ATOM 0 HZ1 LYS A 39 -6.967 18.755 13.815 1.00100.00 H new ATOM 0 HZ2 LYS A 39 -6.387 18.373 12.265 1.00100.00 H new ATOM 0 HZ3 LYS A 39 -5.310 18.890 13.472 1.00100.00 H new ATOM 593 N TYR A 40 -4.002 24.606 7.539 1.00100.00 N ATOM 594 CA TYR A 40 -3.031 24.956 6.531 1.00100.00 C ATOM 595 C TYR A 40 -2.459 26.336 6.762 1.00100.00 C ATOM 596 O TYR A 40 -1.242 26.521 6.671 1.00100.00 O ATOM 597 CB TYR A 40 -3.719 24.889 5.131 1.00100.00 C ATOM 598 CG TYR A 40 -2.916 25.438 3.976 1.00100.00 C ATOM 599 CD1 TYR A 40 -1.856 24.697 3.436 1.00100.00 C ATOM 600 CD2 TYR A 40 -3.272 26.672 3.413 1.00100.00 C ATOM 601 CE1 TYR A 40 -1.152 25.184 2.326 1.00100.00 C ATOM 602 CE2 TYR A 40 -2.576 27.166 2.302 1.00100.00 C ATOM 603 CZ TYR A 40 -1.513 26.421 1.751 1.00100.00 C ATOM 604 OH TYR A 40 -0.840 26.895 0.663 1.00100.00 O ATOM 0 H TYR A 40 -4.926 24.417 7.150 1.00100.00 H new ATOM 0 HA TYR A 40 -2.203 24.249 6.582 1.00100.00 H new ATOM 0 HB2 TYR A 40 -3.963 23.849 4.917 1.00100.00 H new ATOM 0 HB3 TYR A 40 -4.662 25.433 5.184 1.00100.00 H new ATOM 0 HD1 TYR A 40 -1.581 23.750 3.876 1.00100.00 H new ATOM 0 HD2 TYR A 40 -4.085 27.243 3.837 1.00100.00 H new ATOM 0 HE1 TYR A 40 -0.334 24.613 1.911 1.00100.00 H new ATOM 0 HE2 TYR A 40 -2.853 28.116 1.868 1.00100.00 H new ATOM 0 HH TYR A 40 -1.218 27.758 0.395 1.00100.00 H new ATOM 614 N ASP A 41 -3.327 27.317 7.094 1.00100.00 N ATOM 615 CA ASP A 41 -2.904 28.675 7.301 1.00100.00 C ATOM 616 C ASP A 41 -2.144 28.808 8.597 1.00100.00 C ATOM 617 O ASP A 41 -2.523 28.254 9.629 1.00100.00 O ATOM 618 CB ASP A 41 -4.096 29.657 7.242 1.00100.00 C ATOM 619 CG ASP A 41 -3.633 31.102 7.343 1.00100.00 C ATOM 620 OD1 ASP A 41 -3.042 31.580 6.351 1.00100.00 O ATOM 621 OD2 ASP A 41 -3.881 31.705 8.409 1.00100.00 O ATOM 0 H ASP A 41 -4.328 27.168 7.220 1.00100.00 H new ATOM 0 HA ASP A 41 -2.229 28.941 6.487 1.00100.00 H new ATOM 0 HB2 ASP A 41 -4.642 29.513 6.309 1.00100.00 H new ATOM 0 HB3 ASP A 41 -4.789 29.438 8.054 1.00100.00 H new ATOM 626 N GLU A 42 -1.023 29.560 8.537 1.00100.00 N ATOM 627 CA GLU A 42 -0.144 29.816 9.653 1.00100.00 C ATOM 628 C GLU A 42 -0.817 30.586 10.754 1.00100.00 C ATOM 629 O GLU A 42 -0.611 30.291 11.931 1.00100.00 O ATOM 630 CB GLU A 42 1.137 30.554 9.238 1.00100.00 C ATOM 631 CG GLU A 42 1.905 29.741 8.198 1.00100.00 C ATOM 632 CD GLU A 42 3.197 30.447 7.810 1.00100.00 C ATOM 633 OE1 GLU A 42 3.092 31.486 7.124 1.00100.00 O ATOM 634 OE2 GLU A 42 4.266 29.935 8.208 1.00100.00 O ATOM 0 H GLU A 42 -0.713 30.010 7.676 1.00100.00 H new ATOM 0 HA GLU A 42 0.125 28.829 10.029 1.00100.00 H new ATOM 0 HB2 GLU A 42 0.885 31.533 8.830 1.00100.00 H new ATOM 0 HB3 GLU A 42 1.765 30.725 10.112 1.00100.00 H new ATOM 0 HG2 GLU A 42 2.131 28.752 8.597 1.00100.00 H new ATOM 0 HG3 GLU A 42 1.285 29.594 7.314 1.00100.00 H new ATOM 641 N GLU A 43 -1.654 31.581 10.382 1.00100.00 N ATOM 642 CA GLU A 43 -2.376 32.407 11.319 1.00100.00 C ATOM 643 C GLU A 43 -3.680 31.757 11.728 1.00100.00 C ATOM 644 O GLU A 43 -4.402 32.306 12.562 1.00100.00 O ATOM 645 CB GLU A 43 -2.710 33.800 10.735 1.00100.00 C ATOM 646 CG GLU A 43 -1.435 34.545 10.342 1.00100.00 C ATOM 647 CD GLU A 43 -0.525 34.761 11.544 1.00100.00 C ATOM 648 OE1 GLU A 43 -1.040 35.261 12.567 1.00100.00 O ATOM 649 OE2 GLU A 43 0.671 34.420 11.419 1.00100.00 O ATOM 0 H GLU A 43 -1.835 31.819 9.407 1.00100.00 H new ATOM 0 HA GLU A 43 -1.719 32.523 12.181 1.00100.00 H new ATOM 0 HB2 GLU A 43 -3.355 33.688 9.863 1.00100.00 H new ATOM 0 HB3 GLU A 43 -3.265 34.383 11.469 1.00100.00 H new ATOM 0 HG2 GLU A 43 -0.902 33.980 9.577 1.00100.00 