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 NoAdj-H: A 51 TPO H : A 51 TPO N : A 51 TPO O2P :(H bumps) USER MOD Set 1.1: A 16 HIS : no HD1:sc= -0.643 X(o=-0.64,f=-0.5) 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 2.1: A 14 CYS SG : rot 75:sc= 1.01! USER MOD Set 2.2: A 23 CYS SG : rot 61:sc= 1.49 USER MOD Single : A 1 GLY N :NH3+ 152:sc= 0.776 (180deg=0.375) USER MOD Single : A 2 SER OG : rot -152:sc= 0.553 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 139:sc= -0.33 (180deg=-0.802) USER MOD Single : A 7 THR OG1 : rot 156:sc= 0.201 USER MOD Single : A 8 THR OG1 : rot 80:sc= 0.813 USER MOD Single : A 9 MET CE :methyl -159:sc= -0.0737 (180deg=-1.02) USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.87) 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= -1.12 USER MOD Single : A 27 SER OG : rot 150:sc= -0.0805 USER MOD Single : A 30 GLN : amide:sc= -2.43! C(o=-2.4!,f=-4.6!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -2.98! C(o=-3!,f=-3.8!) 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= -0.0564 (180deg=-0.385) USER MOD Single : A 70 THR OG1 : rot 81:sc= 0.76 USER MOD Single : A 71 GLN : amide:sc= -0.764 X(o=-0.76,f=-0.76) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.944 10.521 4.114 1.00100.00 N ATOM 2 CA GLY A 1 -20.696 9.786 3.829 1.00100.00 C ATOM 3 C GLY A 1 -19.798 10.664 3.028 1.00100.00 C ATOM 4 O GLY A 1 -19.960 10.758 1.810 1.00100.00 O ATOM 0 H1 GLY A 1 -22.726 9.845 4.228 1.00100.00 H new ATOM 0 H2 GLY A 1 -21.831 11.071 4.990 1.00100.00 H new ATOM 0 H3 GLY A 1 -22.155 11.165 3.325 1.00100.00 H new ATOM 0 HA2 GLY A 1 -20.208 9.494 4.759 1.00100.00 H new ATOM 0 HA3 GLY A 1 -20.914 8.869 3.282 1.00100.00 H new ATOM 10 N SER A 2 -18.681 11.087 3.671 1.00100.00 N ATOM 11 CA SER A 2 -17.673 11.956 3.107 1.00100.00 C ATOM 12 C SER A 2 -18.282 13.234 2.568 1.00100.00 C ATOM 13 O SER A 2 -18.061 13.606 1.415 1.00100.00 O ATOM 14 CB SER A 2 -16.776 11.246 2.050 1.00100.00 C ATOM 15 OG SER A 2 -15.675 12.066 1.727 1.00100.00 O ATOM 0 H SER A 2 -18.470 10.810 4.630 1.00100.00 H new ATOM 0 HA SER A 2 -17.007 12.227 3.926 1.00100.00 H new ATOM 0 HB2 SER A 2 -16.427 10.290 2.440 1.00100.00 H new ATOM 0 HB3 SER A 2 -17.356 11.031 1.153 1.00100.00 H new ATOM 0 HG SER A 2 -15.384 11.877 0.810 1.00100.00 H new ATOM 21 N THR A 3 -19.091 13.922 3.426 1.00100.00 N ATOM 22 CA THR A 3 -19.816 15.158 3.171 1.00100.00 C ATOM 23 C THR A 3 -21.004 14.891 2.278 1.00100.00 C ATOM 24 O THR A 