USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, 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= -0.293 K(o=-3.7,f=-5.5) 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 1.4: A 30 GLN :FLIP amide:sc= -0.265! F(o=-4.6,f=-3.7!) USER MOD Set 1.5: A 33 ASN : amide:sc= -3.15! C(o=-3.7!,f=-5.3!) USER MOD Single : A 1 GLY N :NH3+ 152:sc= 0.781 (180deg=0.369) USER MOD Single : A 2 SER OG : rot -153:sc= 0.552 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 139:sc= -0.359 (180deg=-0.798) USER MOD Single : A 7 THR OG1 : rot 156:sc= 0.206 USER MOD Single : A 8 THR OG1 : rot 80:sc= 0.811 USER MOD Single : A 9 MET CE :methyl -160:sc= -0.0722 (180deg=-1.01) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 CYS SG : rot 65:sc= 0.778 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot 74:sc= -1.13 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 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 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -167:sc= -0.0531 (180deg=-0.333) USER MOD Single : A 70 THR OG1 : rot 89:sc= 0.83 USER MOD Single : A 71 GLN : amide:sc= -1.1 X(o=-1.1,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.994 10.881 4.185 1.00100.00 N ATOM 2 CA GLY A 1 -20.751 10.124 3.933 1.00100.00 C ATOM 3 C GLY A 1 -19.834 10.971 3.120 1.00100.00 C ATOM 4 O GLY A 1 -19.982 11.037 1.898 1.00100.00 O ATOM 0 H1 GLY A 1 -22.786 10.218 4.307 1.00100.00 H new ATOM 0 H2 GLY A 1 -21.884 11.452 5.047 1.00100.00 H new ATOM 0 H3 GLY A 1 -22.189 11.507 3.378 1.00100.00 H new ATOM 0 HA2 GLY A 1 -20.277 9.851 4.876 1.00100.00 H new ATOM 0 HA3 GLY A 1 -20.974 9.195 3.407 1.00100.00 H new ATOM 10 N SER A 2 -18.719 11.398 3.765 1.00100.00 N ATOM 11 CA SER A 2 -17.695 12.241 3.190 1.00100.00 C ATOM 12 C SER A 2 -18.282 13.512 2.612 1.00100.00 C ATOM 13 O SER A 2 -18.045 13.852 1.453 1.00100.00 O ATOM 14 CB SER A 2 -16.795 11.493 2.161 1.00100.00 C ATOM 15 OG SER A 2 -15.681 12.292 1.830 1.00100.00 O ATOM 0 H SER A 2 -18.522 11.144 4.733 1.00100.00 H new ATOM 0 HA SER A 2 -17.035 12.526 4.010 1.00100.00 H new ATOM 0 HB2 SER A 2 -16.461 10.543 2.579 1.00100.00 H new ATOM 0 HB3 SER A 2 -17.368 11.262 1.263 1.00100.00 H new ATOM 0 HG SER A 2 -15.373 12.066 0.928 1.00100.00 H new ATOM 21 N THR A 3 -19.092 14.231 3.443 1.00100.00 N ATOM 22 CA THR A 3 -19.800 15.468 3.149 1.00100.00 C ATOM 23 C THR A 3 -20.981 15.193 2.250 1.00100.00 C ATOM 24 O THR A 3 -22.113 15.529 2.603 1.00100.00 O ATOM 25 CB THR A 3 -18.918 16.589 2.603 1.00100.00 C ATOM 26 OG1 THR A 3 -17.867 16.839 3.509 1.00100.00 O ATOM 27 CG2 THR A 3 -19.732 17.868 2.413 1.00100.00 C ATOM 0 H THR A 3 -19.265 13.921 4.399 1.00100.00 H new ATOM 0 HA THR A 3 -20.159 15.848 4.106 1.00100.00 H new ATOM 0 HB THR A 3 -18.516 16.280 1.638 1.00100.00 H new ATOM 0 HG1 THR A 3 -17.298 17.557 3.160 1.00100.00 H new ATOM 0 HG21 THR A 3 -19.087 18.655 2.023 1.00100.00 H new ATOM 0 HG22 THR A 3 -20.543 17.682 1.709 1.00100.00 H new ATOM 0 HG23 THR A 3 -20.148 18.180 3.371 1.00100.00 H new ATOM 35 N ALA A 4 -20.746 14.536 1.092 1.00100.00 N ATOM 36 CA ALA A 4 -21.754 14.173 0.133 1.00100.00 C ATOM 37 C ALA A 4 -22.581 13.052 0.690 1.00100.00 C ATOM 38 O ALA A 4 -22.259 12.461 1.722 1.00100.00 O ATOM 39 CB ALA A 4 -21.165 13.695 -1.207 1.00100.00 C ATOM 0 H ALA A 4 -19.810 14.245 0.812 1.00100.00 H new ATOM 0 HA ALA A 4 -22.346 15.069 -0.054 1.00100.00 H new ATOM 0 HB1 ALA A 4 -21.975 13.436 -1.889 1.00100.00 H new ATOM 0 HB2 ALA A 4 -20.563 14.492 -1.645 1.00100.00 H new ATOM 0 HB3 ALA A 4 -20.539 12.819 -1.037 1.00100.00 H new ATOM 45 N MET A 5 -23.724 12.767 0.036 1.00100.00 N ATOM 46 CA MET A 5 -24.600 11.717 0.468 1.00100.00 C ATOM 47 C MET A 5 -24.075 10.436 -0.127 1.00100.00 C ATOM 48 O MET A 5 -24.307 10.199 -1.312 1.00100.00 O ATOM 49 CB MET A 5 -26.054 11.919 -0.014 1.00100.00 C ATOM 50 CG MET A 5 -26.699 13.145 0.637 1.00100.00 C ATOM 51 SD MET A 5 -25.948 14.745 0.235 1.00100.00 S ATOM 52 CE MET A 5 -26.106 14.714 -1.569 1.00100.00 C ATOM 0 H MET A 5 -24.043 13.265 -0.795 1.00100.00 H new ATOM 0 HA MET A 5 -24.620 11.703 1.558 1.00100.00 H new ATOM 0 HB2 MET A 5 -26.066 12.034 -1.098 1.00100.00 H new ATOM 0 HB3 MET A 5 -26.642 11.031 0.219 1.00100.00 H new ATOM 0 HG2 MET A 5 -27.749 13.176 0.347 1.00100.00 H new ATOM 0 HG3 MET A 5 -26.671 13.014 1.719 1.00100.00 H new ATOM 0 HE1 MET A 5 -26.404 15.700 -1.925 1.00100.00 H new ATOM 0 HE2 MET A 5 -25.149 14.442 -2.013 1.00100.00 H new ATOM 0 HE3 MET A 5 -26.861 13.981 -1.856 1.00100.00 H new ATOM 62 N ALA A 6 -22.961 9.951 0.485 1.00100.00 N ATOM 63 CA ALA A 6 -22.234 8.743 0.164 1.00100.00 C ATOM 64 C ALA A 6 -21.851 8.622 -1.295 1.00100.00 C ATOM 65 O ALA A 6 -21.921 7.548 -1.898 1.00100.00 O ATOM 66 CB ALA A 6 -22.960 7.471 0.663 1.00100.00 C ATOM 0 H ALA A 6 -22.536 10.447 1.269 1.00100.00 H new ATOM 0 HA ALA A 6 -21.296 8.830 0.712 1.00100.00 H new ATOM 0 HB1 ALA A 6 -22.375 6.590 0.398 1.00100.00 H new ATOM 0 HB2 ALA A 6 -23.074 7.518 1.746 1.00100.00 H new ATOM 0 HB3 ALA A 6 -23.943 7.407 0.197 1.00100.00 H new ATOM 72 N THR A 7 -21.440 9.774 -1.879 1.00100.00 N ATOM 73 CA THR A 7 -21.012 9.963 -3.247 1.00100.00 C ATOM 74 C THR A 7 -21.973 9.480 -4.316 1.00100.00 C ATOM 75 O THR A 7 -21.572 8.994 -5.376 1.00100.00 O ATOM 76 CB THR A 7 -19.586 9.514 -3.512 1.00100.00 C ATOM 77 OG1 THR A 7 -19.426 8.141 -3.230 1.00100.00 O ATOM 78 CG2 THR A 7 -18.690 10.353 -2.598 1.00100.00 C ATOM 0 H THR A 7 -21.404 10.646 -1.350 1.00100.00 H new ATOM 0 HA THR A 7 -21.026 11.049 -3.344 1.00100.00 H new ATOM 0 HB THR A 7 -19.326 9.654 -4.561 1.00100.00 H new ATOM 0 HG1 THR A 7 -18.673 7.787 -3.747 1.00100.00 H new ATOM 0 HG21 THR A 7 -17.649 10.069 -2.749 1.00100.00 H new ATOM 0 HG22 THR A 7 -18.816 11.409 -2.835 1.00100.00 H new ATOM 0 HG23 THR A 7 -18.966 10.179 -1.558 1.00100.00 H new ATOM 86 N THR A 8 -23.286 9.649 -4.053 1.00100.00 N ATOM 87 CA THR A 8 -24.363 9.275 -4.938 1.00100.00 C ATOM 88 C THR A 8 -24.369 10.104 -6.207 1.00100.00 C ATOM 89 O THR A 8 -24.569 9.559 -7.294 1.00100.00 O ATOM 90 CB THR A 8 -25.715 9.362 -4.243 1.00100.00 C ATOM 91 OG1 THR A 8 -25.715 8.504 -3.124 1.00100.00 O ATOM 92 CG2 THR A 8 -26.840 8.942 -5.188 1.00100.00 C ATOM 0 H THR A 8 -23.617 10.066 -3.183 1.00100.00 H new ATOM 0 HA THR A 8 -24.188 8.236 -5.218 1.00100.00 H new ATOM 0 HB THR A 8 -25.881 10.394 -3.934 1.00100.00 H new ATOM 0 HG1 THR A 8 -25.253 8.940 -2.378 1.00100.00 H new ATOM 0 HG21 THR A 8 -27.796 9.012 -4.669 1.00100.00 H new ATOM 0 HG22 THR A 8 -26.850 9.600 -6.057 1.00100.00 H new ATOM 0 HG23 THR A 8 -26.678 7.914 -5.512 1.00100.00 H new ATOM 100 N MET A 9 -24.072 11.422 -6.085 1.00100.00 N ATOM 101 CA MET A 9 -24.113 12.377 -7.168 1.00100.00 C ATOM 102 C MET A 9 -23.206 12.041 -8.329 1.00100.00 C ATOM 103 O MET A 9 -23.685 12.032 -9.464 1.00100.00 O ATOM 104 CB MET A 9 -23.806 13.793 -6.629 1.00100.00 C ATOM 105 CG MET A 9 -24.031 14.871 -7.687 1.00100.00 C ATOM 106 SD MET A 9 -25.763 15.166 -8.123 1.00100.00 S ATOM 107 CE MET A 9 -25.824 14.301 -9.711 1.00100.00 C ATOM 0 H MET A 9 -23.792 11.839 -5.197 1.00100.00 H new ATOM 0 HA MET A 9 -25.125 12.337 -7.572 1.00100.00 H new ATOM 0 HB2 MET A 9 -24.438 13.996 -5.765 1.00100.00 H new ATOM 0 HB3 MET A 9 -22.773 13.833 -6.285 1.00100.00 H new ATOM 0 HG2 MET A 9 -23.598 15.805 -7.330 1.00100.00 H new ATOM 0 HG3 MET A 9 -23.487 14.592 -8.590 1.00100.00 H new ATOM 0 HE1 MET A 9 -26.675 14.661 -10.289 1.00100.00 H new ATOM 0 HE2 MET A 9 -24.904 14.491 -10.264 1.00100.00 H new ATOM 0 HE3 MET A 9 -25.929 13.230 -9.538 1.00100.00 H new ATOM 117 N GLU A 10 -21.940 11.626 -8.066 1.00100.00 N ATOM 118 CA GLU A 10 -20.972 11.229 -9.075 1.00100.00 C ATOM 119 C GLU A 10 -20.696 12.249 -10.169 1.00100.00 C ATOM 120 O GLU A 10 -20.476 11.879 -11.328 1.00100.00 O ATOM 121 CB GLU A 10 -21.344 9.872 -9.749 1.00100.00 C ATOM 122 CG GLU A 10 -21.431 8.769 -8.695 1.00100.00 