H new ATOM 0 HG3 GLU A 43 -1.695 35.508 9.903 1.00100.00 H new ATOM 656 N TRP A 44 -3.992 30.558 11.161 1.00100.00 N ATOM 657 CA TRP A 44 -5.163 29.735 11.358 1.00100.00 C ATOM 658 C TRP A 44 -6.380 30.309 10.681 1.00100.00 C ATOM 659 O TRP A 44 -7.156 29.539 10.119 1.00100.00 O ATOM 660 CB TRP A 44 -5.465 29.348 12.836 1.00100.00 C ATOM 661 CG TRP A 44 -6.656 28.460 12.998 1.00100.00 C ATOM 662 CD1 TRP A 44 -6.644 27.110 12.946 1.00100.00 C ATOM 663 CD2 TRP A 44 -8.047 28.839 13.215 1.00100.00 C ATOM 664 NE1 TRP A 44 -7.922 26.629 13.131 1.00100.00 N ATOM 665 CE2 TRP A 44 -8.828 27.655 13.309 1.00100.00 C ATOM 666 CE3 TRP A 44 -8.728 30.064 13.339 1.00100.00 C ATOM 667 CZ2 TRP A 44 -10.209 27.682 13.531 1.00100.00 C ATOM 668 CZ3 TRP A 44 -10.114 30.104 13.555 1.00100.00 C ATOM 669 CH2 TRP A 44 -10.855 28.918 13.654 1.00100.00 C ATOM 0 H TRP A 44 -3.352 30.125 10.495 1.00100.00 H new ATOM 0 HA TRP A 44 -4.907 28.794 10.871 1.00100.00 H new ATOM 0 HB2 TRP A 44 -4.592 28.849 13.256 1.00100.00 H new ATOM 0 HB3 TRP A 44 -5.621 30.258 13.415 1.00100.00 H new ATOM 0 HD1 TRP A 44 -5.767 26.501 12.784 1.00100.00 H new ATOM 0 HE1 TRP A 44 -8.168 25.639 13.136 1.00100.00 H new ATOM 0 HE3 TRP A 44 -8.175 30.989 13.267 1.00100.00 H new ATOM 0 HZ2 TRP A 44 -10.769 26.762 13.606 1.00100.00 H new ATOM 0 HZ3 TRP A 44 -10.614 31.057 13.646 1.00100.00 H new ATOM 0 HH2 TRP A 44 -11.921 28.958 13.825 1.00100.00 H new ATOM 680 N TYR A 45 -6.582 31.649 10.725 1.00100.00 N ATOM 681 CA TYR A 45 -7.700 32.325 10.125 1.00100.00 C ATOM 682 C TYR A 45 -7.241 32.699 8.725 1.00100.00 C ATOM 683 O TYR A 45 -6.415 33.603 8.567 1.00100.00 O ATOM 684 CB TYR A 45 -8.005 33.599 10.955 1.00100.00 C ATOM 685 CG TYR A 45 -9.150 34.421 10.412 1.00100.00 C ATOM 686 CD1 TYR A 45 -8.903 35.431 9.470 1.00100.00 C ATOM 687 CD2 TYR A 45 -10.457 34.182 10.860 1.00100.00 C ATOM 688 CE1 TYR A 45 -9.962 36.201 8.971 1.00100.00 C ATOM 689 CE2 TYR A 45 -11.521 34.952 10.372 1.00100.00 C ATOM 690 CZ TYR A 45 -11.277 35.966 9.422 1.00100.00 C ATOM 691 OH TYR A 45 -12.307 36.717 8.940 1.00100.00 O ATOM 0 H TYR A 45 -5.939 32.284 11.198 1.00100.00 H new ATOM 0 HA TYR A 45 -8.602 31.714 10.093 1.00100.00 H new ATOM 0 HB2 TYR A 45 -8.234 33.307 11.980 1.00100.00 H new ATOM 0 HB3 TYR A 45 -7.110 34.220 10.992 1.00100.00 H new ATOM 0 HD1 TYR A 45 -7.895 35.615 9.129 1.00100.00 H new ATOM 0 HD2 TYR A 45 -10.644 33.402 11.583 1.00100.00 H new ATOM 0 HE1 TYR A 45 -9.771 36.974 8.241 1.00100.00 H new ATOM 0 HE2 TYR A 45 -12.526 34.770 10.722 1.00100.00 H new ATOM 0 HH TYR A 45 -12.104 37.002 8.025 1.00100.00 H new ATOM 701 N PRO A 46 -7.759 31.999 7.675 1.00100.00 N ATOM 702 CA PRO A 46 -7.420 32.230 6.290 1.00100.00 C ATOM 703 C PRO A 46 -8.161 33.372 5.653 1.00100.00 C ATOM 704 O PRO A 46 -9.115 33.885 6.243 1.00100.00 O ATOM 705 CB PRO A 46 -7.726 30.908 5.608 1.00100.00 C ATOM 706 CG PRO A 46 -8.986 30.464 6.342 1.00100.00 C ATOM 707 CD PRO A 46 -8.672 30.873 7.778 1.00100.00 C ATOM 0 HA PRO A 46 -6.378 32.534 6.194 1.00100.00 H new ATOM 0 HB2 PRO A 46 -7.897 31.030 4.538 1.00100.00 H new ATOM 0 HB3 PRO A 46 -6.913 30.191 5.721 1.00100.00 H new ATOM 0 HG2 PRO A 46 -9.878 30.962 5.961 1.00100.00 H new ATOM 0 HG3 PRO A 46 -9.156 29.391 6.250 1.00100.00 H new ATOM 0 HD2 PRO A 46 -9.580 31.152 8.313 1.00100.00 H new ATOM 0 HD3 PRO A 46 -8.218 30.050 8.329 1.00100.00 H new ATOM 715 N GLU A 47 -7.698 33.782 4.447 1.00100.00 N ATOM 716 CA GLU A 47 -8.292 34.826 3.655 1.00100.00 C ATOM 717 C GLU A 47 -9.684 34.407 3.239 1.00100.00 C ATOM 718 O GLU A 47 -10.621 35.197 3.357 