3 -22.135 15.206 2.652 1.00100.00 O ATOM 25 CB THR A 3 -18.953 16.303 2.644 1.00100.00 C ATOM 26 OG1 THR A 3 -17.895 16.542 3.544 1.00100.00 O ATOM 27 CG2 THR A 3 -19.785 17.576 2.496 1.00100.00 C ATOM 0 H THR A 3 -19.250 13.585 4.376 1.00100.00 H new ATOM 0 HA THR A 3 -20.168 15.510 4.141 1.00100.00 H new ATOM 0 HB THR A 3 -18.558 16.024 1.667 1.00100.00 H new ATOM 0 HG1 THR A 3 -17.339 17.275 3.207 1.00100.00 H new ATOM 0 HG21 THR A 3 -19.154 18.381 2.120 1.00100.00 H new ATOM 0 HG22 THR A 3 -20.602 17.398 1.797 1.00100.00 H new ATOM 0 HG23 THR A 3 -20.194 17.859 3.466 1.00100.00 H new ATOM 35 N ALA A 4 -20.774 14.267 1.102 1.00100.00 N ATOM 36 CA ALA A 4 -21.788 13.916 0.145 1.00100.00 C ATOM 37 C ALA A 4 -22.596 12.772 0.682 1.00100.00 C ATOM 38 O ALA A 4 -22.256 12.159 1.695 1.00100.00 O ATOM 39 CB ALA A 4 -21.209 13.479 -1.213 1.00100.00 C ATOM 0 H ALA A 4 -19.837 13.994 0.804 1.00100.00 H new ATOM 0 HA ALA A 4 -22.392 14.809 -0.013 1.00100.00 H new ATOM 0 HB1 ALA A 4 -22.024 13.227 -1.892 1.00100.00 H new ATOM 0 HB2 ALA A 4 -20.622 14.293 -1.637 1.00100.00 H new ATOM 0 HB3 ALA A 4 -20.571 12.607 -1.073 1.00100.00 H new ATOM 45 N MET A 5 -23.743 12.489 0.034 1.00100.00 N ATOM 46 CA MET A 5 -24.602 11.418 0.449 1.00100.00 C ATOM 47 C MET A 5 -24.068 10.160 -0.184 1.00100.00 C ATOM 48 O MET A 5 -24.311 9.950 -1.373 1.00100.00 O ATOM 49 CB MET A 5 -26.063 11.615 -0.012 1.00100.00 C ATOM 50 CG MET A 5 -26.715 12.817 0.676 1.00100.00 C ATOM 51 SD MET A 5 -25.987 14.436 0.307 1.00100.00 S ATOM 52 CE MET A 5 -26.166 14.448 -1.495 1.00100.00 C ATOM 0 H MET A 5 -24.077 13.004 -0.781 1.00100.00 H new ATOM 0 HA MET A 5 -24.610 11.376 1.538 1.00100.00 H new ATOM 0 HB2 MET A 5 -26.088 11.756 -1.093 1.00100.00 H new ATOM 0 HB3 MET A 5 -26.638 10.715 0.205 1.00100.00 H new ATOM 0 HG2 MET A 5 -27.768 12.843 0.397 1.00100.00 H new ATOM 0 HG3 MET A 5 -26.674 12.660 1.754 1.00100.00 H new ATOM 0 HE1 MET A 5 -26.480 15.439 -1.823 1.00100.00 H new ATOM 0 HE2 MET A 5 -25.211 14.198 -1.957 1.00100.00 H new ATOM 0 HE3 MET A 5 -26.915 13.714 -1.791 1.00100.00 H new ATOM 62 N ALA A 6 -22.942 9.673 0.403 1.00100.00 N ATOM 63 CA ALA A 6 -22.205 8.481 0.044 1.00100.00 C ATOM 64 C ALA A 6 -21.837 8.402 -1.422 1.00100.00 C ATOM 65 O ALA A 6 -21.901 7.343 -2.051 1.00100.00 O ATOM 66 CB ALA A 6 -22.910 7.189 0.518 1.00100.00 C ATOM 0 H ALA A 6 -22.514 10.155 1.194 1.00100.00 H new ATOM 0 HA ALA A 6 -21.262 8.564 0.584 1.00100.00 H new ATOM 0 HB1 ALA A 6 -22.317 6.323 0.224 1.00100.00 H new ATOM 0 HB2 ALA A 6 -23.013 7.208 1.603 1.00100.00 H new ATOM 0 HB3 ALA A 6 -23.898 7.125 0.061 1.00100.00 H new ATOM 72 N THR A 7 -21.446 9.574 -1.981 1.00100.00 N ATOM 73 CA THR A 7 -21.035 9.801 -3.349 1.00100.00 C ATOM 74 C THR A 7 -22.003 9.334 -4.419 1.00100.00 C ATOM 75 O THR A 7 -21.608 8.880 -5.495 1.00100.00 O ATOM 76 CB THR A 7 -19.607 9.377 -3.640 1.00100.00 C ATOM 77 OG1 THR A 7 -19.429 7.999 -3.395 1.00100.00 O ATOM 78 CG2 THR A 7 -18.711 10.203 -2.716 1.00100.00 C ATOM 0 H THR A 7 -21.415 10.433 -1.431 1.00100.00 H new ATOM 0 HA THR A 7 -21.062 10.888 -3.420 1.00100.00 H new ATOM 0 HB THR A 7 -19.360 9.547 -4.688 1.00100.00 H new ATOM 0 HG1 THR A 7 -18.677 7.666 -3.928 1.00100.00 H new ATOM 0 HG21 THR A 7 -17.668 9.935 -2.886 1.00100.00 H new ATOM 0 HG22 THR A 7 -18.852 11.263 -2.925 1.00100.00 H new ATOM 0 HG23 THR A 7 -18.973 10.000 -1.678 1.00100.00 H new ATOM 86 N THR A 8 -23.315 9.481 -4.137 1.00100.00 N ATOM 87 CA THR A 8 -24.397 9.117 -5.020 1.00100.00 C ATOM 88 C THR A 8 -24.427 9.977 -6.267 1.00100.00 C ATOM 89 O THR A 8 -24.633 9.458 -7.366 1.00100.00 O ATOM 90 CB THR A 8 -25.742 9.170 -4.309 1.00100.00 C ATOM 91 OG1 THR A 8 -25.720 8.284 -3.211 1.00100.00 O ATOM 92 CG2 THR A 8 -26.872 8.761 -5.252 1.00100.00 C ATOM 0 H THR A 8 -23.641 9.872 -3.253 1.00100.00 H new ATOM 0 HA THR A 8 -24.212 8.088 -5.328 1.00100.00 H new ATOM 0 HB THR A 8 -25.917 10.192 -3.973 1.00100.00 H new ATOM 0 HG1 THR A 8 -25.255 8.706 -2.459 1.00100.00 H new ATOM 0 HG21 THR A 8 -27.823 8.807 -4.721 1.00100.00 H new ATOM 0 HG22 THR A 8 -26.899 9.440 -6.104 1.00100.00 H new ATOM 0 HG23 THR A 8 -26.702 7.744 -5.604 1.00100.00 H new ATOM 100 N MET A 9 -24.144 11.295 -6.115 1.00100.00 N ATOM 101 CA MET A 9 -24.208 12.277 -7.174 1.00100.00 C ATOM 102 C MET A 9 -23.310 11.980 -8.353 1.00100.00 C ATOM 103 O MET A 9 -23.802 11.994 -9.482 1.00100.00 O ATOM 104 CB MET A 9 -23.912 13.682 -6.602 1.00100.00 C ATOM 105 CG MET A 9 -24.161 14.784 -7.629 1.00100.00 C ATOM 106 SD MET A 9 -25.901 15.069 -8.040 1.00100.00 S ATOM 107 CE MET A 9 -25.970 14.243 -9.648 1.00100.00 C ATOM 0 H MET A 9 -23.859 11.693 -5.220 1.00100.00 H new ATOM 0 HA MET A 9 -25.223 12.236 -7.569 1.00100.00 H new ATOM 0 HB2 MET A 9 -24.537 13.855 -5.726 1.00100.00 H new ATOM 0 HB3 MET A 9 -22.875 13.726 -6.268 1.00100.00 H new ATOM 0 HG2 MET A 9 -23.735 15.714 -7.252 1.00100.00 H new ATOM 0 HG3 MET A 9 -23.623 14.535 -8.544 1.00100.00 H new