C ATOM 123 CD GLU A 10 -21.714 7.415 -9.335 1.00100.00 C ATOM 124 OE1 GLU A 10 -22.575 7.379 -10.240 1.00100.00 O ATOM 125 OE2 GLU A 10 -21.063 6.439 -8.903 1.00100.00 O ATOM 0 H GLU A 10 -21.573 11.563 -7.117 1.00100.00 H new ATOM 0 HA GLU A 10 -20.054 11.135 -8.495 1.00100.00 H new ATOM 0 HB2 GLU A 10 -22.297 9.965 -10.269 1.00100.00 H new ATOM 0 HB3 GLU A 10 -20.596 9.612 -10.498 1.00100.00 H new ATOM 0 HG2 GLU A 10 -20.496 8.722 -8.137 1.00100.00 H new ATOM 0 HG3 GLU A 10 -22.218 9.007 -7.980 1.00100.00 H new ATOM 132 N GLN A 11 -20.661 13.562 -9.836 1.00100.00 N ATOM 133 CA GLN A 11 -20.390 14.552 -10.858 1.00100.00 C ATOM 134 C GLN A 11 -19.024 15.180 -10.690 1.00100.00 C ATOM 135 O GLN A 11 -18.752 16.243 -11.251 1.00100.00 O ATOM 136 CB GLN A 11 -21.470 15.657 -11.034 1.00100.00 C ATOM 137 CG GLN A 11 -21.638 16.507 -9.782 1.00100.00 C ATOM 138 CD GLN A 11 -22.725 17.561 -9.955 1.00100.00 C ATOM 139 OE1 GLN A 11 -23.212 17.791 -11.061 1.00100.00 O ATOM 140 NE2 GLN A 11 -23.104 18.207 -8.850 1.00100.00 N ATOM 0 H GLN A 11 -20.813 13.932 -8.898 1.00100.00 H new ATOM 0 HA GLN A 11 -20.418 13.972 -11.781 1.00100.00 H new ATOM 0 HB2 GLN A 11 -21.197 16.299 -11.872 1.00100.00 H new ATOM 0 HB3 GLN A 11 -22.424 15.193 -11.286 1.00100.00 H new ATOM 0 HG2 GLN A 11 -21.886 15.865 -8.937 1.00100.00 H new ATOM 0 HG3 GLN A 11 -20.693 16.995 -9.545 1.00100.00 H new ATOM 0 HE21 GLN A 11 -22.671 17.982 -7.954 1.00100.00 H new ATOM 0 HE22 GLN A 11 -23.826 18.925 -8.902 1.00100.00 H new ATOM 149 N GLU A 12 -18.112 14.492 -9.955 1.00100.00 N ATOM 150 CA GLU A 12 -16.767 14.931 -9.663 1.00100.00 C ATOM 151 C GLU A 12 -16.686 16.281 -8.992 1.00100.00 C ATOM 152 O GLU A 12 -16.075 17.226 -9.498 1.00100.00 O ATOM 153 CB GLU A 12 -15.790 14.833 -10.866 1.00100.00 C ATOM 154 CG GLU A 12 -15.656 13.385 -11.333 1.00100.00 C ATOM 155 CD GLU A 12 -14.641 13.247 -12.462 1.00100.00 C ATOM 156 OE1 GLU A 12 -13.844 14.193 -12.644 1.00100.00 O ATOM 157 OE2 GLU A 12 -14.678 12.187 -13.124 1.00100.00 O ATOM 0 H GLU A 12 -18.325 13.583 -9.544 1.00100.00 H new ATOM 0 HA GLU A 12 -16.424 14.203 -8.928 1.00100.00 H new ATOM 0 HB2 GLU A 12 -16.151 15.453 -11.686 1.00100.00 H new ATOM 0 HB3 GLU A 12 -14.812 15.220 -10.580 1.00100.00 H new ATOM 0 HG2 GLU A 12 -15.354 12.759 -10.494 1.00100.00 H new ATOM 0 HG3 GLU A 12 -16.626 13.020 -11.670 1.00100.00 H new ATOM 164 N ILE A 13 -17.365 16.391 -7.824 1.00100.00 N ATOM 165 CA ILE A 13 -17.362 17.618 -7.065 1.00100.00 C ATOM 166 C ILE A 13 -16.493 17.490 -5.842 1.00100.00 C ATOM 167 O ILE A 13 -16.609 16.551 -5.050 1.00100.00 O ATOM 168 CB ILE A 13 -18.728 18.167 -6.667 1.00100.00 C ATOM 169 CG1 ILE A 13 -19.600 17.195 -5.857 1.00100.00 C ATOM 170 CG2 ILE A 13 -19.419 18.636 -7.942 1.00100.00 C ATOM 171 CD1 ILE A 13 -19.934 15.881 -6.563 1.00100.00 C ATOM 0 H ILE A 13 -17.912 15.637 -7.408 1.00100.00 H new ATOM 0 HA ILE A 13 -16.954 18.350 -7.761 1.00100.00 H new ATOM 0 HB ILE A 13 -18.576 18.996 -5.976 1.00100.00 H new ATOM 0 HG12 ILE A 13 -19.090 16.967 -4.921 1.00100.00 H new ATOM 0 HG13 ILE A 13 -20.532 17.697 -5.598 1.00100.00 H new ATOM 0 HG21 ILE A 13 -20.403 19.037 -7.697 1.00100.00 H new ATOM 0 HG22 ILE A 13 -18.819 19.413 -8.416 1.00100.00 H new ATOM 0 HG23 ILE A 13 -19.530 17.795 -8.626 1.00100.00 H new ATOM 0 HD11 ILE A 13 -20.552 15.264 -5.911 1.00100.00 H new ATOM 0 HD12 ILE A 13 -20.476 16.091 -7.485 1.00100.00 H new ATOM 0 HD13 ILE A 13 -19.012 15.349 -6.798 1.00100.00 H new ATOM 183 N CYS A 14 -15.532 18.431 -5.737 1.00100.00 N ATOM 184 CA CYS A 14 -14.588 18.530 -4.653 1.00100.00 C ATOM 185 C CYS A 14 -13.977 19.902 -4.711 1.00100.00 C ATOM 186 O CYS A 14 -14.141 20.646 -5.683 1.00100.00 O ATOM 187 CB CYS A 14 -13.420 17.517 -4.718 1.00100.00 C ATOM 188 SG CYS A 14 -12.389 17.527 -3.229 1.00100.00 S ATOM 0 H CYS A 14 -15.405 19.159 -6.440 1.00100.00 H new ATOM 0 HA CYS A 14 -15.144 18.322 -3.739 1.00100.00 H new ATOM 0 HB2 CYS A 14 -13.823 16.515 -4.867 1.00100.00 H new ATOM 0 HB3 CYS A 14 -12.799 17.743 -5.585 1.00100.00 H new ATOM 193 N ALA A 15 -13.236 20.253 -3.638 1.00100.00 N ATOM 194 CA ALA A 15 -12.535 21.495 -3.476 1.00100.00 C ATOM 195 C ALA A 15 -11.492 21.636 -4.559 1.00100.00 C ATOM 196 O ALA A 15 -11.300 22.735 -5.077 1.00100.00 O ATOM 197 CB ALA A 15 -11.840 21.574 -2.112 1.00100.00 C ATOM 0 H ALA A 15 -13.120 19.632 -2.837 1.00100.00 H new ATOM 0 HA ALA A 15 -13.267 22.300 -3.543 1.00100.00 H new ATOM 0 HB1 ALA A 15 -11.319 22.527 -2.024 1.00100.00 H new ATOM 0 HB2 ALA A 15 -12.584 21.492 -1.319 1.00100.00 H new ATOM 0 HB3 ALA A 15 -11.122 20.759 -2.022 1.00100.00 H new ATOM 203 N HIS A 16 -10.798 20.522 -4.920 1.00100.00 N ATOM 204 CA HIS A 16 -9.800 20.569 -5.949 1.00100.00 C ATOM 205 C HIS A 16 -10.466 20.229 -7.262 1.00100.00 C ATOM 206 O HIS A 16 -10.698 21.143 -8.055 1.00100.00 O ATOM 207 CB HIS A 16 -8.631 19.602 -5.661 1.00100.00 C ATOM 208 CG HIS A 16 -7.452 19.740 -6.581 1.00100.00 C ATOM 209 ND1 HIS A 16 -6.488 20.720 -6.525 1.00100.00 N ATOM 210 CD2 HIS A 16 -7.105 18.866 -7.574 1.00100.00 C ATOM 211 CE1 HIS A 16 -5.579 20.435 -7.475 1.00100.00 C ATOM 212 NE2 HIS A 16 -5.910 19.315 -8.141 1.00100.00 N ATOM 0 H HIS A 16 -10.932 19.602 -4.500 1.00100.00 H new ATOM 0 HA HIS A 16 -9.370 21.570 -5.989 1.00100.00 H new ATOM 0 HB2 HIS A 16 -8.294 19.759 -4.636 1.00100.00 H new ATOM 0 HB3 HIS A 16 -9.002 18.579 -5.721 1.00100.00 H new ATOM 0 HD2 HIS A 16 -7.657 17.985 -7.868 1.00100.00 H new ATOM 0 HE1 HIS A 16 -4.699 21.028 -7.676 1.00100.00 H new ATOM 0 HE2 HIS A 16 -5.393 18.881 -8.906 1.00100.00 H new ATOM 220 N SER A 17 -10.812 18.931 -7.518 1.00100.00 N ATOM 221 CA SER A 17 -11.436 18.571 -8.769 1.00100.00 C ATOM 222 C SER A 17 -12.249 17.306 -8.755 1.00100.00 C ATOM 223 O SER A 17 -13.324 17.261 -9.353 1.00100.00 O ATOM 224 CB SER A 17 -10.412 18.427 -9.930 1.00100.00 C ATOM 225 OG SER A 17 -9.503 17.384 -9.651 1.00100.00 O ATOM 0 H SER A 17 -10.662 18.155 -6.873 1.00100.00 H new ATOM 0 HA SER A 17 -12.112 19.411 -8.928 1.00100.00 H new ATOM 0 HB2 SER A 17 -10.936 18.223 -10.864 1.00100.00 H new ATOM 0 HB3 SER A 17 -9.871 19.364 -10.066 1.00100.00 H new ATOM 0 HG SER A 17 -8.864 17.301 -10.389 1.00100.00 H new ATOM 231 N MET A 18 -11.758 16.263 -8.046 1.00100.00 N ATOM 232 CA MET A 18 -12.358 14.949 -7.996 1.00100.00 C ATOM 233 C MET A 18 -13.541 14.789 -7.080 1.00100.00 C ATOM 234 O MET A 18 -14.318 15.732 -6.972 1.00100.00 O ATOM 235 CB MET A 18 -11.291 13.860 -7.738 1.00100.00 C ATOM 236 CG MET A 18 -10.184 13.942 -8.784 1.00100.00 C ATOM 237 SD MET A 18 -10.772 13.726 -10.482 1.00100.00 S ATOM 238 CE MET A 18 -9.218 14.051 -11.352 1.00100.00 C ATOM 0 H MET A 18 -10.910 16.335 -7.484 1.00100.00 H new ATOM 0 HA MET A 18 -12.786 14.817 -8.990 1.00100.00 H new ATOM 0 HB2 MET A 18 -10.868 13.985 -6.741 1.00100.00 H new ATOM 0 HB3 MET A 18 -11.754 12.874 -7.766 1.00100.00 H new ATOM 0 HG2 MET A 18 -9.688 14.909 -8.701 1.00100.00 H new ATOM 0 HG3 MET A 18 -9.435 13.180 -8.568 1.00100.00 H new ATOM 0 HE1 MET A 18 -9.378 13.964 -12.427 1.00100.00 H new ATOM 0 HE2 MET A 18 -8.873 15.058 -11.117 1.00100.00 H new ATOM 0 HE3 MET A 18 -8.466 13.327 -11.037 1.00100.00 H new ATOM 248 N THR A 19 -14.027 13.528 -6.967 1.00100.00 N ATOM 249 CA THR A 19 -15.160 13.154 -6.151 1.00100.00 C ATOM 250 C THR A 19 -14.817 13.210 -4.686 1.00100.00 C ATOM 251 O THR A 19 -13.643 13.239 -4.314 1.00100.00 O ATOM 252 CB THR A 19 -15.659 11.745 -6.438 1.00100.00 C ATOM 253 OG1 THR A 19 -14.628 10.817 -6.179 1.00100.00 O ATOM 254 CG2 THR A 19 -16.106 11.622 -7.893 1.00100.00 C ATOM 0 H THR A 19 -13.615 12.737 -7.463 1.00100.00 H new ATOM 0 HA THR A 19 -15.940 13.873 -6.402 1.00100.00 H new ATOM 0 HB THR A 19 -16.511 11.536 -5.792 1.00100.00 H new ATOM 0 HG1 THR A 19 -14.951 9.910 -6.362 1.00100.00 H new ATOM 0 HG21 THR A 19 -16.460 10.608 -8.081 1.00100.00 H new ATOM 0 HG22 THR