1.00100.00 O ATOM 719 CB GLU A 47 -7.473 35.083 2.379 1.00100.00 C ATOM 720 CG GLU A 47 -6.065 35.554 2.738 1.00100.00 C ATOM 721 CD GLU A 47 -5.275 35.901 1.483 1.00100.00 C ATOM 722 OE1 GLU A 47 -5.041 34.969 0.683 1.00100.00 O ATOM 723 OE2 GLU A 47 -4.920 37.091 1.346 1.00100.00 O ATOM 0 H GLU A 47 -6.876 33.368 4.008 1.00100.00 H new ATOM 0 HA GLU A 47 -8.319 35.734 4.257 1.00100.00 H new ATOM 0 HB2 GLU A 47 -7.418 34.171 1.784 1.00100.00 H new ATOM 0 HB3 GLU A 47 -7.970 35.834 1.765 1.00100.00 H new ATOM 0 HG2 GLU A 47 -6.123 36.426 3.389 1.00100.00 H new ATOM 0 HG3 GLU A 47 -5.547 34.774 3.295 1.00100.00 H new ATOM 730 N GLU A 48 -9.840 33.135 2.781 1.00100.00 N ATOM 731 CA GLU A 48 -11.123 32.638 2.362 1.00100.00 C ATOM 732 C GLU A 48 -11.510 31.612 3.387 1.00100.00 C ATOM 733 O GLU A 48 -10.948 30.517 3.444 1.00100.00 O ATOM 734 CB GLU A 48 -11.080 31.942 0.976 1.00100.00 C ATOM 735 CG GLU A 48 -10.668 32.915 -0.127 1.00100.00 C ATOM 736 CD GLU A 48 -11.700 34.022 -0.296 1.00100.00 C ATOM 737 OE1 GLU A 48 -12.871 33.671 -0.556 1.00100.00 O ATOM 738 OE2 GLU A 48 -11.299 35.199 -0.164 1.00100.00 O ATOM 0 H GLU A 48 -9.080 32.460 2.703 1.00100.00 H new ATOM 0 HA GLU A 48 -11.823 33.469 2.277 1.00100.00 H new ATOM 0 HB2 GLU A 48 -10.378 31.108 1.008 1.00100.00 H new ATOM 0 HB3 GLU A 48 -12.060 31.525 0.747 1.00100.00 H new ATOM 0 HG2 GLU A 48 -9.698 33.351 0.112 1.00100.00 H new ATOM 0 HG3 GLU A 48 -10.552 32.376 -1.067 1.00100.00 H new ATOM 745 N LEU A 49 -12.464 31.990 4.262 1.00100.00 N ATOM 746 CA LEU A 49 -12.969 31.131 5.303 1.00100.00 C ATOM 747 C LEU A 49 -13.798 29.997 4.788 1.00100.00 C ATOM 748 O LEU A 49 -13.673 28.863 5.253 1.00100.00 O ATOM 749 CB LEU A 49 -13.877 31.874 6.301 1.00100.00 C ATOM 750 CG LEU A 49 -13.124 32.999 7.016 1.00100.00 C ATOM 751 CD1 LEU A 49 -14.105 33.773 7.893 1.00100.00 C ATOM 752 CD2 LEU A 49 -12.012 32.427 7.894 1.00100.00 C ATOM 0 H LEU A 49 -12.897 32.913 4.249 1.00100.00 H new ATOM 0 HA LEU A 49 -12.061 30.764 5.782 1.00100.00 H new ATOM 0 HB2 LEU A 49 -14.736 32.288 5.774 1.00100.00 H new ATOM 0 HB3 LEU A 49 -14.264 31.169 7.037 1.00100.00 H new ATOM 0 HG LEU A 49 -12.679 33.658 6.270 1.00100.00 H new ATOM 0 HD11 LEU A 49 -13.578 34.577 8.407 1.00100.00 H new ATOM 0 HD12 LEU A 49 -14.894 34.196 7.271 1.00100.00 H new ATOM 0 HD13 LEU A 49 -14.545 33.100 8.629 1.00100.00 H new ATOM 0 HD21 LEU A 49 -11.488 33.241 8.394 1.00100.00 H new ATOM 0 HD22 LEU A 49 -12.444 31.761 8.641 1.00100.00 H new ATOM 0 HD23 LEU A 49 -11.309 31.870 7.274 1.00100.00 H new ATOM 764 N LEU A 50 -14.655 30.302 3.790 1.00100.00 N ATOM 765 CA LEU A 50 -15.570 29.358 3.219 1.00100.00 C ATOM 766 C LEU A 50 -14.964 28.258 2.420 1.00100.00 C ATOM 767 O LEU A 50 -13.912 28.400 1.797 1.00100.00 O ATOM 768 CB LEU A 50 -16.685 30.017 2.378 1.00100.00 C ATOM 769 CG LEU A 50 -17.420 31.104 3.165 1.00100.00 C ATOM 770 CD1 LEU A 50 -18.485 31.732 2.267 1.00100.00 C ATOM 771 CD2 LEU A 50 -18.093 30.523 4.408 1.00100.00 C ATOM 0 H LEU A 50 -14.712 31.230 3.370 1.00100.00 H new ATOM 0 HA LEU A 50 -15.994 28.904 4.115 1.00100.00 H new ATOM 0 HB2 LEU A 50 -16.253 30.450 1.476 1.00100.00 H new ATOM 0 HB3 LEU A 50 -17.396 29.256 2.057 1.00100.00 H new ATOM 0 HG LEU A 50 -16.695 31.854 3.483 1.00100.00 H new ATOM 0 HD11 LEU A 50 -19.015 32.508 2.819 1.00100.00 H new ATOM 0 HD12 LEU A 50 -18.009 32.171 1.390 1.00100.00 H new ATOM 0 HD13 LEU A 50 -19.192 30.965 1.950 1.00100.00 H new ATOM 0 HD21 LEU A 50 -18.608 31.318 4.948 1.00100.00 H new ATOM 0 HD22 LEU A 50 -18.813 29.762 4.109 1.00100.00 H new ATOM 0 