ATOM 0 HE1 MET A 9 -26.822 14.620 -10.214 1.00100.00 H new ATOM 0 HE2 MET A 9 -25.051 14.442 -10.199 1.00100.00 H new ATOM 0 HE3 MET A 9 -26.079 13.169 -9.501 1.00100.00 H new ATOM 117 N GLU A 10 -22.037 11.574 -8.113 1.00100.00 N ATOM 118 CA GLU A 10 -21.076 11.215 -9.143 1.00100.00 C ATOM 119 C GLU A 10 -20.824 12.265 -10.214 1.00100.00 C ATOM 120 O GLU A 10 -20.613 11.927 -11.384 1.00100.00 O ATOM 121 CB GLU A 10 -21.439 9.870 -9.847 1.00100.00 C ATOM 122 CG GLU A 10 -21.502 8.741 -8.821 1.00100.00 C ATOM 123 CD GLU A 10 -21.776 7.400 -9.491 1.00100.00 C ATOM 124 OE1 GLU A 10 -22.647 7.376 -10.387 1.00100.00 O ATOM 125 OE2 GLU A 10 -21.109 6.421 -9.092 1.00100.00 O ATOM 0 H GLU A 10 -21.659 11.491 -7.169 1.00100.00 H new ATOM 0 HA GLU A 10 -20.151 11.119 -8.575 1.00100.00 H new ATOM 0 HB2 GLU A 10 -22.399 9.964 -10.355 1.00100.00 H new ATOM 0 HB3 GLU A 10 -20.696 9.638 -10.610 1.00100.00 H new ATOM 0 HG2 GLU A 10 -20.561 8.691 -8.274 1.00100.00 H new ATOM 0 HG3 GLU A 10 -22.284 8.952 -8.092 1.00100.00 H new ATOM 132 N GLN A 11 -20.800 13.570 -9.848 1.00100.00 N ATOM 133 CA GLN A 11 -20.552 14.588 -10.848 1.00100.00 C ATOM 134 C GLN A 11 -19.192 15.228 -10.678 1.00100.00 C ATOM 135 O GLN A 11 -18.939 16.308 -11.215 1.00100.00 O ATOM 136 CB GLN A 11 -21.647 15.684 -10.984 1.00100.00 C ATOM 137 CG GLN A 11 -21.811 16.500 -9.709 1.00100.00 C ATOM 138 CD GLN A 11 -22.912 17.545 -9.843 1.00100.00 C ATOM 139 OE1 GLN A 11 -23.414 17.797 -10.937 1.00100.00 O ATOM 140 NE2 GLN A 11 -23.286 18.159 -8.718 1.00100.00 N ATOM 0 H GLN A 11 -20.946 13.915 -8.899 1.00100.00 H new ATOM 0 HA GLN A 11 -20.583 14.032 -11.785 1.00100.00 H new ATOM 0 HB2 GLN A 11 -21.391 16.350 -11.808 1.00100.00 H new ATOM 0 HB3 GLN A 11 -22.598 15.215 -11.237 1.00100.00 H new ATOM 0 HG2 GLN A 11 -22.042 15.833 -8.878 1.00100.00 H new ATOM 0 HG3 GLN A 11 -20.869 16.993 -9.470 1.00100.00 H new ATOM 0 HE21 GLN A 11 -22.841 17.917 -7.833 1.00100.00 H new ATOM 0 HE22 GLN A 11 -24.017 18.870 -8.744 1.00100.00 H new ATOM 149 N GLU A 12 -18.264 14.533 -9.971 1.00100.00 N ATOM 150 CA GLU A 12 -16.921 14.980 -9.683 1.00100.00 C ATOM 151 C GLU A 12 -16.848 16.313 -8.978 1.00100.00 C ATOM 152 O GLU A 12 -16.254 17.278 -9.468 1.00100.00 O ATOM 153 CB GLU A 12 -15.957 14.924 -10.898 1.00100.00 C ATOM 154 CG GLU A 12 -15.811 13.490 -11.404 1.00100.00 C ATOM 155 CD GLU A 12 -14.807 13.392 -12.547 1.00100.00 C ATOM 156 OE1 GLU A 12 -14.023 14.352 -12.713 1.00100.00 O ATOM 157 OE2 