A 19 -16.912 12.329 -8.087 1.00100.00 H new ATOM 0 HG23 THR A 19 -15.265 11.841 -8.552 1.00100.00 H new ATOM 262 N PHE A 20 -15.858 13.229 -3.813 1.00100.00 N ATOM 263 CA PHE A 20 -15.669 13.248 -2.379 1.00100.00 C ATOM 264 C PHE A 20 -14.965 12.021 -1.859 1.00100.00 C ATOM 265 O PHE A 20 -14.361 12.080 -0.785 1.00100.00 O ATOM 266 CB PHE A 20 -16.927 13.528 -1.543 1.00100.00 C ATOM 267 CG PHE A 20 -17.230 15.007 -1.503 1.00100.00 C ATOM 268 CD1 PHE A 20 -16.432 15.849 -0.716 1.00100.00 C ATOM 269 CD2 PHE A 20 -18.264 15.546 -2.279 1.00100.00 C ATOM 270 CE1 PHE A 20 -16.675 17.229 -0.693 1.00100.00 C ATOM 271 CE2 PHE A 20 -18.516 16.925 -2.247 1.00100.00 C ATOM 272 CZ PHE A 20 -17.719 17.766 -1.456 1.00100.00 C ATOM 0 H PHE A 20 -16.836 13.231 -4.103 1.00100.00 H new ATOM 0 HA PHE A 20 -15.021 14.114 -2.242 1.00100.00 H new ATOM 0 HB2 PHE A 20 -17.776 12.990 -1.965 1.00100.00 H new ATOM 0 HB3 PHE A 20 -16.785 13.154 -0.529 1.00100.00 H new ATOM 0 HD1 PHE A 20 -15.628 15.433 -0.126 1.00100.00 H new ATOM 0 HD2 PHE A 20 -18.866 14.900 -2.901 1.00100.00 H new ATOM 0 HE1 PHE A 20 -16.058 17.877 -0.088 1.00100.00 H new ATOM 0 HE2 PHE A 20 -19.324 17.340 -2.831 1.00100.00 H new ATOM 0 HZ PHE A 20 -17.911 18.829 -1.436 1.00100.00 H new ATOM 282 N GLU A 21 -15.026 10.881 -2.596 1.00100.00 N ATOM 283 CA GLU A 21 -14.331 9.660 -2.242 1.00100.00 C ATOM 284 C GLU A 21 -12.844 9.943 -2.286 1.00100.00 C ATOM 285 O GLU A 21 -12.097 9.536 -1.394 1.00100.00 O ATOM 286 CB GLU A 21 -14.567 8.514 -3.245 1.00100.00 C ATOM 287 CG GLU A 21 -16.049 8.241 -3.485 1.00100.00 C ATOM 288 CD GLU A 21 -16.254 6.976 -4.308 1.00100.00 C ATOM 289 OE1 GLU A 21 -15.441 6.758 -5.233 1.00100.00 O ATOM 290 OE2 GLU A 21 -17.224 6.251 -3.999 1.00100.00 O ATOM 0 H GLU A 21 -15.569 10.805 -3.456 1.00100.00 H new ATOM 0 HA GLU A 21 -14.701 9.357 -1.263 1.00100.00 H new ATOM 0 HB2 GLU A 21 -14.089 8.761 -4.193 1.00100.00 H new ATOM 0 HB3 GLU A 21 -14.090 7.607 -2.874 1.00100.00 H new ATOM 0 HG2 GLU A 21 -16.562 8.142 -2.528 1.00100.00 H new ATOM 0 HG3 GLU A 21 -16.498 9.090 -4.001 1.00100.00 H new ATOM 297 N GLU A 22 -12.411 10.693 -3.331 1.00100.00 N ATOM 298 CA GLU A 22 -11.040 11.070 -3.557 1.00100.00 C ATOM 299 C GLU A 22 -10.726 12.442 -3.001 1.00100.00 C ATOM 300 O GLU A 22 -9.637 12.964 -3.244 1.00100.00 O ATOM 301 CB GLU A 22 -10.661 11.032 -5.059 1.00100.00 C ATOM 302 CG GLU A 22 -10.753 9.610 -5.609 1.00100.00 C ATOM 303 CD GLU A 22 -9.759 8.680 -4.923 1.00100.00 C ATOM 304 OE1 GLU A 22 -8.635 9.150 -4.641 1.00100.00 O ATOM 305 OE2 GLU A 22 -10.141 7.512 -4.696 1.00100.00 O ATOM 0 H GLU A 22 -13.045 11.050 -4.046 1.00100.00 H new ATOM 0 HA GLU A 22 -10.443 10.329 -3.026 1.00100.00 H new ATOM 0 HB2 GLU A 22 -11.325 11.688 -5.622 1.00100.00 H new ATOM 0 HB3 GLU A 22 -9.648 11.413 -5.192 1.00100.00 H new ATOM 0 HG2 GLU A 22 -11.765 9.230 -5.469 1.00100.00 H new ATOM 0 HG3 GLU A 22 -10.562 9.621 -6.682 1.00100.00 H new ATOM 312 N CYS A 23 -11.653 13.047 -2.207 1.00100.00 N ATOM 313 CA CYS A 23 -11.480 14.355 -1.617 1.00100.00 C ATOM 314 C CYS A 23 -10.274 14.410 -0.712 1.00100.00 C ATOM 315 O CYS A 23 -9.569 15.414 -0.819 1.00100.00 O ATOM 316 CB CYS A 23 -12.710 14.892 -0.851 1.00100.00 C ATOM 317 SG CYS A 23 -12.352 16.506 -0.113 1.00100.00 S ATOM 0 H CYS A 23 -12.545 12.613 -1.971 1.00100.00 H new ATOM 0 HA CYS A 23 -11.334 15.008 -2.478 1.00100.00 H new ATOM 0 HB2 CYS A 23 -13.558 14.978 -1.530 1.00100.00 H new ATOM 0 HB3 CYS A 23 -12.996 14.186 -0.071 1.00100.00 H new ATOM 0 HG CYS A 23 -12.146 17.378 -1.055 1.00100.00 H new ATOM 322 N PRO A 24 -9.964 13.405 0.182 1.00100.00 N ATOM 323 CA PRO A 24 -8.773 13.457 1.009 1.00100.00 C ATOM 324 C PRO A 24 -7.519 13.512 0.172 1.00100.00 C ATOM 325 O PRO A 24 -6.585 14.212 0.567 1.00100.00 O ATOM 326 CB PRO A 24 -8.823 12.231 1.912 1.00100.00 C ATOM 327 CG PRO A 24 -10.306 11.851 1.912 1.00100.00 C ATOM 328 CD PRO A 24 -10.781 12.260 0.518 1.00100.00 C ATOM 0 HA PRO A 24 -8.748 14.366 1.610 1.00100.00 H new ATOM 0 HB2 PRO A 24 -8.201 11.423 1.527 1.00100.00 H new ATOM 0 HB3 PRO A 24 -8.466 12.457 2.917 1.00100.00 H new ATOM 0 HG2 PRO A 24 -10.447 10.784 2.087 1.00100.00 H new ATOM 0 HG3 PRO A 24 -10.855 12.377 2.693 1.00100.00 H new ATOM 0 HD2 PRO A 24 -10.647 11.452 -0.201 1.00100.00 H new ATOM 0 HD3 PRO A 24 -11.841 12.514 0.518 1.00100.00 H new ATOM 336 N LYS A 25 -7.495 12.774 -0.970 1.00100.00 N ATOM 337 CA LYS A 25 -6.385 12.737 -1.891 1.00100.00 C ATOM 338 C LYS A 25 -6.181 14.102 -2.496 1.00100.00 C ATOM 339 O LYS A 25 -5.055 14.592 -2.549 1.00100.00 O ATOM 340 CB LYS A 25 -6.617 11.764 -3.065 1.00100.00 C ATOM 341 CG LYS A 25 -5.397 11.720 -3.987 1.00100.00 C ATOM 342 CD LYS A 25 -5.653 10.788 -5.170 1.00100.00 C ATOM 343 CE LYS A 25 -6.728 11.384 -6.077 1.00100.00 C ATOM 344 NZ LYS A 25 -6.987 10.513 -7.233 1.00100.00 N ATOM 0 H LYS A 25 -8.276 12.185 -1.259 1.00100.00 H new ATOM 0 HA LYS A 25 -5.522 12.406 -1.314 1.00100.00 H new ATOM 0 HB2 LYS A 25 -6.823 10.765 -2.680 1.00100.00 H new ATOM 0 HB3 LYS A 25 -7.495 12.074 -3.632 1.00100.00 H new ATOM 0 HG2 LYS A 25 -5.171 12.723 -4.349 1.00100.00 H new ATOM 0 HG3 LYS A 25 -4.525 11.378 -3.430 1.00100.00 H new ATOM 0 HD2 LYS A 25 -4.732 10.639 -5.733 1.00100.00 H new ATOM 0 HD3 LYS A 25 -5.969 9.809 -4.811 1.00100.00 H new ATOM 0 HE2 LYS A 25 -7.649 11.526 -5.511 1.00100.00 H new ATOM 0 HE3 LYS A 25 -6.412 12.368 -6.423 1.00100.00 H new ATOM 0 HZ1 LYS A 25 -7.721 10.941 -7.833 1.00100.00 H new ATOM 0 HZ2 LYS A 25 -6.113 10.399 -7.784 1.00100.00 H new ATOM 0 HZ3 LYS A 25 -7.311 9.582 -6.901 1.00100.00 H new ATOM 358 N CYS A 26 -7.292 14.751 -2.924 1.00100.00 N ATOM 359 CA CYS A 26 -7.298 16.057 -3.532 1.00100.00 C ATOM 360 C CYS A 26 -6.774 17.090 -2.579 1.00100.00 C ATOM 361 O CYS A 26 -5.991 17.962 -2.971 1.00100.00 O ATOM 362 CB CYS A 26 -8.708 16.474 -3.973 1.00100.00 C ATOM 363 SG CYS A 26 -9.203 15.519 -5.426 1.00100.00 S ATOM 0 H CYS A 26 -8.225 14.347 -2.842 1.00100.00 H new ATOM 0 HA CYS A 26 -6.654 15.996 -4.409 1.00100.00 H new ATOM 0 HB2 CYS A 26 -9.416 16.311 -3.161 1.00100.00 H new ATOM 0 HB3 CYS A 26 -8.727 17.539 -4.203 1.00100.00 H new ATOM 0 HG CYS A 26 -9.485 14.301 -5.069 1.00100.00 H new ATOM 369 N SER A 27 -7.199 16.985 -1.296 1.00100.00 N ATOM 370 CA SER A 27 -6.793 17.871 -0.249 1.00100.00 C ATOM 371 C SER A 27 -5.319 17.754 -0.016 1.00100.00 C ATOM 372 O SER A 27 -4.640 18.768 0.080 1.00100.00 O ATOM 373 CB SER A 27 -7.515 17.610 1.071 1.00100.00 C ATOM 374 OG SER A 27 -7.184 18.617 1.999 1.00100.00 O ATOM 0 H SER A 27 -7.845 16.259 -0.985 1.00100.00 H new ATOM 0 HA SER A 27 -7.057 18.875 -0.582 1.00100.00 H new ATOM 0 HB2 SER A 27 -8.593 17.590 0.910 1.00100.00 H new ATOM 0 HB3 SER A 27 -7.234 16.633 1.464 1.00100.00 H new ATOM 0 HG SER A 27 -7.650 18.448 2.845 1.00100.00 H new ATOM 380 N ALA A 28 -4.801 16.509 0.033 1.00100.00 N ATOM 381 CA ALA A 28 -3.406 16.232 0.242 1.00100.00 C ATOM 382 C ALA A 28 -2.548 16.754 -0.875 1.00100.00 C ATOM 383 O ALA A 28 -1.471 17.298 -0.630 1.00100.00 O ATOM 384 CB ALA A 28 -3.123 14.725 0.376 1.00100.00 C ATOM 0 H ALA A 28 -5.369 15.669 -0.076 1.00100.00 H new ATOM 0 HA ALA A 28 -3.156 16.741 1.173 1.00100.00 H new ATOM 0 HB1 ALA A 28 -2.056 14.568 0.532 1.00100.00 H new ATOM 0 HB2 ALA A 28 -3.677 14.325 1.225 1.00100.00 H new ATOM 0 HB3 ALA A 28 -3.435 14.214 -0.535 1.00100.00 H new ATOM 390 N LEU A 29 -3.040 16.612 -2.128 1.00100.00 N ATOM 391 CA LEU A 29 -2.338 17.016 -3.317 1.00100.00 C ATOM 392 C LEU A 29 -2.022 18.476 -3.382 1.00100.00 C ATOM 393 O LEU A 29 -0.861 18.811 -3.627 1.00100.00 O ATOM 394 CB LEU A 29 -3.141 16.727 -4.607 1.00100.00 C ATOM 395 CG LEU A 29 -2.612 15.508 -5.366 1.00100.00 C ATOM 396 CD1 LEU A 29 -2.520 14.260 -4.488 1.00100.00 C ATOM 397 CD2 LEU A 29 -3.560 15.227 -6.532 1.00100.00 C ATOM 0 H LEU A 29 -3.955 16.203 -2.319 1.00100.00 H new ATOM 0 HA LEU