HD23 LEU A 50 -17.338 30.075 5.054 1.00100.00 H new HETATM 783 N TPO A 51 -15.663 27.102 2.484 1.00100.00 N HETATM 784 CA TPO A 51 -15.341 25.884 1.791 1.00100.00 C HETATM 785 CB TPO A 51 -16.296 24.770 2.190 1.00100.00 C HETATM 786 CG2 TPO A 51 -16.011 23.501 1.388 1.00100.00 C HETATM 787 OG1 TPO A 51 -16.137 24.496 3.565 1.00100.00 O HETATM 788 P TPO A 51 -17.156 23.332 3.968 1.00100.00 P HETATM 789 O1P TPO A 51 -16.875 22.181 3.211 1.00 0.00 O HETATM 790 O2P TPO A 51 -17.017 23.040 5.336 1.00 0.00 O HETATM 791 O3P TPO A 51 -18.473 23.753 3.710 1.00 0.00 O HETATM 792 C TPO A 51 -15.506 26.167 0.320 1.00100.00 C HETATM 793 O TPO A 51 -16.490 26.787 -0.096 1.00100.00 O HETATM 0 HG23 TPO A 51 -16.135 23.707 0.325 1.00100.00 H new HETATM 0 HG22 TPO A 51 -14.989 23.173 1.577 1.00100.00 H new HETATM 0 HG21 TPO A 51 -16.705 22.717 1.689 1.00100.00 H new HETATM 0 HB TPO A 51 -17.317 25.092 1.984 1.00100.00 H new HETATM 0 HA TPO A 51 -14.328 25.565 2.035 1.00100.00 H new HETATM 0 H TPO A 51 -16.445 27.125 3.138 1.00100.00 H new ATOM 800 N ASP A 52 -14.522 25.704 -0.487 1.00100.00 N ATOM 801 CA ASP A 52 -14.550 25.894 -1.913 1.00100.00 C ATOM 802 C ASP A 52 -15.631 25.008 -2.469 1.00100.00 C ATOM 803 O ASP A 52 -15.748 23.835 -2.101 1.00100.00 O ATOM 804 CB ASP A 52 -13.225 25.519 -2.620 1.00100.00 C ATOM 805 CG ASP A 52 -13.305 25.799 -4.117 1.00100.00 C ATOM 806 OD1 ASP A 52 -12.976 26.944 -4.494 1.00100.00 O ATOM 807 OD2 ASP A 52 -13.693 24.868 -4.855 1.00100.00 O ATOM 0 H ASP A 52 -13.705 25.196 -0.149 1.00100.00 H new ATOM 0 HA ASP A 52 -14.723 26.955 -2.094 1.00100.00 H new ATOM 0 HB2 ASP A 52 -12.403 26.086 -2.184 1.00100.00 H new ATOM 0 HB3 ASP A 52 -13.007 24.464 -2.455 1.00100.00 H new ATOM 812 N GLY A 53 -16.454 25.599 -3.357 1.00100.00 N ATOM 813 CA GLY A 53 -17.535 24.920 -4.006 1.00100.00 C ATOM 814 C GLY A 53 -17.027 24.661 -5.376 1.00100.00 C ATOM 815 O GLY A 53 -16.306 23.684 -5.587 1.00100.00 O ATOM 0 H GLY A 53 -16.365 26.577 -3.631 1.00100.00 H new ATOM 0 HA2 GLY A 53 -17.789 23.993 -3.493 1.00100.00 H new ATOM 0 HA3 GLY A 53 -18.437 25.532 -4.024 1.00100.00 H new ATOM 819 N GLU A 54 -17.424 25.521 -6.344 1.00100.00 N ATOM 820 CA GLU A 54 -16.961 25.364 -7.691 1.00100.00 C ATOM 821 C GLU A 54 -16.208 26.611 -8.040 1.00100.00 C ATOM 822 O GLU A 54 -16.801 27.657 -8.311 1.00100.00 O ATOM 823 CB GLU A 54 -18.083 25.092 -8.724 1.00100.00 C ATOM 824 CG GLU A 54 -18.780 23.775 -8.388 1.00100.00 C ATOM 825 CD GLU A 54 -19.858 23.449 -9.413 1.00100.00 C ATOM 826 OE1 GLU A 54 -20.895 24.146 -9.387 1.00100.00 O ATOM 827 OE2 GLU A 54 -19.624 22.511 -10.204 1.00100.00 O ATOM 0 H GLU A 54 -18.054 26.309 -6.194 1.00100.00 H new ATOM 0 HA GLU A 54 -16.330 24.476 -7.738 1.00100.00 H new ATOM 0 HB2 GLU A 54 -18.804 25.909 -8.716 1.00100.00 H new ATOM 0 HB3 GLU A 54 -17.663 25.047 -9.729 1.00100.00 H new ATOM 0 HG2 GLU A 54 -18.047 22.969 -8.358 1.00100.00 H new ATOM 0 HG3 GLU A 54 -19.225 23.838 -7.395 1.00100.00 H new ATOM 834 N ASP A 55 -14.856 26.493 -8.004 1.00100.00 N ATOM 835 CA ASP A 55 -13.879 27.516 -8.310 1.00100.00 C ATOM 836 C ASP A 55 -14.106 28.801 -7.540 1.00100.00 C ATOM 837 O ASP A 55 -13.936 29.901 -8.073 1.00100.00 O ATOM 838 CB ASP A 55 -13.771 27.806 -9.841 1.00100.00 C ATOM 839 CG ASP A 55 -13.377 26.544 -10.599 1.00100.00 C ATOM 840 OD1 ASP A 55 -12.316 25.981 -10.250 1.00100.00 O ATOM 841 OD2 ASP A 55 -14.143 26.166 -11.511 1.00100.00 O ATOM 0 H ASP A 55 -14.412 25.614 -7.740 1.00100.00 H new ATOM 0 HA ASP A 55 -12.925 27.103 -7.981 1.00100.00 H new ATOM 0 HB2 ASP A 55 -14.725 28.178 -10.214 