GLU A 12 -14.839 12.350 -13.235 1.00100.00 O ATOM 0 H GLU A 12 -18.462 13.612 -9.581 1.00100.00 H new ATOM 0 HA GLU A 12 -16.561 14.237 -8.971 1.00100.00 H new ATOM 0 HB2 GLU A 12 -16.334 15.561 -11.698 1.00100.00 H new ATOM 0 HB3 GLU A 12 -14.981 15.316 -10.613 1.00100.00 H new ATOM 0 HG2 GLU A 12 -15.492 12.846 -10.584 1.00100.00 H new ATOM 0 HG3 GLU A 12 -16.781 13.123 -11.740 1.00100.00 H new ATOM 164 N ILE A 13 -17.515 16.386 -7.801 1.00100.00 N ATOM 165 CA ILE A 13 -17.518 17.593 -7.011 1.00100.00 C ATOM 166 C ILE A 13 -16.634 17.445 -5.801 1.00100.00 C ATOM 167 O ILE A 13 -16.730 16.486 -5.033 1.00100.00 O ATOM 168 CB ILE A 13 -18.886 18.116 -6.585 1.00100.00 C ATOM 169 CG1 ILE A 13 -19.738 17.113 -5.790 1.00100.00 C ATOM 170 CG2 ILE A 13 -19.596 18.608 -7.840 1.00100.00 C ATOM 171 CD1 ILE A 13 -20.064 15.813 -6.526 1.00100.00 C ATOM 0 H ILE A 13 -18.049 15.616 -7.398 1.00100.00 H new ATOM 0 HA ILE A 13 -17.126 18.347 -7.693 1.00100.00 H new ATOM 0 HB ILE A 13 -18.737 18.930 -5.876 1.00100.00 H new ATOM 0 HG12 ILE A 13 -19.215 16.868 -4.866 1.00100.00 H new ATOM 0 HG13 ILE A 13 -20.673 17.597 -5.508 1.00100.00 H new ATOM 0 HG21 ILE A 13 -20.581 18.991 -7.574 1.00100.00 H new ATOM 0 HG22 ILE A 13 -19.010 19.403 -8.301 1.00100.00 H new ATOM 0 HG23 ILE A 13 -19.705 17.783 -8.544 1.00100.00 H new ATOM 0 HD11 ILE A 13 -20.668 15.172 -5.883 1.00100.00 H new ATOM 0 HD12 ILE A 13 -20.619 16.040 -7.436 1.00100.00 H new ATOM 0 HD13 ILE A 13 -19.138 15.299 -6.784 1.00100.00 H new ATOM 183 N CYS A 14 -15.683 18.394 -5.684 1.00100.00 N ATOM 184 CA CYS A 14 -14.728 18.478 -4.608 1.00100.00 C ATOM 185 C CYS A 14 -14.134 19.858 -4.637 1.00100.00 C ATOM 186 O CYS A 14 -14.317 20.624 -5.588 1.00100.00 O ATOM 187 CB CYS A 14 -13.549 17.480 -4.710 1.00100.00 C ATOM 188 SG CYS A 14 -12.501 17.466 -3.233 1.00100.00 S ATOM 0 H CYS A 14 -15.572 19.140 -6.371 1.00100.00 H new ATOM 0 HA CYS A 14 -15.271 18.241 -3.693 1.00100.00 H new ATOM 0 HB2 CYS A 14 -13.943 16.478 -4.878 1.00100.00 H new ATOM 0 HB3 CYS A 14 -12.940 17.733 -5.578 1.00100.00 H new ATOM 0 HG CYS A 14 -13.109 16.831 -2.275 1.00100.00 H new ATOM 193 N ALA A 15 -13.385 20.191 -3.564 1.00100.00 N ATOM 194 CA ALA A 15 -12.697 21.436 -3.378 1.00100.00 C ATOM 195 C ALA A 15 -11.668 21.616 -4.469 1.00100.00 C ATOM 196 O ALA A 15 -11.494 22.731 -4.961 1.00100.00 O ATOM 197 CB ALA A 15 -11.988 21.489 -2.020 1.00100.00 C ATOM 0 H ALA A 15 -13.253 19.552 -2.780 1.00100.00 H new ATOM 0 HA