A 29 -1.421 16.430 -3.258 1.00100.00 H new ATOM 0 HB2 LEU A 29 -4.188 16.565 -4.351 1.00100.00 H new ATOM 0 HB3 LEU A 29 -3.104 17.601 -5.258 1.00100.00 H new ATOM 0 HG LEU A 29 -1.603 15.735 -5.709 1.00100.00 H new ATOM 0 HD11 LEU A 29 -2.139 13.427 -5.079 1.00100.00 H new ATOM 0 HD12 LEU A 29 -1.846 14.451 -3.653 1.00100.00 H new ATOM 0 HD13 LEU A 29 -3.510 14.011 -4.105 1.00100.00 H new ATOM 0 HD21 LEU A 29 -3.204 14.361 -7.090 1.00100.00 H new ATOM 0 HD22 LEU A 29 -4.560 15.025 -6.148 1.00100.00 H new ATOM 0 HD23 LEU A 29 -3.593 16.094 -7.191 1.00100.00 H new ATOM 409 N GLN A 30 -3.033 19.369 -3.165 1.00100.00 N ATOM 410 CA GLN A 30 -2.790 20.791 -3.290 1.00100.00 C ATOM 411 C GLN A 30 -2.618 21.496 -1.969 1.00100.00 C ATOM 412 O GLN A 30 -1.962 22.538 -1.917 1.00100.00 O ATOM 413 CB GLN A 30 -3.943 21.516 -4.011 1.00100.00 C ATOM 414 CG GLN A 30 -3.629 22.963 -4.390 1.00100.00 C ATOM 415 CD GLN A 30 -4.810 23.586 -5.126 1.00100.00 C ATOM 416 OE1 GLN A 30 -4.533 24.379 -6.163 1.00100.00 O flip ATOM 417 NE2 GLN A 30 -5.960 23.350 -4.763 1.00100.00 N flip ATOM 0 H GLN A 30 -3.988 19.114 -2.911 1.00100.00 H new ATOM 0 HA GLN A 30 -1.863 20.842 -3.862 1.00100.00 H new ATOM 0 HB2 GLN A 30 -4.198 20.962 -4.914 1.00100.00 H new ATOM 0 HB3 GLN A 30 -4.824 21.503 -3.370 1.00100.00 H new ATOM 0 HG2 GLN A 30 -3.405 23.541 -3.493 1.00100.00 H new ATOM 0 HG3 GLN A 30 -2.740 22.996 -5.020 1.00100.00 H new ATOM 0 HE21 GLN A 30 -6.127 22.738 -3.965 1.00100.00 H new ATOM 0 HE22 GLN A 30 -6.747 23.766 -5.260 1.00100.00 H new ATOM 426 N TYR A 31 -3.162 20.927 -0.869 1.00100.00 N ATOM 427 CA TYR A 31 -3.134 21.457 0.481 1.00100.00 C ATOM 428 C TYR A 31 -4.070 22.616 0.711 1.00100.00 C ATOM 429 O TYR A 31 -4.883 22.526 1.633 1.00100.00 O ATOM 430 CB TYR A 31 -1.733 21.848 1.034 1.00100.00 C ATOM 431 CG TYR A 31 -0.746 20.707 0.950 1.00100.00 C ATOM 432 CD1 TYR A 31 -0.779 19.687 1.911 1.00100.00 C ATOM 433 CD2 TYR A 31 0.175 20.652 -0.104 1.00100.00 C ATOM 434 CE1 TYR A 31 0.114 18.611 1.826 1.00100.00 C ATOM 435 CE2 TYR A 31 1.072 19.579 -0.199 1.00100.00 C ATOM 436 CZ TYR A 31 1.044 18.553 0.768 1.00100.00 C ATOM 437 OH TYR A 31 1.912 17.504 0.677 1.00100.00 O ATOM 0 H TYR A 31 -3.656 20.036 -0.921 1.00100.00 H new ATOM 0 HA TYR A 31 -3.479 20.588 1.042 1.00100.00 H new ATOM 0 HB2 TYR A 31 -1.348 22.700 0.474 1.00100.00 H new ATOM 0 HB3 TYR A 31 -1.830 22.166 2.072 1.00100.00 H new ATOM 0 HD1 TYR A 31 -1.495 19.731 2.719 1.00100.00 H new ATOM 0 HD2 TYR A 31 0.194 21.438 -0.845 1.00100.00 H new ATOM 0 HE1 TYR A 31 0.090 17.828 2.569 1.00100.00 H new ATOM 0 HE2 TYR A 31 1.783 19.538 -1.011 1.00100.00 H new ATOM 0 HH TYR A 31 2.483 17.619 -0.111 1.00100.00 H new ATOM 447 N ARG A 32 -3.993 23.718 -0.092 1.00100.00 N ATOM 448 CA ARG A 32 -4.858 24.867 0.098 1.00100.00 C ATOM 449 C ARG A 32 -6.292 24.511 -0.173 1.00100.00 C ATOM 450 O ARG A 32 -7.101 24.562 0.753 1.00100.00 O ATOM 451 CB ARG A 32 -4.512 26.027 -0.856 1.00100.00 C ATOM 452 CG ARG A 32 -3.112 26.556 -0.564 1.00100.00 C ATOM 453 CD ARG A 32 -2.819 27.747 -1.473 1.00100.00 C ATOM 454 NE ARG A 32 -1.453 28.229 -1.268 1.00100.00 N ATOM 455 CZ ARG A 32 -0.390 27.766 -1.947 1.00100.00 C ATOM 456 NH1 ARG A 32 -0.539 26.818 -2.884 1.00100.00 N ATOM 457 NH2 ARG A 32 0.828 28.256 -1.686 1.00100.00 N ATOM 0 H ARG A 32 -3.336 23.811 -0.867 1.00100.00 H new ATOM 0 HA ARG A 32 -4.709 25.174 1.133 1.00100.00 H new ATOM 0 HB2 ARG A 32 -4.570 25.686 -1.890 1.00100.00 H new ATOM 0 HB3 ARG A 32 -5.242 26.829 -0.743 1.00100.00 H new ATOM 0 HG2 ARG A 32 -3.035 26.855 0.481 1.00100.00 H new ATOM 0 HG3 ARG A 32 -2.374 25.771 -0.726 1.00100.00 H new ATOM 0 HD2 ARG A 32 -2.956 27.458 -2.515 1.00100.00 H new ATOM 0 HD3 ARG A 32 -3.528 28.550 -1.269 1.00100.00 H new ATOM 0 HE ARG A 32 -1.299 28.957 -0.571 1.00100.00 H new ATOM 0 HH11 ARG A 32 -1.465 26.442 -3.086 1.00100.00 H new ATOM 0 HH12 ARG A 32 0.274 26.473 -3.394 1.00100.00 H new ATOM 0 HH21 ARG A 32 0.946 28.977 -0.975 1.00100.00 H new ATOM 0 HH22 ARG A 32 1.638 27.908 -2.199 1.00100.00 H new ATOM 471 N ASN A 33 -6.617 24.103 -1.430 1.00100.00 N ATOM 472 CA ASN A 33 -7.933 23.685 -1.855 1.00100.00 C ATOM 473 C ASN A 33 -9.070 24.606 -1.473 1.00100.00 C ATOM 474 O ASN A 33 -10.118 24.156 -1.005 1.00100.00 O ATOM 475 CB ASN A 33 -8.206 22.225 -1.447 1.00100.00 C ATOM 476 CG ASN A 33 -7.149 21.352 -2.102 1.00100.00 C ATOM 477 OD1 ASN A 33 -7.180 21.156 -3.313 1.00100.00 O ATOM 478 ND2 ASN A 33 -6.188 20.868 -1.314 1.00100.00 N ATOM 0 H ASN A 33 -5.929 24.064 -2.182 1.00100.00 H new ATOM 0 HA ASN A 33 -7.909 23.751 -2.943 1.00100.00 H new ATOM 0 HB2 ASN A 33 -8.170 22.119 -0.363 1.00100.00 H new ATOM 0 HB3 ASN A 33 -9.203 21.920 -1.765 1.00100.00 H new ATOM 0 HD21 ASN A 33 -5.435 20.307 -1.713 1.00100.00 H new ATOM 0 HD22 ASN A 33 -6.206 21.058 -0.312 1.00100.00 H new ATOM 485 N GLY A 34 -8.883 25.935 -1.656 1.00100.00 N ATOM 486 CA GLY A 34 -9.900 26.903 -1.310 1.00100.00 C ATOM 487 C GLY A 34 -9.982 27.095 0.180 1.00100.00 C ATOM 488 O GLY A 34 -10.993 27.579 0.689 1.00100.00 O ATOM 0 H GLY A 34 -8.031 26.341 -2.042 1.00100.00 H new ATOM 0 HA2 GLY A 34 -9.678 27.856 -1.791 1.00100.00 H new ATOM 0 HA3 GLY A 34 -10.866 26.572 -1.691 1.00100.00 H new ATOM 492 N PHE A 35 -8.889 26.724 0.896 1.00100.00 N ATOM 493 CA PHE A 35 -8.717 26.792 2.322 1.00100.00 C ATOM 494 C PHE A 35 -9.784 26.065 3.097 1.00100.00 C ATOM 495 O PHE A 35 -10.276 26.517 4.132 1.00100.00 O ATOM 496 CB PHE A 35 -8.476 28.222 2.833 1.00100.00 C ATOM 497 CG PHE A 35 -7.227 28.815 2.224 1.00100.00 C ATOM 498 CD1 PHE A 35 -5.968 28.487 2.746 1.00100.00 C ATOM 499 CD2 PHE A 35 -7.322 29.642 1.096 1.00100.00 C ATOM 500 CE1 PHE A 35 -4.807 28.995 2.146 1.00100.00 C ATOM 501 CE2 PHE A 35 -6.162 30.157 0.503 1.00100.00 C ATOM 502 CZ PHE A 35 -4.904 29.833 1.028 1.00100.00 C ATOM 0 H PHE A 35 -8.062 26.347 0.434 1.00100.00 H new ATOM 0 HA PHE A 35 -7.796 26.243 2.520 1.00100.00 H new ATOM 0 HB2 PHE A 35 -9.335 28.848 2.590 1.00100.00 H new ATOM 0 HB3 PHE A 35 -8.385 28.213 3.919 1.00100.00 H new ATOM 0 HD1 PHE A 35 -5.892 27.843 3.610 1.00100.00 H new ATOM 0 HD2 PHE A 35 -8.291 29.882 0.684 1.00100.00 H new ATOM 0 HE1 PHE A 35 -3.837 28.740 2.546 1.00100.00 H new ATOM 0 HE2 PHE A 35 -6.237 30.804 -0.359 1.00100.00 H new ATOM 0 HZ PHE A 35 -4.009 30.229 0.571 1.00100.00 H new ATOM 512 N TYR A 36 -10.130 24.868 2.570 1.00100.00 N ATOM 513 CA TYR A 36 -11.079 23.916 3.096 1.00100.00 C ATOM 514 C TYR A 36 -10.608 23.483 4.462 1.00100.00 C ATOM 515 O TYR A 36 -11.386 23.466 5.419 1.00100.00 O ATOM 516 CB TYR A 36 -11.087 22.693 2.124 1.00100.00 C ATOM 517 CG TYR A 36 -11.794 21.467 2.647 1.00100.00 C ATOM 518 CD1 TYR A 36 -13.081 21.571 3.191 1.00100.00 C ATOM 519 CD2 TYR A 36 -11.156 20.219 2.576 1.00100.00 C ATOM 520 CE1 TYR A 36 -13.742 20.426 3.655 1.00100.00 C ATOM 521 CE2 TYR A 36 -11.808 19.070 3.040 1.00100.00 C ATOM 522 CZ TYR A 36 -13.107 19.168 3.577 1.00100.00 C ATOM 523 OH TYR A 36 -13.744 18.049 4.026 1.00100.00 O ATOM 0 H TYR A 36 -9.710 24.538 1.701 1.00100.00 H new ATOM 0 HA TYR A 36 -12.079 24.341 3.180 1.00100.00 H new ATOM 0 HB2 TYR A 36 -11.559 22.995 1.189 1.00100.00 H new ATOM 0 HB3 TYR A 36 -10.056 22.427 1.890 1.00100.00 H new ATOM 0 HD1 TYR A 36 -13.564 22.535 3.253 1.00100.00 H new ATOM 0 HD2 TYR A 36 -10.161 20.145 2.163 1.00100.00 H new ATOM 0 HE1 TYR A 36 -14.735 20.506 4.071 1.00100.00 H new ATOM 0 HE2 TYR A 36 -11.316 18.110 2.986 1.00100.00 H new ATOM 0 HH TYR A 36 -13.165 17.269 3.897 1.00100.00 H new ATOM 533 N LEU A 37 -9.298 23.165 4.568 1.00100.00 N ATOM 534 CA LEU A 37 -8.703 22.738 5.797 1.00100.00 C ATOM 535 C LEU A 37 -8.072 23.976 6.355 1.00100.00 C ATOM 536 O LEU A 37 -7.115 24.522 5.801 1.00100.00 O ATOM 537 CB LEU A 37 -7.629 21.648 5.573 1.00100.00 C ATOM 538 CG LEU A 37 -6.950 21.252 6.884 1.00100.00 C ATOM 539 CD1 LEU A 37 -7.954 20.601 