1.00100.00 H new ATOM 0 HB3 ASP A 55 -13.033 28.588 -10.017 1.00100.00 H new ATOM 846 N ASP A 56 -14.501 28.677 -6.249 1.00100.00 N ATOM 847 CA ASP A 56 -14.759 29.805 -5.387 1.00100.00 C ATOM 848 C ASP A 56 -13.504 30.580 -5.104 1.00100.00 C ATOM 849 O ASP A 56 -13.518 31.812 -5.107 1.00100.00 O ATOM 850 CB ASP A 56 -15.408 29.406 -4.041 1.00100.00 C ATOM 851 CG ASP A 56 -16.809 28.834 -4.224 1.00100.00 C ATOM 852 OD1 ASP A 56 -17.328 28.918 -5.359 1.00100.00 O ATOM 853 OD2 ASP A 56 -17.345 28.329 -3.214 1.00100.00 O ATOM 0 H ASP A 56 -14.644 27.775 -5.795 1.00100.00 H new ATOM 0 HA ASP A 56 -15.466 30.428 -5.935 1.00100.00 H new ATOM 0 HB2 ASP A 56 -14.779 28.669 -3.541 1.00100.00 H new ATOM 0 HB3 ASP A 56 -15.456 30.279 -3.390 1.00100.00 H new ATOM 858 N VAL A 57 -12.387 29.852 -4.869 1.00100.00 N ATOM 859 CA VAL A 57 -11.110 30.435 -4.574 1.00100.00 C ATOM 860 C VAL A 57 -10.517 31.049 -5.818 1.00100.00 C ATOM 861 O VAL A 57 -10.736 30.575 -6.938 1.00100.00 O ATOM 862 CB VAL A 57 -10.175 29.458 -3.869 1.00100.00 C ATOM 863 CG1 VAL A 57 -9.675 28.384 -4.836 1.00100.00 C ATOM 864 CG2 VAL A 57 -8.994 30.187 -3.228 1.00100.00 C ATOM 0 H VAL A 57 -12.375 28.832 -4.885 1.00100.00 H new ATOM 0 HA VAL A 57 -11.256 31.243 -3.857 1.00100.00 H new ATOM 0 HB VAL A 57 -10.745 28.971 -3.078 1.00100.00 H new ATOM 0 HG11 VAL A 57 -9.010 27.700 -4.308 1.00100.00 H new ATOM 0 HG12 VAL A 57 -10.524 27.829 -5.234 1.00100.00 H new ATOM 0 HG13 VAL A 57 -9.133 28.856 -5.656 1.00100.00 H new ATOM 0 HG21 VAL A 57 -8.345 29.464 -2.733 1.00100.00 H new ATOM 0 HG22 VAL A 57 -8.430 30.713 -3.998 1.00100.00 H new ATOM 0 HG23 VAL A 57 -9.364 30.904 -2.495 1.00100.00 H new ATOM 874 N PHE A 58 -9.761 32.151 -5.606 1.00100.00 N ATOM 875 CA PHE A 58 -9.082 32.938 -6.603 1.00100.00 C ATOM 876 C PHE A 58 -10.008 33.388 -7.696 1.00100.00 C ATOM 877 O PHE A 58 -9.730 33.234 -8.888 1.00100.00 O ATOM 878 CB PHE A 58 -7.791 32.295 -7.180 1.00100.00 C ATOM 879 CG PHE A 58 -6.810 31.886 -6.105 1.00100.00 C ATOM 880 CD1 PHE A 58 -6.198 32.863 -5.309 1.00100.00 C ATOM 881 CD2 PHE A 58 -6.526 30.529 -5.891 1.00100.00 C ATOM 882 CE1 PHE A 58 -5.294 32.487 -4.307 1.00100.00 C ATOM 883 CE2 PHE A 58 -5.626 30.152 -4.884 1.00100.00 C ATOM 884 CZ PHE A 58 -5.009 31.132 -4.094 1.00100.00 C ATOM 0 H PHE A 58 -9.614 32.519 -4.666 1.00100.00 H new ATOM 0 HA PHE A 58 -8.739 33.819 -6.060 1.00100.00 H new ATOM 0 HB2 PHE A 58 -8.060 31.420 -7.772 1.00100.00 H new ATOM 0 HB3 PHE A 58 -7.309 33.002 -7.856 1.00100.00 H new ATOM 0 HD1 PHE A 58 -6.423 33.907 -5.468 1.00100.00 H new ATOM 0 HD2 PHE A 58 -7.000 29.775 -6.502 1.00100.00 H new ATOM 0 HE1 PHE A 58 -4.817 33.241 -3.699 1.00100.00 H new ATOM 0 HE2 PHE A 58 -5.408 29.107 -4.717 1.00100.00 H new ATOM 0 HZ PHE A 58 -4.313 30.842 -3.320 1.00100.00 H new ATOM 894 N ASP A 59 -11.172 33.944 -7.275 1.00100.00 N ATOM 895 CA ASP A 59 -12.171 34.462 -8.177 1.00100.00 C ATOM 896 C ASP A 59 -11.567 35.601 -8.995 1.00100.00 C ATOM 897 O ASP A 59 -11.781 35.585 -10.210 1.00100.00 O ATOM 898 CB ASP A 59 -13.487 34.870 -7.457 1.00100.00 C ATOM 899 CG ASP A 59 -14.517 35.361 -8.466 1.00100.00 C ATOM 900 OD1 ASP A 59 -15.157 34.490 -9.091 1.00100.00 O ATOM 901 OD2 ASP A 59 -14.639 36.599 -8.597 1.00100.00 O ATOM 0 H ASP A 59 -11.423 34.035 -6.290 1.00100.00 H new ATOM 0 HA ASP A 59 -12.468 33.664 -8.857 1.00100.00 H new ATOM 0 HB2 ASP A 59 -13.886 34.018 -6.906 1.00100.00 H new ATOM 0 HB3 ASP A 59 -13.282 35.653 -6.728 1.00100.00 H new ATOM 906 N PRO A 60 -10.787 36.586 -8.413 1.00100.00 N ATOM 907 CA PRO A 60 -10.163 37.635 -9.196 1.00100.00 C ATOM 908 C PRO A 60 -9.091 37.033 -10.069 1.00100.00 C ATOM 909 O PRO A 60 -8.504 36.016 -9.687 1.00100.00 O ATOM 910 CB PRO A 60 -9.574 38.639 -8.208 1.00100.00 C ATOM 911 CG PRO A 60 -10.285 38.308 -6.894 1.00100.00 C ATOM 912 CD PRO A 60 -10.571 36.810 -7.001 1.00100.00 C ATOM 0 HA PRO A 60 -10.879 38.134 -9.849 1.00100.00 H new ATOM 0 HB2 PRO A 60 -8.493 38.527 -8.119 1.00100.00 H new ATOM 0 HB3 PRO A 60 -9.764 39.666 -8.519 1.00100.00 H new ATOM 0 HG2 PRO A 60 -9.658 38.535 -6.032 1.00100.00 H new ATOM 0 HG3 PRO A 60 -11.204 38.883 -6.780 1.00100.00 H new ATOM 0 HD2 PRO A 60 -9.735 36.218 -6.628 1.00100.00 H new ATOM 0 HD3 PRO A 60 -11.447 36.530 -6.416 1.00100.00 H new ATOM 920 N ASP A 61 -8.823 37.658 -11.236 1.00100.00 N ATOM 921 CA ASP A 61 -7.839 37.172 -12.168 1.00100.00 C ATOM 922 C ASP A 61 -6.456 37.292 -11.583 1.00100.00 C ATOM 923 O ASP A 61 -6.092 38.326 -11.017 1.00100.00 O ATOM 924 CB ASP A 61 -7.893 37.928 -13.522 1.00100.00 C ATOM 925 CG ASP A 61 -6.873 37.348 -14.495 1.00100.00 C ATOM 926 OD1 ASP A 61 -7.178 36.281 -15.070 1.00100.00 O ATOM 927 OD2 ASP A 61 -5.802 37.976 -14.639 1.00100.00 O ATOM 0 H ASP A 61 -9.294 38.511 -11.538 1.00100.00 H new ATOM 0 HA ASP A 61 -8.071 36.124 -12.357 1.00100.00 H new ATOM 0 HB2 ASP A 61 -8.894 37.854 -13.947 1.00100.00 H new ATOM 0 HB3 ASP A 61 -7.692 38.987 -13.363 1.00100.00 H new ATOM 932 N LEU A 62 -5.685 36.188 -11.693 1.00100.00 N ATOM 933 CA LEU A 62 -4.332 36.132 -11.209 1.00100.00 C ATOM 934 C LEU A 62 -3.454 35.961 -12.411 1.00100.00 C ATOM 935 O LEU A 62 -2.543 36.759 -12.635 1.00100.00 O ATOM 936 CB LEU A 62 -3.983 34.910 -10.329 1.00100.00 C ATOM 937 CG LEU A 62 -4.868 34.783 -9.090 1.00100.00 C ATOM 938 CD1 LEU A 62 -4.440 33.519 -8.345 1.00100.00 C ATOM 939 CD2 LEU A 62 -4.716 35.991 -8.169 1.00100.00 C ATOM 0 H LEU A 62 -6.005 35.321 -12.124 1.00100.00 H new ATOM 0 HA LEU A 62 -4.197 37.036 -10.615 1.00100.00 H new ATOM 0 HB2 LEU A 62 -4.075 34.003 -10.927 1.00100.00 H new ATOM 0 HB3 LEU A 62 -2.941 34.982 -10.017 1.00100.00 H new ATOM 0 HG LEU A 62 -5.913 34.731 -9.395 1.00100.00 H new ATOM 0 HD11 LEU A 62 -5.053 33.398 -7.452 1.00100.00 H new ATOM 0 HD12 LEU A 62 -4.569 32.653 -8.994 1.00100.00 H new ATOM 0 HD13 LEU A 62 -3.392 33.604 -8.057 1.00100.00 H new ATOM 0 HD21 LEU A 62 -5.359 35.868 -7.298 1.00100.00 H new ATOM 0 HD22 LEU A 62 -3.679 36.073 -7.845 1.00100.00 H new ATOM 0 HD23 LEU A 62 -5.001 36.896 -8.706 1.00100.00 H new ATOM 951 N ASP A 63 -3.733 34.908 -13.217 1.00100.00 N ATOM 952 CA ASP A 63 -2.968 34.596 -14.392 1.00100.00 C ATOM 953 C ASP A 63 -3.942 34.386 -15.519 1.00100.00 C ATOM 954 O ASP A 63 -5.104 34.035 -15.303 1.00100.00 O ATOM 955 CB ASP A 63 -2.119 33.307 -14.209 1.00100.00 C ATOM 956 CG ASP A 63 -1.195 33.088 -15.398 1.00100.00 C ATOM 957 OD1 ASP A 63 -0.277 33.919 -15.563 1.00100.00 O ATOM 958 OD2 ASP A 63 -1.424 32.095 -16.121 1.00100.00 O ATOM 0 H ASP A 63 -4.505 34.263 -13.047 1.00100.00 H new ATOM 0 HA ASP A 63 -2.278 35.415 -14.595 1.00100.00 H new ATOM 0 HB2 ASP A 63 -1.530 33.382 -13.295 1.00100.00 H new ATOM 0 HB3 ASP A 63 -2.778 32.447 -14.093 1.00100.00 H new ATOM 963 N MET A 64 -3.465 34.635 -16.763 1.00100.00 N ATOM 964 CA MET A 64 -4.233 34.487 -17.976 1.00100.00 C ATOM 965 C MET A 64 -4.644 33.054 -18.192 1.00100.00 C ATOM 966 O MET A 64 -5.811 32.782 -18.481 1.00100.00 O ATOM 967 CB MET A 64 -3.463 34.945 -19.229 1.00100.00 C ATOM 968 CG MET A 64 -3.088 36.420 -19.101 1.00100.00 C ATOM 969 SD MET A 64 -2.144 37.070 -20.503 1.00100.00 S ATOM 970 CE MET A 64 -3.379 