ALA A 15 -13.439 22.234 -3.416 1.00100.00 H new ATOM 0 HB1 ALA A 15 -11.477 22.446 -1.913 1.00100.00 H new ATOM 0 HB2 ALA A 15 -12.722 21.378 -1.222 1.00100.00 H new ATOM 0 HB3 ALA A 15 -11.260 20.680 -1.958 1.00100.00 H new ATOM 203 N HIS A 16 -10.965 20.521 -4.865 1.00100.00 N ATOM 204 CA HIS A 16 -9.978 20.606 -5.904 1.00100.00 C ATOM 205 C HIS A 16 -10.656 20.291 -7.217 1.00100.00 C ATOM 206 O HIS A 16 -10.907 21.222 -7.985 1.00100.00 O ATOM 207 CB HIS A 16 -8.795 19.646 -5.653 1.00100.00 C ATOM 208 CG HIS A 16 -7.629 19.820 -6.582 1.00100.00 C ATOM 209 ND1 HIS A 16 -6.675 20.810 -6.512 1.00100.00 N ATOM 210 CD2 HIS A 16 -7.283 18.976 -7.601 1.00100.00 C ATOM 211 CE1 HIS A 16 -5.774 20.560 -7.479 1.00100.00 C ATOM 212 NE2 HIS A 16 -6.100 19.454 -8.169 1.00100.00 N ATOM 0 H HIS A 16 -11.083 19.590 -4.466 1.00100.00 H new ATOM 0 HA HIS A 16 -9.559 21.612 -5.924 1.00100.00 H new ATOM 0 HB2 HIS A 16 -8.448 19.782 -4.629 1.00100.00 H new ATOM 0 HB3 HIS A 16 -9.155 18.620 -5.734 1.00100.00 H new ATOM 0 HD2 HIS A 16 -7.828 18.096 -7.911 1.00100.00 H new ATOM 0 HE1 HIS A 16 -4.903 21.168 -7.675 1.00100.00 H new ATOM 0 HE2 HIS A 16 -5.587 19.046 -8.950 1.00100.00 H new ATOM 220 N SER A 17 -10.989 18.996 -7.502 1.00100.00 N ATOM 221 CA SER A 17 -11.623 18.660 -8.756 1.00100.00 C ATOM 222 C SER A 17 -12.421 17.385 -8.765 1.00100.00 C ATOM 223 O SER A 17 -13.502 17.343 -9.352 1.00100.00 O ATOM 224 CB SER A 17 -10.611 18.557 -9.931 1.00100.00 C ATOM 225 OG SER A 17 -9.686 17.519 -9.688 1.00100.00 O ATOM 0 H SER A 17 -10.822 18.206 -6.879 1.00100.00 H new ATOM 0 HA SER A 17 -12.310 19.496 -8.886 1.00100.00 H new ATOM 0 HB2 SER A 17 -11.143 18.369 -10.863 1.00100.00 H new ATOM 0 HB3 SER A 17 -10.084 19.503 -10.050 1.00100.00 H new ATOM 0 HG SER A 17 -9.054 17.462 -10.435 1.00100.00 H new ATOM 231 N MET A 18 -11.910 16.331 -8.088 1.00100.00 N ATOM 232 CA MET A 18 -12.494 15.008 -8.065 1.00100.00 C ATOM 233 C MET A 18 -13.664 14.812 -7.140 1.00100.00 C ATOM 234 O MET A 18 -14.451 15.742 -7.000 1.00100.00 O ATOM 235 CB MET A 18 -11.412 13.926 -7.846 1.00100.00 C ATOM 236 CG MET A 18 -10.317 14.048 -8.901 1.00100.00 C ATOM 237 SD MET A 18 -10.921 13.868 -10.598 1.00100.00 S ATOM 238 CE MET A 18 -9.381 14.233 -11.476 1.00100.00 C ATOM 0 H MET A 18 -11.057 16.399 -7.534 1.00100.00 H new ATOM 0 HA MET A 18 -12.931 14.895 -9.057 1.00100.00 H new ATOM 0 HB2 MET A 18 -10.980 14.031 -6.851 1.00100.00 H new ATOM 0 HB3 MET A 18 -11.864 12.935 -7.895 