7.835 1.00100.00 C ATOM 540 CD2 LEU A 37 -5.824 20.265 6.583 1.00100.00 C ATOM 0 H LEU A 37 -8.645 23.206 3.785 1.00100.00 H new ATOM 0 HA LEU A 37 -9.442 22.294 6.464 1.00100.00 H new ATOM 0 HB2 LEU A 37 -8.090 20.770 5.121 1.00100.00 H new ATOM 0 HB3 LEU A 37 -6.880 22.013 4.870 1.00100.00 H new ATOM 0 HG LEU A 37 -6.550 22.147 7.360 1.00100.00 H new ATOM 0 HD11 LEU A 37 -7.451 20.326 8.762 1.00100.00 H new ATOM 0 HD12 LEU A 37 -8.758 21.304 8.053 1.00100.00 H new ATOM 0 HD13 LEU A 37 -8.370 19.708 7.369 1.00100.00 H new ATOM 0 HD21 LEU A 37 -5.334 19.977 7.513 1.00100.00 H new ATOM 0 HD22 LEU A 37 -6.236 19.379 6.101 1.00100.00 H new ATOM 0 HD23 LEU A 37 -5.097 20.734 5.920 1.00100.00 H new ATOM 552 N LEU A 38 -8.642 24.421 7.491 1.00100.00 N ATOM 553 CA LEU A 38 -8.244 25.593 8.226 1.00100.00 C ATOM 554 C LEU A 38 -6.867 25.478 8.807 1.00100.00 C ATOM 555 O LEU A 38 -6.117 26.453 8.844 1.00100.00 O ATOM 556 CB LEU A 38 -9.199 25.969 9.374 1.00100.00 C ATOM 557 CG LEU A 38 -10.573 26.386 8.840 1.00100.00 C ATOM 558 CD1 LEU A 38 -11.496 26.656 10.027 1.00100.00 C ATOM 559 CD2 LEU A 38 -10.483 27.658 7.993 1.00100.00 C ATOM 0 H LEU A 38 -9.428 23.936 7.925 1.00100.00 H new ATOM 0 HA LEU A 38 -8.271 26.378 7.470 1.00100.00 H new ATOM 0 HB2 LEU A 38 -9.311 25.121 10.050 1.00100.00 H new ATOM 0 HB3 LEU A 38 -8.769 26.785 9.955 1.00100.00 H new ATOM 0 HG LEU A 38 -10.958 25.581 8.214 1.00100.00 H new ATOM 0 HD11 LEU A 38 -12.479 26.954 9.663 1.00100.00 H new ATOM 0 HD12 LEU A 38 -11.591 25.751 10.628 1.00100.00 H new ATOM 0 HD13 LEU A 38 -11.078 27.455 10.639 1.00100.00 H new ATOM 0 HD21 LEU A 38 -11.476 27.925 7.631 1.00100.00 H new ATOM 0 HD22 LEU A 38 -10.087 28.472 8.600 1.00100.00 H new ATOM 0 HD23 LEU A 38 -9.822 27.484 7.144 1.00100.00 H new ATOM 571 N LYS A 39 -6.507 24.245 9.228 1.00100.00 N ATOM 572 CA LYS A 39 -5.270 23.880 9.875 1.00100.00 C ATOM 573 C LYS A 39 -4.051 24.184 9.048 1.00100.00 C ATOM 574 O LYS A 39 -2.979 24.384 9.619 1.00100.00 O ATOM 575 CB LYS A 39 -5.263 22.377 10.192 1.00100.00 C ATOM 576 CG LYS A 39 -6.419 22.026 11.128 1.00100.00 C ATOM 577 CD LYS A 39 -6.330 20.558 11.539 1.00100.00 C ATOM 578 CE LYS A 39 -7.489 20.223 12.473 1.00100.00 C ATOM 579 NZ LYS A 39 -7.435 18.814 12.891 1.00100.00 N ATOM 0 H LYS A 39 -7.125 23.443 9.108 1.00100.00 H new ATOM 0 HA LYS A 39 -5.221 24.480 10.783 1.00100.00 H new ATOM 0 HB2 LYS A 39 -5.347 21.804 9.269 1.00100.00 H new ATOM 0 HB3 LYS A 39 -4.315 22.100 10.654 1.00100.00 H new ATOM 0 HG2 LYS A 39 -6.388 22.662 12.012 1.00100.00 H new ATOM 0 HG3 LYS A 39 -7.371 22.216 10.632 1.00100.00 H new ATOM 0 HD2 LYS A 39 -6.363 19.919 10.657 1.00100.00 H new ATOM 0 HD3 LYS A 39 -5.380 20.365 12.037 1.00100.00 H new ATOM 0 HE2 LYS A 39 -7.453 20.869 13.351 1.00100.00 H new ATOM 0 HE3 LYS A 39 -8.436 20.421 11.970 1.00100.00 H new ATOM 0 HZ1 LYS A 39 -8.233 18.609 13.526 1.00100.00 H new ATOM 0 HZ2 LYS A 39 -7.493 18.201 12.053 1.00100.00 H new ATOM 0 HZ3 LYS A 39 -6.541 18.634 13.390 1.00100.00 H new ATOM 593 N TYR A 40 -4.183 24.242 7.700 1.00100.00 N ATOM 594 CA TYR A 40 -3.105 24.544 6.791 1.00100.00 C ATOM 595 C TYR A 40 -2.524 25.918 7.056 1.00100.00 C ATOM 596 O TYR A 40 -1.302 26.077 7.050 1.00100.00 O ATOM 597 CB TYR A 40 -3.611 24.455 5.318 1.00100.00 C ATOM 598 CG TYR A 40 -2.598 24.910 4.295 1.00100.00 C ATOM 599 CD1 TYR A 40 -1.538 24.068 3.932 1.00100.00 C ATOM 600 CD2 TYR A 40 -2.722 26.178 3.707 1.00100.00 C ATOM 601 CE1 TYR A 40 -0.605 24.484 2.972 1.00100.00 C ATOM 602 CE2 TYR A 40 -1.792 26.604 2.751 1.00100.00 C ATOM 603 CZ TYR A 40 -0.731 25.755 2.374 1.00100.00 C ATOM 604 OH TYR A 40 0.166 26.163 1.430 1.00100.00 O ATOM 0 H TYR A 40 -5.071 24.073 7.227 1.00100.00 H new ATOM 0 HA TYR A 40 -2.315 23.810 6.950 1.00100.00 H new ATOM 0 HB2 TYR A 40 -3.893 23.424 5.103 1.00100.00 H new ATOM 0 HB3 TYR A 40 -4.512 25.060 5.217 1.00100.00 H new ATOM 0 HD1 TYR A 40 -1.440 23.096 4.393 1.00100.00 H new ATOM 0 HD2 TYR A 40 -3.537 26.827 3.993 1.00100.00 H new ATOM 0 HE1 TYR A 40 0.209 23.832 2.691 1.00100.00 H new ATOM 0 HE2 TYR A 40 -1.887 27.582 2.303 1.00100.00 H new ATOM 0 HH TYR A 40 -0.070 27.063 1.122 1.00100.00 H new ATOM 614 N ASP A 41 -3.391 26.925 7.306 1.00100.00 N ATOM 615 CA ASP A 41 -2.957 28.277 7.537 1.00100.00 C ATOM 616 C ASP A 41 -2.313 28.409 8.899 1.00100.00 C ATOM 617 O ASP A 41 -2.812 27.902 9.906 1.00100.00 O ATOM 618 CB ASP A 41 -4.117 29.285 7.361 1.00100.00 C ATOM 619 CG ASP A 41 -3.649 30.720 7.552 1.00100.00 C ATOM 620 OD1 ASP A 41 -2.878 31.185 6.685 1.00100.00 O ATOM 621 OD2 ASP A 41 -4.072 31.326 8.559 1.00100.00 O ATOM 0 H ASP A 41 -4.402 26.800 7.348 1.00100.00 H new ATOM 0 HA ASP A 41 -2.206 28.518 6.785 1.00100.00 H new ATOM 0 HB2 ASP A 41 -4.549 29.172 6.367 1.00100.00 H new ATOM 0 HB3 ASP A 41 -4.906 29.061 8.079 1.00100.00 H new ATOM 626 N GLU A 42 -1.150 29.101 8.921 1.00100.00 N ATOM 627 CA GLU A 42 -0.355 29.351 10.098 1.00100.00 C ATOM 628 C GLU A 42 -1.080 30.189 11.111 1.00100.00 C ATOM 629 O GLU A 42 -0.985 29.935 12.312 1.00100.00 O ATOM 630 CB GLU A 42 0.983 30.033 9.776 1.00100.00 C ATOM 631 CG GLU A 42 1.810 29.156 8.838 1.00100.00 C ATOM 632 CD GLU A 42 3.148 29.812 8.527 1.00100.00 C ATOM 633 OE1 GLU A 42 3.160 30.671 7.620 1.00100.00 O ATOM 634 OE2 GLU A 42 4.132 29.446 9.206 1.00100.00 O ATOM 0 H GLU A 42 -0.744 29.506 8.078 1.00100.00 H new ATOM 0 HA GLU A 42 -0.161 28.363 10.516 1.00100.00 H new ATOM 0 HB2 GLU A 42 0.803 31.003 9.314 1.00100.00 H new ATOM 0 HB3 GLU A 42 1.537 30.216 10.697 1.00100.00 H new ATOM 0 HG2 GLU A 42 1.975 28.181 9.296 1.00100.00 H new ATOM 0 HG3 GLU A 42 1.260 28.985 7.913 1.00100.00 H new ATOM 641 N GLU A 43 -1.840 31.197 10.632 1.00100.00 N ATOM 642 CA GLU A 43 -2.585 32.107 11.461 1.00100.00 C ATOM 643 C GLU A 43 -3.953 31.570 11.811 1.00100.00 C ATOM 644 O GLU A 43 -4.715 32.258 12.493 1.00100.00 O ATOM 645 CB GLU A 43 -2.762 33.483 10.777 1.00100.00 C ATOM 646 CG GLU A 43 -1.406 34.109 10.453 1.00100.00 C ATOM 647 CD GLU A 43 -0.573 34.310 11.712 1.00100.00 C ATOM 648 OE1 GLU A 43 -1.103 34.943 12.651 1.00100.00 O ATOM 649 OE2 GLU A 43 0.580 33.826 11.715 1.00100.00 O ATOM 0 H GLU A 43 -1.940 31.386 9.635 1.00100.00 H new ATOM 0 HA GLU A 43 -2.002 32.221 12.375 1.00100.00 H new ATOM 0 HB2 GLU A 43 -3.341 33.367 9.861 1.00100.00 H new ATOM 0 HB3 GLU A 43 -3.328 34.148 11.430 1.00100.00 H new ATOM 0 HG2 GLU A 43 -0.865 33.469 9.755 1.00100.00 H new ATOM 0 HG3 GLU A 43 -1.555 35.068 9.956 1.00100.00 H new ATOM 656 N TRP A 44 -4.279 30.320 11.371 1.00100.00 N ATOM 657 CA TRP A 44 -5.519 29.600 11.565 1.00100.00 C ATOM 658 C TRP A 44 -6.597 30.125 10.663 1.00100.00 C ATOM 659 O TRP A 44 -7.255 29.317 10.008 1.00100.00 O ATOM 660 CB TRP A 44 -6.051 29.541 13.029 1.00100.00 C ATOM 661 CG TRP A 44 -7.219 28.626 13.203 1.00100.00 C ATOM 662 CD1 TRP A 44 -8.517 28.998 13.194 1.00100.00 C ATOM 663 CD2 TRP A 44 -7.220 27.178 13.377 1.00100.00 C ATOM 664 NE1 TRP A 44 -9.317 27.887 13.360 1.00100.00 N ATOM 665 CE2 TRP A 44 -8.568 26.734 13.475 1.00100.00 C ATOM 666 CE3 TRP A 44 -6.219 26.194 13.454 1.00100.00 C ATOM 667 CZ2 TRP A 44 -8.904 25.386 13.645 1.00100.00 C ATOM 668 CZ3 TRP A 44 -6.544 24.840 13.626 1.00100.00 C ATOM 669 CH2 TRP A 44 -7.882 24.433 13.720 1.00100.00 C ATOM 0 H TRP A 44 -3.611 29.769 10.832 1.00100.00 H new ATOM 0 HA TRP A 44 -5.262 28.573 11.306 1.00100.00 H new ATOM 0 HB2 TRP A 44 -5.245 29.217 13.687 1.00100.00 H new ATOM 0 HB3 TRP A 44 -6.336 30.545 13.344 1.00100.00 H new ATOM 0 HD1 TRP A 44 -8.874 30.010 13.075 1.00100.00 H new ATOM 0 HE1 TRP A 44 -10.336 27.914 13.394 1.00100.00 H new ATOM 0 HE3 TRP A 44 -5.182 26.485 13.379 1.00100.00 H new ATOM 0 HZ2 TRP A 44 -9.939 25.085 13.717 1.00100.00 H new ATOM 0 HZ3 TRP A 44 -5.756 24.104 13.687 1.00100.00 H new ATOM 0 HH2 TRP A 44 -8.123 23.388 13.850 1.00100.00 H new ATOM 680 N TYR A 45 -6.822 31.462 10.618 1.00100.00 N ATOM 681 CA TYR A 45 -7.838 32.024 9.769 1.00100.00 C ATOM 682 C TYR A 45 -7.218 32.504 8.480 1.00100.00 C ATOM 683 O TYR A 45 -6.438 33.461 8.481 1.00100.00 O ATOM 684 CB TYR A 45 -8.600 33.216 10.390 1.00100.00 C ATOM 685 CG TYR A 45 -9.466 32.788 11.548 1.00100.00 C ATOM 686 CD1 TYR A 45 -10.772 32.339 11.308 1.00100.00 C ATOM 687 CD2 TYR A 45 -8.953 32.804 12.852 1.00100.00 C ATOM 688 CE1 TYR A 45 -11.572 31.906 12.372 1.00100.00 C ATOM 689 CE2 TYR A 45 -9.747 32.375 13.923 1.00100.00 C ATOM 690 CZ TYR A 45 -11.061 31.922 13.686 1.00100.00 C ATOM 691 OH TYR A 45 -11.834 31.493 14.725 1.00100.00 O ATOM 0 H TYR A 45 -6.303 32.147 11.167 1.00100.00 H new ATOM 0 HA TYR A 45 -8.556 31.220 9.610 1.00100.00 H new ATOM 0 HB2 TYR A 45 -7.886 33.967 10.729 1.00100.00 H new ATOM 0 HB3 TYR A 45 -9.220 33.687 9.628 1.00100.00 H new ATOM 0 HD1 TYR A 45 -11.162 32.327 10.301 1.00100.00 H new ATOM 0 HD2 TYR A 45 -7.945 33.147 13.031 1.00100.00 H new ATOM 0 HE1 TYR A 45 -12.578 31.560 12.187 1.00100.00 H new ATOM 0 HE2 TYR A 45 -9.353 32.391 14.929 1.00100.00 H new ATOM 0 HH TYR A 45 -11.329 31.569 15.562 1.00100.00 H new ATOM 701 N PRO A 46 -7.533 31.817 7.343 1.00100.00 N ATOM 702 CA PRO A 46 -7.056 32.147 6.019 1.00100.00 C ATOM 703 C PRO A 46 -7.877 33.240 5.376 1.00100.00 C ATOM 704 O PRO A 46 -8.885 33.660 5.950 1.00100.00 O ATOM 705 CB PRO A 46 -7.131 30.840 5.243 1.00100.00 C ATOM 706 CG PRO A 46 -8.386 30.201 5.835 1.00100.00 C ATOM 707 CD PRO A 46 -8.284 30.578 7.308 1.00100.00 C ATOM 0 HA PRO A 46 -6.042 32.547 6.041 1.00100.00 H new ATOM 0 HB2 PRO A 46 -7.223 31.006 4.170 1.00100.00 H new ATOM 0 HB3 PRO A 46 -6.246 30.222 5.395 1.00100.00 H new ATOM 0 HG2 PRO A 46 -9.295 30.592 5.378 1.00100.00 H new ATOM 0 HG3 PRO A 46 -8.397 29.120 5.692 1.00100.00 H new ATOM 0 HD2 PRO A 46 -9.273 30.706 7.749 1.00100.00 H new ATOM 0 HD3 PRO A 46 -7.780 29.798 7.878 1.00100.00 H new ATOM 715 N GLU A 47 -7.434 33.712 4.184 1.00100.00 N ATOM 716 CA GLU A 47 -8.113 34.726 3.416 1.00100.00 C ATOM 717 C GLU A 47 -9.481 34.259 2.994 1.00100.00 C ATOM 718 O GLU A 47 -10.445 35.019 3.116 1.00100.00 O ATOM 719 CB GLU A 47 -7.343 35.113 2.136 1.00100.00 C ATOM 720 CG GLU A 47 -5.913 35.537 2.474 1.00100.00 C ATOM 721 CD GLU A 47 -5.901 36.689 3.470 1.00100.00 C ATOM 722 OE1 GLU A 47 -6.041 37.841 3.008 1.00100.00 O ATOM 723 OE2 GLU A 47 -5.756 36.393 4.676 1.00100.00 O ATOM 0 H GLU A 47 -6.578 33.377 3.742 1.00100.00 H new ATOM 0 HA GLU A 47 -8.183 35.593 4.072 1.00100.00 H new ATOM 0 HB2 GLU A 47 -7.324 34.268 1.447 1.00100.00 H new ATOM 0 HB3 GLU A 47 -7.859 35.928 1.627 1.00100.00 H new ATOM 0 HG2 GLU A 47 -5.368 34.689 2.888 1.00100.00 H new ATOM 0 HG3 GLU A 47 -5.394 35.835 1.563 1.00100.00 H new ATOM 730 N GLU A 48 -9.588 32.989 2.525 1.00100.00 N ATOM 731 CA GLU A 48 -10.850 32.448 2.094 1.00100.00 C ATOM 732 C GLU A 48 -11.282 31.463 3.139 1.00100.00 C ATOM 733 O GLU A 48 -10.750 30.358 3.230 1.00100.00 O ATOM 734 CB GLU A 48 -10.753 31.674 0.749 1.00100.00 C ATOM 735 CG GLU A 48 -10.347 32.594 -0.401 1.00100.00 C ATOM 736 CD GLU A 48 -11.413 33.652 -0.662 1.00100.00 C ATOM 737 OE1 GLU A 48 -12.555 33.244 -0.966 1.00100.00 O ATOM 738 OE2 GLU A 48 -11.067 34.848 -0.554 1.00100.00 O ATOM 0 H GLU A 48 -8.803 32.343 2.446 1.00100.00 H new ATOM 0 HA GLU A 48 -11.543 33.277 1.954 1.00100.00 H new ATOM 0 HB2 GLU A 48 -10.026 30.867 0.844 1.00100.00 H new ATOM 0 HB3 GLU A 48 -11.714 31.212 0.524 1.00100.00 H new ATOM 0 HG2 GLU A 48 -9.400 33.079 -0.166 1.00100.00 H new ATOM 0 HG3 GLU A 48 -10.188 32.004 -1.304 1.00100.00 H new ATOM 745 N LEU A 49 -12.228 31.889 4.000 1.00100.00 N ATOM 746 CA LEU A 49 -12.783 31.062 5.042 1.00100.00 C ATOM 747 C LEU A 49 -13.673 29.974 4.514 1.00100.00 C ATOM 748 O LEU A 49 -13.656 28.843 5.005 1.00100.00 O ATOM 749 CB LEU A 49 -13.572 31.859 6.097 1.00100.00 C ATOM 750 CG LEU A 49 -12.684 32.891 6.800 1.00100.00 C ATOM 751 CD1 LEU A 49 -13.530 33.681 7.796 1.00100.00 C ATOM 752 CD2 LEU A 49 -11.540 32.213 7.555 1.00100.00 C ATOM 0 H LEU A 49 -12.619 32.831 3.975 1.00100.00 H new ATOM 0 HA LEU A 49 -11.908 30.616 5.515 1.00100.00 H new ATOM 0 HB2 LEU A 49 -14.412 32.365 5.620 1.00100.00 H new ATOM 0 HB3 LEU A 49 -13.990 31.174 6.835 1.00100.00 H new ATOM 0 HG LEU A 49 -12.260 33.551 6.043 1.00100.00 H new ATOM 0 HD11 LEU A 49 -12.905 34.418 8.301 1.00100.00 H new ATOM 0 HD12 LEU A 49 -14.335 34.190 7.266 1.00100.00 H new ATOM 0 HD13 LEU A 49 -13.955 33.000 8.533 1.00100.00 H new ATOM 0 HD21 LEU A 49 -10.927 32.971 8.044 1.00100.00 H new ATOM 0 HD22 LEU A 49 -11.950 31.538 8.306 1.00100.00 H new ATOM 0 HD23 LEU A 49 -10.927 31.647 6.854 1.00100.00 H new ATOM 764 N LEU A 50 -14.469 30.329 3.484 1.00100.00 N ATOM 765 CA LEU A 50 -15.430 29.476 2.840 1.00100.00 C ATOM 766 C LEU A 50 -14.828 28.284 2.163 1.00100.00 C ATOM 767 O LEU A 50 -13.746 28.358 1.581 1.00100.00 O ATOM 768 CB LEU A 50 -16.226 30.219 1.745 1.00100.00 C ATOM 769 CG LEU A 50 -16.897 31.480 2.294 1.00100.00 C ATOM 770 CD1 LEU A 50 -17.639 32.180 1.156 1.00100.00 C ATOM 771 CD2 LEU A 50 -17.891 31.136 3.402 1.00100.00 C ATOM 0 H LEU A 50 -14.441 31.264 3.077 1.00100.00 H new ATOM 0 HA LEU A 50 -16.070 29.155 3.662 1.00100.00 H new ATOM 0 HB2 LEU A 50 -15.557 30.489 0.928 1.00100.00 H new ATOM 0 HB3 LEU A 50 -16.984 29.554 1.331 1.00100.00 H new ATOM 0 HG LEU A 50 -16.129 32.131 2.711 1.00100.00 H new ATOM 0 HD11 LEU A 50 -18.121 33.081 1.536 1.00100.00 H new ATOM 0 HD12 LEU A 50 -16.931 32.450 0.372 1.00100.00 H new ATOM 0 HD13 LEU A 50 -18.394 31.509 0.747 1.00100.00 H new ATOM 0 HD21 LEU A 50 -18.353 32.051 3.774 1.00100.00 H new ATOM 0 HD22 LEU A 50 -18.662 30.475 3.007 1.00100.00 H new ATOM 0 HD23 LEU A 50 -17.368 30.636 4.218 1.00100.00 H new HETATM 783 N TPO A 51 -15.548 27.144 2.266 1.00100.00 N HETATM 784 CA TPO A 51 -15.176 25.898 1.650 1.00100.00 C HETATM 785 CB TPO A 51 -15.992 24.745 2.197 1.00100.00 C HETATM 786 CG2 TPO A 51 -15.613 23.454 1.472 1.00100.00 C HETATM 787 OG1 TPO A 51 -15.736 24.605 3.576 1.00100.00 O HETATM 788 P TPO A 51 -16.627 23.403 4.138 1.00100.00 P HETATM 789 O1P TPO A 51 -16.291 22.215 3.464 1.00 0.00 O HETATM 790 O2P TPO A 51 -16.387 23.245 5.515 1.00 0.00 O HETATM 791 O3P TPO A 51 -17.988 23.691 3.929 1.00 0.00 O HETATM 792 C TPO A 51 -15.414 26.073 0.171 1.00100.00 C HETATM 793 O TPO A 51 -16.458 26.590 -0.239 1.00100.00 O HETATM 0 HG23 TPO A 51 -15.813 23.563 0.406 1.00100.00 H new HETATM 0 HG22 TPO A 51 -14.553 23.249 1.623 1.00100.00 H new HETATM 0 HG21 TPO A 51 -16.202 22.627 1.869 1.00100.00 H new HETATM 0 HB TPO A 51 -17.052 24.945 2.041 1.00100.00 H new HETATM 0 HA TPO A 51 -14.134 25.657 1.859 1.00100.00 H new HETATM 0 H TPO A 51 -16.281 27.163 2.975 1.00100.00 H new ATOM 800 N ASP A 52 -14.423 25.643 -0.648 1.00100.00 N ATOM 801 CA ASP A 52 -14.486 25.755 -2.083 1.00100.00 C ATOM 802 C ASP A 52 -15.539 24.824 -2.620 1.00100.00 C ATOM 803 O ASP A 52 -15.624 23.655 -2.235 1.00100.00 O ATOM 804 CB ASP A 52 -13.124 25.458 -2.765 1.00100.00 C ATOM 805 CG ASP A 52 -13.140 25.794 -4.252 1.00100.00 C ATOM 806 OD1 ASP A 52 -13.806 25.052 -5.007 1.00100.00 O ATOM 807 OD2 ASP A 52 -12.479 26.793 -4.609 1.00100.00 O ATOM 0 H ASP A 52 -13.564 25.211 -0.307 1.00100.00 H new ATOM 0 HA ASP A 52 -14.744 26.788 -2.315 1.00100.00 H new ATOM 0 HB2 ASP A 52 -12.340 26.033 -2.273 1.00100.00 H new ATOM 0 HB3 ASP A 52 -12.876 24.405 -2.635 1.00100.00 H new ATOM 812 N GLY A 53 -16.377 25.383 -3.518 1.00100.00 N ATOM 813 CA GLY A 53 -17.448 24.687 -4.170 1.00100.00 C ATOM 814 C GLY A 53 -16.938 24.450 -5.547 1.00100.00 C ATOM 815 O GLY A 53 -16.195 23.492 -5.768 1.00100.00 O ATOM 0 H GLY A 53 -16.305 26.360 -3.801 1.00100.00 H new ATOM 0 HA2 GLY A 53 -17.681 23.750 -3.664 1.00100.00 H new ATOM 0 HA3 GLY A 53 -18.362 25.280 -4.180 1.00100.00 H new ATOM 819 N GLU A 54 -17.358 25.307 -6.510 