36.868 -21.813 1.00100.00 C ATOM 0 H MET A 64 -2.510 34.951 -16.931 1.00100.00 H new ATOM 0 HA MET A 64 -5.108 35.123 -17.842 1.00100.00 H new ATOM 0 HB2 MET A 64 -2.564 34.342 -19.354 1.00100.00 H new ATOM 0 HB3 MET A 64 -4.075 34.793 -20.118 1.00100.00 H new ATOM 0 HG2 MET A 64 -4.000 37.007 -18.988 1.00100.00 H new ATOM 0 HG3 MET A 64 -2.505 36.558 -18.190 1.00100.00 H new ATOM 0 HE1 MET A 64 -3.101 37.479 -22.672 1.00100.00 H new ATOM 0 HE2 MET A 64 -3.424 35.821 -22.112 1.00100.00 H new ATOM 0 HE3 MET A 64 -4.355 37.183 -21.444 1.00100.00 H new ATOM 980 N GLU A 65 -3.715 32.102 -17.938 1.00100.00 N ATOM 981 CA GLU A 65 -3.985 30.699 -18.100 1.00100.00 C ATOM 982 C GLU A 65 -4.671 30.251 -16.847 1.00100.00 C ATOM 983 O GLU A 65 -4.213 30.540 -15.735 1.00100.00 O ATOM 984 CB GLU A 65 -2.713 29.855 -18.329 1.00100.00 C ATOM 985 CG GLU A 65 -3.090 28.395 -18.587 1.00100.00 C ATOM 986 CD GLU A 65 -1.860 27.512 -18.766 1.00100.00 C ATOM 987 OE1 GLU A 65 -0.757 28.081 -18.924 1.00100.00 O ATOM 988 OE2 GLU A 65 -2.047 26.277 -18.743 1.00100.00 O ATOM 0 H GLU A 65 -2.769 32.309 -17.618 1.00100.00 H new ATOM 0 HA GLU A 65 -4.599 30.555 -18.989 1.00100.00 H new ATOM 0 HB2 GLU A 65 -2.153 30.249 -19.177 1.00100.00 H new ATOM 0 HB3 GLU A 65 -2.061 29.922 -17.458 1.00100.00 H new ATOM 0 HG2 GLU A 65 -3.686 28.022 -17.755 1.00100.00 H new ATOM 0 HG3 GLU A 65 -3.714 28.333 -19.479 1.00100.00 H new ATOM 995 N VAL A 66 -5.814 29.549 -17.020 1.00100.00 N ATOM 996 CA VAL A 66 -6.565 29.082 -15.891 1.00100.00 C ATOM 997 C VAL A 66 -6.164 27.665 -15.608 1.00100.00 C ATOM 998 O VAL A 66 -6.452 26.732 -16.362 1.00100.00 O ATOM 999 CB VAL A 66 -8.079 29.199 -16.043 1.00100.00 C ATOM 1000 CG1 VAL A 66 -8.772 28.712 -14.770 1.00100.00 C ATOM 1001 CG2 VAL A 66 -8.453 30.660 -16.295 1.00100.00 C ATOM 0 H VAL A 66 -6.211 29.309 -17.928 1.00100.00 H new ATOM 0 HA VAL A 66 -6.323 29.734 -15.052 1.00100.00 H new ATOM 0 HB VAL A 66 -8.401 28.585 -16.884 1.00100.00 H new ATOM 0 HG11 VAL A 66 -9.852 28.799 -14.888 1.00100.00 H new ATOM 0 HG12 VAL A 66 -8.510 27.670 -14.589 1.00100.00 H new ATOM 0 HG13 VAL A 66 -8.449 29.320 -13.925 1.00100.00 H new ATOM 0 HG21 VAL A 66 -9.534 30.745 -16.404 1.00100.00 H new ATOM 0 HG22 VAL A 66 -8.124 31.270 -15.454 1.00100.00 H new ATOM 0 HG23 VAL A 66 -7.968 31.008 -17.207 1.00100.00 H new ATOM 1011 N VAL A 67 -5.434 27.533 -14.484 1.00100.00 N ATOM 1012 CA VAL A 67 -4.951 26.293 -13.934 1.00100.00 C ATOM 1013 C VAL A 67 -5.445 26.423 -12.514 1.00100.00 C ATOM 1014 O VAL A 67 -5.308 27.489 -11.905 1.00100.00 O ATOM 1015 CB VAL A 67 -3.432 26.147 -13.907 1.00100.00 C ATOM 1016 CG1 VAL A 67 -3.038 24.793 -13.321 1.00100.00 C ATOM 1017 CG2 VAL A 67 -2.883 26.267 -15.328 1.00100.00 C ATOM 0 H VAL A 67 -5.162 28.340 -13.922 1.00100.00 H new ATOM 0 HA VAL A 67 -5.286 25.434 -14.516 1.00100.00 H new ATOM 0 HB VAL A 67 -3.013 26.936 -13.282 1.00100.00 H new ATOM 0 HG11 VAL A 67 -1.952 24.704 -13.309 1.00100.00 H new ATOM 0 HG12 VAL A 67 -3.420 24.712 -12.304 1.00100.00 H new ATOM 0 HG13 VAL A 67 -3.460 23.995 -13.932 1.00100.00 H new ATOM 0 HG21 VAL A 67 -1.798 26.163 -15.309 1.00100.00 H new ATOM 0 HG22 VAL A 67 -3.312 25.482 -15.951 1.00100.00 H new ATOM 0 HG23 VAL A 67 -3.147 27.242 -15.739 1.00100.00 H new ATOM 1027 N PHE A 68 -6.070 25.357 -11.957 1.00100.00 N ATOM 1028 CA PHE A 68 -6.570 25.408 -10.603 1.00100.00 C ATOM 1029 C PHE A 68 -5.387 25.558 -9.662 1.00100.00 C ATOM 1030 O PHE A 68 -5.451 26.348 -8.719 1.00100.00 O ATOM 1031 CB PHE A 68 -7.440 24.184 -10.225 1.00100.00 C ATOM 1032 CG PHE A 68 -8.161 