1.00100.00 H new ATOM 0 HG2 MET A 18 -9.832 15.019 -8.798 1.00100.00 H new ATOM 0 HG3 MET A 18 -9.557 13.290 -8.713 1.00100.00 H new ATOM 0 HE1 MET A 18 -9.552 14.171 -12.551 1.00100.00 H new ATOM 0 HE2 MET A 18 -9.045 15.237 -11.219 1.00100.00 H new ATOM 0 HE3 MET A 18 -8.618 13.510 -11.188 1.00100.00 H new ATOM 248 N THR A 19 -14.135 13.542 -7.054 1.00100.00 N ATOM 249 CA THR A 19 -15.254 13.134 -6.235 1.00100.00 C ATOM 250 C THR A 19 -14.896 13.158 -4.772 1.00100.00 C ATOM 251 O THR A 19 -13.717 13.192 -4.413 1.00100.00 O ATOM 252 CB THR A 19 -15.739 11.727 -6.552 1.00100.00 C ATOM 253 OG1 THR A 19 -14.695 10.805 -6.328 1.00100.00 O ATOM 254 CG2 THR A 19 -16.201 11.635 -8.004 1.00100.00 C ATOM 0 H THR A 19 -13.721 12.769 -7.575 1.00100.00 H new ATOM 0 HA THR A 19 -16.045 13.849 -6.459 1.00100.00 H new ATOM 0 HB THR A 19 -16.581 11.492 -5.901 1.00100.00 H new ATOM 0 HG1 THR A 19 -15.009 9.899 -6.531 1.00100.00 H new ATOM 0 HG21 THR A 19 -16.544 10.622 -8.213 1.00100.00 H new ATOM 0 HG22 THR A 19 -17.018 12.337 -8.171 1.00100.00 H new ATOM 0 HG23 THR A 19 -15.371 11.881 -8.666 1.00100.00 H new ATOM 262 N PHE A 20 -15.927 13.142 -3.888 1.00100.00 N ATOM 263 CA PHE A 20 -15.722 13.128 -2.456 1.00100.00 C ATOM 264 C PHE A 20 -14.997 11.896 -1.975 1.00100.00 C ATOM 265 O PHE A 20 -14.383 11.935 -0.907 1.00100.00 O ATOM 266 CB PHE A 20 -16.974 13.372 -1.599 1.00100.00 C ATOM 267 CG PHE A 20 -17.293 14.845 -1.519 1.00100.00 C ATOM 268 CD1 PHE A 20 -16.497 15.676 -0.719 1.00100.00 C ATOM 269 CD2 PHE A 20 -18.342 15.391 -2.270 1.00100.00 C ATOM 270 CE1 PHE A 20 -16.755 17.052 -0.659 1.00100.00 C ATOM 271 CE2 PHE A 20 -18.609 16.766 -2.200 1.00100.00 C ATOM 272 CZ PHE A 20 -17.814 17.596 -1.397 1.00100.00 C ATOM 0 H PHE A 20 -16.908 13.139 -4.167 1.00100.00 H new ATOM 0 HA PHE A 20 -15.083 13.998 -2.304 1.00100.00 H new ATOM 0 HB2 PHE A 20 -17.821 12.835 -2.025 1.00100.00 H new ATOM 0 HB3 PHE A 20 -16.816 12.975 -0.596 1.00100.00 H new ATOM 0 HD1 PHE A 20 -15.683 15.255 -0.148 1.00100.00 H new ATOM 0 HD2 PHE A 20 -18.944 14.754 -2.902 1.00100.00 H new ATOM 0 HE1 PHE A 20 -16.139 17.692 -0.045 1.00100.00 H new ATOM 0 HE2 PHE A 20 -19.428 17.186 -2.765 1.00100.00 H new ATOM 0 HZ PHE A 20 -18.018 18.655 -1.347 1.00100.00 H new ATOM 282 N GLU A 21 -15.054 10.775 -2.740 1.00100.00 N ATOM 283 CA GLU A 21 -14.340 9.553 -2.424 1.00100.00 C ATOM 284 C GLU A 21 -12.857 9.855 -2.478 1.00100.00 C ATOM 285 O GLU A 21 -12.096 9.435 -1.605 1.00100.00 O