1.00100.00 N ATOM 820 CA GLU A 54 -16.886 25.172 -7.860 1.00100.00 C ATOM 821 C GLU A 54 -16.148 26.431 -8.206 1.00100.00 C ATOM 822 O GLU A 54 -16.752 27.468 -8.489 1.00100.00 O ATOM 823 CB GLU A 54 -17.980 24.863 -8.921 1.00100.00 C ATOM 824 CG GLU A 54 -18.639 23.523 -8.596 1.00100.00 C ATOM 825 CD GLU A 54 -19.688 23.164 -9.639 1.00100.00 C ATOM 826 OE1 GLU A 54 -20.763 23.800 -9.605 1.00100.00 O ATOM 827 OE2 GLU A 54 -19.395 22.260 -10.451 1.00100.00 O ATOM 0 H GLU A 54 -18.010 26.076 -6.356 1.00100.00 H new ATOM 0 HA GLU A 54 -16.241 24.294 -7.892 1.00100.00 H new ATOM 0 HB2 GLU A 54 -18.728 25.656 -8.930 1.00100.00 H new ATOM 0 HB3 GLU A 54 -17.538 24.831 -9.917 1.00100.00 H new ATOM 0 HG2 GLU A 54 -17.880 22.741 -8.554 1.00100.00 H new ATOM 0 HG3 GLU A 54 -19.102 23.571 -7.611 1.00100.00 H new ATOM 834 N ASP A 55 -14.793 26.329 -8.168 1.00100.00 N ATOM 835 CA ASP A 55 -13.840 27.379 -8.466 1.00100.00 C ATOM 836 C ASP A 55 -14.100 28.643 -7.676 1.00100.00 C ATOM 837 O ASP A 55 -13.991 29.756 -8.199 1.00100.00 O ATOM 838 CB ASP A 55 -13.728 27.705 -9.987 1.00100.00 C ATOM 839 CG ASP A 55 -13.292 26.473 -10.769 1.00100.00 C ATOM 840 OD1 ASP A 55 -12.184 25.975 -10.470 1.00100.00 O ATOM 841 OD2 ASP A 55 -14.072 26.051 -11.649 1.00100.00 O ATOM 0 H ASP A 55 -14.333 25.455 -7.912 1.00100.00 H new ATOM 0 HA ASP A 55 -12.878 26.973 -8.152 1.00100.00 H new ATOM 0 HB2 ASP A 55 -14.689 28.058 -10.360 1.00100.00 H new ATOM 0 HB3 ASP A 55 -13.011 28.512 -10.140 1.00100.00 H new ATOM 846 N ASP A 56 -14.464 28.487 -6.379 1.00100.00 N ATOM 847 CA ASP A 56 -14.739 29.607 -5.505 1.00100.00 C ATOM 848 C ASP A 56 -13.508 30.428 -5.252 1.00100.00 C ATOM 849 O ASP A 56 -13.573 31.659 -5.254 1.00100.00 O ATOM 850 CB ASP A 56 -15.352 29.204 -4.144 1.00100.00 C ATOM 851 CG ASP A 56 -16.747 28.604 -4.293 1.00100.00 C ATOM 852 OD1 ASP A 56 -17.286 28.658 -5.420 1.00100.00 O ATOM 853 OD2 ASP A 56 -17.255 28.108 -3.265 1.00100.00 O ATOM 0 H ASP A 56 -14.569 27.577 -5.931 1.00100.00 H new ATOM 0 HA ASP A 56 -15.481 30.197 -6.043 1.00100.00 H new ATOM 0 HB2 ASP A 56 -14.699 28.482 -3.653 1.00100.00 H new ATOM 0 HB3 ASP A 56 -15.403 30.080 -3.497 1.00100.00 H new ATOM 858 N VAL A 57 -12.355 29.746 -5.048 1.00100.00 N ATOM 859 CA VAL A 57 -11.092 30.391 -4.796 1.00100.00 C ATOM 860 C VAL A 57 -10.603 31.053 -6.065 1.00100.00 C ATOM 861 O VAL A 57 -10.900 30.599 -7.173 1.00100.00 O ATOM 862 CB VAL A 57 -10.067 29.444 -4.179 1.00100.00 C ATOM 863 CG1 VAL A 57 -9.592 28.409 -5.200 1.00100.00 C ATOM 864 CG2 VAL A 57 -8.866 30.210 -3.624 1.00100.00 C ATOM 0 H VAL A 57 -12.300 28.728 -5.058 1.00100.00 H new ATOM 0 HA VAL A 57 -11.238 31.168 -4.045 1.00100.00 H new ATOM 0 HB VAL A 57 -10.560 28.927 -3.356 1.00100.00 H new ATOM 0 HG11 VAL A 57 -8.862 27.747 -4.734 1.00100.00 H new ATOM 0 HG12 VAL A 57 -10.443 27.824 -5.548 1.00100.00 H new ATOM 0 HG13 VAL A 57 -9.132 28.918 -6.047 1.00100.00 H new ATOM 0 HG21 VAL A 57 -8.154 29.507 -3.191 1.00100.00 H new ATOM 0 HG22 VAL A 57 -8.384 30.765 -4.429 1.00100.00 H new ATOM 0 HG23 VAL A 57 -9.202 30.906 -2.855 1.00100.00 H new ATOM 874 N PHE A 58 -9.836 32.159 -5.895 1.00100.00 N ATOM 875 CA PHE A 58 -9.264 32.965 -6.949 1.00100.00 C ATOM 876 C PHE A 58 -10.305 33.457 -7.925 1.00100.00 C ATOM 877 O PHE A 58 -10.152 33.348 -9.147 1.00100.00 O ATOM 878 CB PHE A 58 -8.085 32.293 -7.718 1.00100.00 C ATOM 879 CG PHE A 58 -6.938 31.865 -6.835 1.00100.00 C ATOM 880 CD1 PHE A 58 -6.090 32.828 -6.270 1.00100.00 C ATOM 881 CD2 PHE A 58 -6.712 30.503 -6.592 1.00100.00 C ATOM 882 CE1 PHE A 58 -5.021 32.428 -5.456 1.00100.00 C ATOM 883 CE2 PHE A 58 -5.645 30.104 -5.776 1.00100.00 C ATOM 884 CZ PHE A 58 -4.799 31.067 -5.208 1.00100.00 C ATOM 0 H PHE A 58 -9.601 32.511 -4.967 1.00100.00 H new ATOM 0 HA PHE A 58 -8.839 33.819 -6.421 1.00100.00 H new ATOM 0 HB2 PHE A 58 -8.463 31.421 -8.252 1.00100.00 H new ATOM 0 HB3 PHE A 58 -7.711 32.989 -8.469 1.00100.00 H new ATOM 0 HD1 PHE A 58 -6.260 33.877 -6.462 1.00100.00 H new ATOM 0 HD2 PHE A 58 -7.360 29.761 -7.034 1.00100.00 H new ATOM 0 HE1 PHE A 58 -4.368 33.169 -5.020 1.00100.00 H new ATOM 0 HE2 PHE A 58 -5.474 29.055 -5.585 1.00100.00 H new ATOM 0 HZ PHE A 58 -3.976 30.760 -4.579 1.00100.00 H new ATOM 894 N ASP A 59 -11.422 33.995 -7.369 1.00100.00 N ATOM 895 CA ASP A 59 -12.506 34.540 -8.151 1.00100.00 C ATOM 896 C ASP A 59 -12.001 35.705 -8.999 1.00100.00 C ATOM 897 O ASP A 59 -12.292 35.688 -10.196 1.00100.00 O ATOM 898 CB ASP A 59 -13.727 34.949 -7.281 1.00100.00 C ATOM 899 CG ASP A 59 -14.851 35.491 -8.153 1.00100.00 C ATOM 900 OD1 ASP A 59 -15.480 34.663 -8.847 1.00100.00 O ATOM 901 OD2 ASP A 59 -15.058 36.723 -8.114 1.00100.00 O ATOM 0 H ASP A 59 -11.573 34.052 -6.362 1.00100.00 H new ATOM 0 HA ASP A 59 -12.865 33.753 -8.814 1.00100.00 H new ATOM 0 HB2 ASP A 59 -14.082 34.087 -6.715 1.00100.00 H new ATOM 0 HB3 ASP A 59 -13.426 35.705 -6.555 1.00100.00 H new ATOM 906 N PRO A 60 -11.225 36.717 -8.473 1.00100.00 N ATOM 907 CA PRO A 60 -10.693 37.781 -9.301 1.00100.00 C ATOM 908 C PRO A 60 -9.571 37.233 -10.153 1.00100.00 C ATOM 909 O PRO A 60 -8.957 36.234 -9.762 1.00100.00 O ATOM 910 CB PRO A 60 -10.234 38.880 -8.341 1.00100.00 C ATOM 911 CG PRO A 60 -9.844 38.069 -7.105 1.00100.00 C ATOM 912 CD PRO A 60 -10.852 36.918 -7.086 1.00100.00 C ATOM 0 HA PRO A 60 -11.428 38.193 -9.993 1.00100.00 H new ATOM 0 HB2 PRO A 60 -9.393 39.447 -8.740 1.00100.00 H new ATOM 0 HB3 PRO A 60 -11.028 39.595 -8.127 1.00100.00 H new ATOM 0 HG2 PRO A 60 -8.820 37.702 -7.175 1.00100.00 H new ATOM 0 HG3 PRO A 60 -9.906 38.669 -6.197 1.00100.00 H new ATOM 0 HD2 PRO A 60 -10.412 36.016 -6.662 1.00100.00 H new ATOM 0 HD3 PRO A 60 -11.721 37.165 -6.476 1.00100.00 H new ATOM 920 N ASP A 61 -9.284 37.880 -11.306 1.00100.00 N ATOM 921 CA ASP A 61 -8.241 37.427 -12.190 1.00100.00 C ATOM 922 C ASP A 61 -6.896 37.597 -11.546 1.00100.00 C ATOM 923 O ASP A 61 -6.583 38.647 -10.976 1.00100.00 O ATOM 924 CB ASP A 61 -8.197 38.136 -13.568 1.00100.00 C ATOM 925 CG ASP A 61 -9.518 37.968 -14.306 1.00100.00 C ATOM 926 OD1 ASP A 61 -9.978 36.808 -14.390 1.00100.00 O ATOM 927 OD2 ASP A 61 -10.045 39.001 -14.770 1.00100.00 O ATOM 0 H ASP A 61 -9.773 38.716 -11.626 1.00100.00 H new ATOM 0 HA ASP A 61 -8.478 36.379 -12.372 1.00100.00 H new ATOM 0 HB2 ASP A 61 -7.985 39.196 -13.430 1.00100.00 H new ATOM 0 HB3 ASP A 61 -7.385 37.724 -14.168 1.00100.00 H new ATOM 932 N LEU A 62 -6.095 36.513 -11.609 1.00100.00 N ATOM 933 CA LEU A 62 -4.777 36.486 -11.044 1.00100.00 C ATOM 934 C LEU A 62 -3.825 36.319 -12.196 1.00100.00 C ATOM 935 O LEU A 62 -2.940 37.156 -12.389 1.00100.00 O ATOM 936 CB LEU A 62 -4.631 35.317 -10.034 1.00100.00 C ATOM 937 CG LEU A 62 -3.196 35.164 -9.523 1.00100.00 C ATOM 938 CD1 LEU A 62 -2.766 36.402 -8.736 1.00100.00 C ATOM 939 CD2 LEU A 62 -3.120 33.935 -8.616 1.00100.00 C ATOM 0 H LEU A 62 -6.368 35.640 -12.060 1.00100.00 H new ATOM 0 HA LEU A 62 -4.569 37.403 -10.492 1.00100.00 H new ATOM 0 HB2 LEU A 62 -5.299 35.485 -9.189 1.00100.00 H new ATOM 0 HB3 LEU A 62 -4.946 34.388 -10.509 1.00100.00 H new ATOM 0 HG LEU A 62 -2.528 35.047 -10.376 1.00100.00 H new ATOM 0 HD11 LEU A 62 -1.743 36.271 -8.382 1.00100.00 H new ATOM 0 HD12 LEU A 62 -2.818 37.279 -9.381 1.00100.00 H new ATOM 0 HD13 LEU A 62 -3.430 36.539 -7.883 1.00100.00 H new ATOM 0 HD21 LEU A 62 -2.101 33.818 -8.247 1.00100.00 H new ATOM 0 HD22 LEU A 62 -3.799 34.062 -7.773 1.00100.00 H new ATOM 0 HD23 LEU A 62 -3.406 33.048 -9.181 1.00100.00 H new ATOM 951 N ASP A 63 -4.019 35.249 -13.002 1.00100.00 N ATOM 952 CA ASP A 63 -3.195 34.957 -14.146 1.00100.00 C ATOM 953 C ASP A 63 -4.113 34.735 -15.318 1.00100.00 C ATOM 954 O ASP A 63 -5.268 34.335 -15.152 1.00100.00 O ATOM 955 CB ASP A 63 -2.329 33.677 -13.960 1.00100.00 C ATOM 956 CG ASP A 63 -1.290 33.497 -15.061 1.00100.00 C ATOM 957 OD1 ASP A 63 -0.923 34.516 -15.686 1.00100.00 O