24.373 -8.909 1.00100.00 C ATOM 1033 CD1 PHE A 68 -9.331 25.143 -8.860 1.00100.00 C ATOM 1034 CD2 PHE A 68 -7.652 23.801 -7.735 1.00100.00 C ATOM 1035 CE1 PHE A 68 -9.994 25.339 -7.641 1.00100.00 C ATOM 1036 CE2 PHE A 68 -8.319 23.991 -6.517 1.00100.00 C ATOM 1037 CZ PHE A 68 -9.488 24.763 -6.469 1.00100.00 C ATOM 0 H PHE A 68 -6.228 24.470 -12.436 1.00100.00 H new ATOM 0 HA PHE A 68 -7.235 26.267 -10.516 1.00100.00 H new ATOM 0 HB2 PHE A 68 -8.170 24.004 -11.014 1.00100.00 H new ATOM 0 HB3 PHE A 68 -6.809 23.297 -10.166 1.00100.00 H new ATOM 0 HD1 PHE A 68 -9.723 25.586 -9.764 1.00100.00 H new ATOM 0 HD2 PHE A 68 -6.746 23.214 -7.769 1.00100.00 H new ATOM 0 HE1 PHE A 68 -10.895 25.934 -7.605 1.00100.00 H new ATOM 0 HE2 PHE A 68 -7.932 23.542 -5.614 1.00100.00 H new ATOM 0 HZ PHE A 68 -9.998 24.913 -5.529 1.00100.00 H new ATOM 1047 N GLU A 69 -4.277 24.824 -9.933 1.00100.00 N ATOM 1048 CA GLU A 69 -3.091 24.899 -9.121 1.00100.00 C ATOM 1049 C GLU A 69 -2.241 26.033 -9.621 1.00100.00 C ATOM 1050 O GLU A 69 -1.383 25.870 -10.495 1.00100.00 O ATOM 1051 CB GLU A 69 -2.232 23.616 -9.131 1.00100.00 C ATOM 1052 CG GLU A 69 -2.989 22.437 -8.527 1.00100.00 C ATOM 1053 CD GLU A 69 -2.143 21.166 -8.519 1.00100.00 C ATOM 1054 OE1 GLU A 69 -0.920 21.285 -8.753 1.00100.00 O ATOM 1055 OE2 GLU A 69 -2.737 20.095 -8.274 1.00100.00 O ATOM 0 H GLU A 69 -4.205 24.177 -10.718 1.00100.00 H new ATOM 0 HA GLU A 69 -3.429 25.045 -8.095 1.00100.00 H new ATOM 0 HB2 GLU A 69 -1.941 23.378 -10.154 1.00100.00 H new ATOM 0 HB3 GLU A 69 -1.313 23.787 -8.570 1.00100.00 H new ATOM 0 HG2 GLU A 69 -3.289 22.681 -7.508 1.00100.00 H new ATOM 0 HG3 GLU A 69 -3.903 22.262 -9.095 1.00100.00 H new ATOM 1062 N THR A 70 -2.510 27.234 -9.078 1.00100.00 N ATOM 1063 CA THR A 70 -1.780 28.425 -9.412 1.00100.00 C ATOM 1064 C THR A 70 -1.243 28.914 -8.099 1.00100.00 C ATOM 1065 O THR A 70 -1.948 28.948 -7.085 1.00100.00 O ATOM 1066 CB THR A 70 -2.606 29.522 -10.066 1.00100.00 C ATOM 1067 OG1 THR A 70 -3.085 29.054 -11.307 1.00100.00 O ATOM 1068 CG2 THR A 70 -1.767 30.780 -10.298 1.00100.00 C ATOM 0 H THR A 70 -3.250 27.384 -8.392 1.00100.00 H new ATOM 0 HA THR A 70 -1.019 28.186 -10.155 1.00100.00 H new ATOM 0 HB THR A 70 -3.434 29.776 -9.404 1.00100.00 H new ATOM 0 HG1 THR A 70 -3.896 28.523 -11.165 1.00100.00 H new ATOM 0 HG21 THR A 70 -2.383 31.547 -10.767 1.00100.00 H new ATOM 0 HG22 THR A 70 -1.392 31.149 -9.343 1.00100.00 H new ATOM 0 HG23 THR A 70 -0.927 30.542 -10.950 1.00100.00 H new ATOM 1076 N GLN A 71 0.061 29.250 -8.098 1.00100.00 N ATOM 1077 CA GLN A 71 0.724 29.749 -6.929 1.00100.00 C ATOM 1078 C GLN A 71 1.208 31.160 -7.272 1.00100.00 C ATOM 1079 O GLN A 71 1.641 31.402 -8.433 1.00100.00 O ATOM 1080 CB GLN A 71 1.941 28.902 -6.487 1.00100.00 C ATOM 1081 CG GLN A 71 1.526 27.450 -6.250 1.00100.00 C ATOM 1082 CD GLN A 71 0.436 27.344 -5.190 1.00100.00 C ATOM 1083 OE1 GLN A 71 0.583 27.871 -4.090 1.00100.00 O ATOM 1084 NE2 GLN A 71 -0.660 26.657 -5.523 1.00100.00 N ATOM 1085 OXT GLN A 71 1.147 32.017 -6.365 1.00100.00 O ATOM 0 H GLN A 71 0.663 29.175 -8.918 1.00100.00 H new ATOM 0 HA GLN A 71 0.019 29.720 -6.099 1.00100.00 H new ATOM 0 HB2 GLN A 71 2.717 28.944 -7.251 1.00100.00 H new ATOM 0 HB3 GLN A 71 2.369 29.318 -5.575 1.00100.00 H new ATOM 0 HG2 GLN A 71 1.169 27.016 -7.184 1.00100.00 H new ATOM 0 HG3 GLN A 71 2.394 26.869 -5.939 1.00100.00 H new ATOM 0 HE21 GLN A 71 -0.737 26.237 -6.449 1.00100.00 H new ATOM 0 HE22 GLN A 71 -1.420 26.553 -4.851 1.00100.00 H new TER 1094 GLN A 71 HETATM 1095 ZN ZN A 101 -10.467 19.133 -2.043 1.00 73.25 ZN