ATOM 958 OD2 ASP A 63 -0.863 32.336 -15.244 1.00100.00 O ATOM 0 H ASP A 63 -4.767 34.571 -12.855 1.00100.00 H new ATOM 0 HA ASP A 63 -2.512 35.794 -14.294 1.00100.00 H new ATOM 0 HB2 ASP A 63 -1.824 33.723 -12.995 1.00100.00 H new ATOM 0 HB3 ASP A 63 -2.981 32.804 -13.937 1.00100.00 H new ATOM 963 N MET A 64 -3.613 35.044 -16.539 1.00100.00 N ATOM 964 CA MET A 64 -4.347 34.875 -17.768 1.00100.00 C ATOM 965 C MET A 64 -4.635 33.424 -18.037 1.00100.00 C ATOM 966 O MET A 64 -5.754 33.083 -18.426 1.00100.00 O ATOM 967 CB MET A 64 -3.649 35.487 -18.994 1.00100.00 C ATOM 968 CG MET A 64 -3.400 36.980 -18.777 1.00100.00 C ATOM 969 SD MET A 64 -4.877 37.947 -18.366 1.00100.00 S ATOM 970 CE MET A 64 -5.884 37.597 -19.829 1.00100.00 C ATOM 0 H MET A 64 -2.675 35.421 -16.675 1.00100.00 H new ATOM 0 HA MET A 64 -5.280 35.419 -17.619 1.00100.00 H new ATOM 0 HB2 MET A 64 -2.703 34.977 -19.174 1.00100.00 H new ATOM 0 HB3 MET A 64 -4.264 35.340 -19.882 1.00100.00 H new ATOM 0 HG2 MET A 64 -2.671 37.099 -17.976 1.00100.00 H new ATOM 0 HG3 MET A 64 -2.952 37.394 -19.680 1.00100.00 H new ATOM 0 HE1 MET A 64 -6.729 38.285 -19.862 1.00100.00 H new ATOM 0 HE2 MET A 64 -5.278 37.722 -20.726 1.00100.00 H new ATOM 0 HE3 MET A 64 -6.253 36.572 -19.780 1.00100.00 H new ATOM 980 N GLU A 65 -3.645 32.540 -17.759 1.00100.00 N ATOM 981 CA GLU A 65 -3.803 31.125 -17.953 1.00100.00 C ATOM 982 C GLU A 65 -4.543 30.646 -16.737 1.00100.00 C ATOM 983 O GLU A 65 -4.118 30.901 -15.605 1.00100.00 O ATOM 984 CB GLU A 65 -2.452 30.392 -18.068 1.00100.00 C ATOM 985 CG GLU A 65 -2.693 28.923 -18.415 1.00100.00 C ATOM 986 CD GLU A 65 -1.392 28.129 -18.474 1.00100.00 C ATOM 987 OE1 GLU A 65 -0.325 28.773 -18.572 1.00100.00 O ATOM 988 OE2 GLU A 65 -1.491 26.884 -18.421 1.00100.00 O ATOM 0 H GLU A 65 -2.731 32.811 -17.398 1.00100.00 H new ATOM 0 HA GLU A 65 -4.332 30.921 -18.884 1.00100.00 H new ATOM 0 HB2 GLU A 65 -1.837 30.861 -18.836 1.00100.00 H new ATOM 0 HB3 GLU A 65 -1.904 30.469 -17.129 1.00100.00 H new ATOM 0 HG2 GLU A 65 -3.355 28.479 -17.672 1.00100.00 H new ATOM 0 HG3 GLU A 65 -3.202 28.856 -19.376 1.00100.00 H new ATOM 995 N VAL A 66 -5.694 29.968 -16.967 1.00100.00 N ATOM 996 CA VAL A 66 -6.483 29.491 -15.865 1.00100.00 C ATOM 997 C VAL A 66 -6.144 28.048 -15.642 1.00100.00 C ATOM 998 O VAL A 66 -6.448 27.167 -16.451 1.00100.00 O ATOM 999 CB VAL A 66 -7.987 29.689 -16.030 1.00100.00 C ATOM 1000 CG1 VAL A 66 -8.720 29.182 -14.789 1.00100.00 C ATOM 1001 CG2 VAL A 66 -8.287 31.175 -16.223 1.00100.00 C ATOM 0 H VAL A 66 -6.068 29.756 -17.892 1.00100.00 H new ATOM 0 HA VAL A 66 -6.230 30.093 -14.992 1.00100.00 H new ATOM 0 HB VAL A 66 -8.327 29.129 -16.901 1.00100.00 H new ATOM 0 HG11 VAL A 66 -9.793 29.327 -14.915 1.00100.00 H new ATOM 0 HG12 VAL A 66 -8.511 28.121 -14.651 1.00100.00 H new ATOM 0 HG13 VAL A 66 -8.380 29.735 -13.914 1.00100.00 H new ATOM 0 HG21 VAL A 66 -9.361 31.317 -16.341 1.00100.00 H new ATOM 0 HG22 VAL A 66 -7.941 31.732 -15.352 1.00100.00 H new ATOM 0 HG23 VAL A 66 -7.773 31.537 -17.113 1.00100.00 H new ATOM 1011 N VAL A 67 -5.449 27.828 -14.511 1.00100.00 N ATOM 1012 CA VAL A 67 -5.015 26.547 -14.016 1.00100.00 C ATOM 1013 C VAL A 67 -5.502 26.617 -12.590 1.00100.00 C ATOM 1014 O VAL A 67 -5.393 27.666 -11.948 1.00100.00 O ATOM 1015 CB VAL A 67 -3.499 26.357 -13.986 1.00100.00 C ATOM 1016 CG1 VAL A 67 -3.144 24.960 -13.477 1.00100.00 C ATOM 1017 CG2 VAL A 67 -2.931 26.541 -15.392 1.00100.00 C ATOM 0 H VAL A 67 -5.169 28.594 -13.898 1.00100.00 H new ATOM 0 HA VAL A 67 -5.384 25.733 -14.639 1.00100.00 H new ATOM 0 HB VAL A 67 -3.069 27.099 -13.313 1.00100.00 H new ATOM 0 HG11 VAL A 67 -2.060 24.843 -13.462 1.00100.00 H new ATOM 0 HG12 VAL A 67 -3.537 24.829 -12.469 1.00100.00 H new ATOM 0 HG13 VAL A 67 -3.581 24.210 -14.137 1.00100.00 H new ATOM 0 HG21 VAL A 67 -1.850 26.405 -15.368 1.00100.00 H new ATOM 0 HG22 VAL A 67 -3.375 25.805 -16.063 1.00100.00 H new ATOM 0 HG23 VAL A 67 -3.163 27.544 -15.750 1.00100.00 H new ATOM 1027 N PHE A 68 -6.096 25.519 -12.062 1.00100.00 N ATOM 1028 CA PHE A 68 -6.578 25.509 -10.699 1.00100.00 C ATOM 1029 C PHE A 68 -5.387 25.650 -9.761 1.00100.00 C ATOM 1030 O PHE A 68 -5.437 26.418 -8.799 1.00100.00 O ATOM 1031 CB PHE A 68 -7.428 24.253 -10.363 1.00100.00 C ATOM 1032 CG PHE A 68 -8.134 24.392 -9.033 1.00100.00 C ATOM 1033 CD1 PHE A 68 -9.223 25.271 -8.918 1.00100.00 C ATOM 1034 CD2 PHE A 68 -7.695 23.674 -7.912 1.00100.00 C ATOM 1035 CE1 PHE A 68 -9.871 25.432 -7.687 1.00100.00 C ATOM 1036 CE2 PHE A 68 -8.350 23.831 -6.682 1.00100.00 C ATOM 1037 CZ PHE A 68 -9.434 24.712 -6.567 1.00100.00 C ATOM 0 H PHE A 68 -6.242 24.647 -12.570 1.00100.00 H new ATOM 0 HA PHE A 68 -7.255 26.353 -10.568 1.00100.00 H new ATOM 0 HB2 PHE A 68 -8.164 24.091 -11.150 1.00100.00 H new ATOM 0 HB3 PHE A 68 -6.785 23.373 -10.343 1.00100.00 H new ATOM 0 HD1 PHE A 68 -9.562 25.824 -9.781 1.00100.00 H new ATOM 0 HD2 PHE A 68 -6.854 23.001 -7.995 1.00100.00 H new ATOM 0 HE1 PHE A 68 -10.707 26.110 -7.601 1.00100.00 H new ATOM 0 HE2 PHE A 68 -8.018 23.271 -5.820 1.00100.00 H new ATOM 0 HZ PHE A 68 -9.932 24.836 -5.617 1.00100.00 H new ATOM 1047 N GLU A 69 -4.273 24.936 -10.067 1.00100.00 N ATOM 1048 CA GLU A 69 -3.070 24.981 -9.280 1.00100.00 C ATOM 1049 C GLU A 69 -2.226 26.148 -9.732 1.00100.00 C ATOM 1050 O GLU A 69 -1.346 26.011 -10.587 1.00100.00 O ATOM 1051 CB GLU A 69 -2.237 23.688 -9.395 1.00100.00 C ATOM 1052 CG GLU A 69 -3.013 22.496 -8.844 1.00100.00 C ATOM 1053 CD GLU A 69 -2.174 21.226 -8.920 1.00100.00 C ATOM 1054 OE1 GLU A 69 -1.857 20.823 -10.060 1.00100.00 O ATOM 1055 OE2 GLU A 69 -1.865 20.685 -7.837 1.00100.00 O ATOM 0 H GLU A 69 -4.211 24.318 -10.876 1.00100.00 H new ATOM 0 HA GLU A 69 -3.368 25.090 -8.237 1.00100.00 H new ATOM 0 HB2 GLU A 69 -1.977 23.508 -10.438 1.00100.00 H new ATOM 0 HB3 GLU A 69 -1.301 23.803 -8.849 1.00100.00 H new ATOM 0 HG2 GLU A 69 -3.298 22.688 -7.810 1.00100.00 H new ATOM 0 HG3 GLU A 69 -3.935 22.363 -9.410 1.00100.00 H new ATOM 1062 N THR A 70 -2.522 27.345 -9.183 1.00100.00 N ATOM 1063 CA THR A 70 -1.784 28.539 -9.498 1.00100.00 C ATOM 1064 C THR A 70 -1.321 29.077 -8.176 1.00100.00 C ATOM 1065 O THR A 70 -2.072 29.109 -7.197 1.00100.00 O ATOM 1066 CB THR A 70 -2.581 29.611 -10.231 1.00100.00 C ATOM 1067 OG1 THR A 70 -3.020 29.091 -11.466 1.00100.00 O ATOM 1068 CG2 THR A 70 -1.724 30.849 -10.493 1.00100.00 C ATOM 0 H THR A 70 -3.279 27.488 -8.515 1.00100.00 H new ATOM 0 HA THR A 70 -0.977 28.282 -10.184 1.00100.00 H new ATOM 0 HB THR A 70 -3.429 29.899 -9.610 1.00100.00 H new ATOM 0 HG1 THR A 70 -3.888 28.653 -11.346 1.00100.00 H new ATOM 0 HG21 THR A 70 -2.317 31.598 -11.017 1.00100.00 H new ATOM 0 HG22 THR A 70 -1.378 31.259 -9.544 1.00100.00 H new ATOM 0 HG23 THR A 70 -0.865 30.574 -11.105 1.00100.00 H new ATOM 1076 N GLN A 71 -0.030 29.464 -8.125 1.00100.00 N ATOM 1077 CA GLN A 71 0.557 30.019 -6.943 1.00100.00 C ATOM 1078 C GLN A 71 0.764 31.499 -7.271 1.00100.00 C ATOM 1079 O GLN A 71 1.378 31.803 -8.330 1.00100.00 O ATOM 1080 CB GLN A 71 1.916 29.390 -6.579 1.00100.00 C ATOM 1081 CG GLN A 71 1.782 27.905 -6.229 1.00100.00 C ATOM 1082 CD GLN A 71 1.384 27.062 -7.436 1.00100.00 C ATOM 1083 OE1 GLN A 71 1.882 27.273 -8.540 1.00100.00 O ATOM 1084 NE2 GLN A 71 0.478 26.105 -7.224 1.00100.00 N ATOM 1085 OXT GLN A 71 0.305 32.330 -6.458 1.00100.00 O ATOM 0 H GLN A 71 0.613 29.390 -8.914 1.00100.00 H new ATOM 0 HA GLN A 71 -0.091 29.836 -6.086 1.00100.00 H new ATOM 0 HB2 GLN A 71 2.605 29.505 -7.416 1.00100.00 H new ATOM 0 HB3 GLN A 71 2.349 29.925 -5.734 1.00100.00 H new ATOM 0 HG2 GLN A 71 2.729 27.541 -5.830 1.00100.00 H new ATOM 0 HG3 GLN A 71 1.037 27.785 -5.442 1.00100.00 H new ATOM 0 HE21 GLN A 71 0.092 25.966 -6.290 1.00100.00 H new ATOM 0 HE22 GLN A 71 0.172 25.513 -7.996 1.00100.00 H new TER 1094 GLN A 71 HETATM 1095 ZN ZN A 101 -11.371 18.855 -2.098 1.00 73.25 ZN