ATOM 286 CB GLU A 21 -14.575 8.430 -3.453 1.00100.00 C ATOM 287 CG GLU A 21 -16.056 8.146 -3.684 1.00100.00 C ATOM 288 CD GLU A 21 -16.255 6.899 -4.537 1.00100.00 C ATOM 289 OE1 GLU A 21 -15.451 6.714 -5.475 1.00100.00 O ATOM 290 OE2 GLU A 21 -17.213 6.156 -4.235 1.00100.00 O ATOM 0 H GLU A 21 -15.606 10.714 -3.595 1.00100.00 H new ATOM 0 HA GLU A 21 -14.694 9.221 -1.448 1.00100.00 H new ATOM 0 HB2 GLU A 21 -14.110 8.706 -4.399 1.00100.00 H new ATOM 0 HB3 GLU A 21 -14.083 7.520 -3.110 1.00100.00 H new ATOM 0 HG2 GLU A 21 -16.557 8.017 -2.725 1.00100.00 H new ATOM 0 HG3 GLU A 21 -16.520 9.002 -4.174 1.00100.00 H new ATOM 297 N GLU A 22 -12.445 10.636 -3.508 1.00100.00 N ATOM 298 CA GLU A 22 -11.081 11.035 -3.739 1.00100.00 C ATOM 299 C GLU A 22 -10.777 12.396 -3.153 1.00100.00 C ATOM 300 O GLU A 22 -9.697 12.938 -3.394 1.00100.00 O ATOM 301 CB GLU A 22 -10.719 11.040 -5.246 1.00100.00 C ATOM 302 CG GLU A 22 -10.800 9.631 -5.831 1.00100.00 C ATOM 303 CD GLU A 22 -9.788 8.696 -5.179 1.00100.00 C ATOM 304 OE1 GLU A 22 -8.666 9.172 -4.898 1.00100.00 O ATOM 305 OE2 GLU A 22 -10.153 7.518 -4.978 1.00100.00 O ATOM 0 H GLU A 22 -13.091 11.003 -4.207 1.00100.00 H new ATOM 0 HA GLU A 22 -10.469 10.288 -3.233 1.00100.00 H new ATOM 0 HB2 GLU A 22 -11.398 11.701 -5.785 1.00100.00 H new ATOM 0 HB3 GLU A 22 -9.713 11.437 -5.381 1.00100.00 H new ATOM 0 HG2 GLU A 22 -11.806 9.235 -5.691 1.00100.00 H new ATOM 0 HG3 GLU A 22 -10.620 9.671 -6.905 1.00100.00 H new ATOM 312 N CYS A 23 -11.702 12.970 -2.333 1.00100.00 N ATOM 313 CA CYS A 23 -11.538 14.265 -1.712 1.00100.00 C ATOM 314 C CYS A 23 -10.322 14.311 -0.819 1.00100.00 C ATOM 315 O CYS A 23 -9.630 15.327 -0.908 1.00100.00 O ATOM 316 CB CYS A 23 -12.765 14.767 -0.919 1.00100.00 C ATOM 317 SG CYS A 23 -12.417 16.366 -0.145 1.00100.00 S ATOM 0 H CYS A 23 -12.586 12.519 -2.098 1.00100.00 H new ATOM 0 HA CYS A 23 -11.410 14.941 -2.557 1.00100.00 H new ATOM 0 HB2 CYS A 23 -13.622 14.859 -1.586 1.00100.00 H new ATOM 0 HB3 CYS A 23 -13.033 14.038 -0.154 1.00100.00 H new ATOM 0 HG CYS A 23 -12.149 17.244 -1.065 1.00100.00 H new ATOM 322 N PRO A 24 -9.991 13.288 0.045 1.00100.00 N ATOM 323 CA PRO A 24 -8.791 13.333 0.860 1.00100.00 C ATOM 324 C PRO A 24 -7.547 13.424 0.011 1.00100.00 C ATOM 325 O PRO A 24 -6.617 14.125 0.414 1.00100.00 O ATOM 326 CB PRO A 24 -8.816 12.084 1.733 1.00100.00 C ATOM 327 CG PRO A 24 -10.294 11.687 1.739 1.00100.00 C ATOM 328 CD PRO A 24 -10.790 12.125 0.361 1.00100.00 C ATOM 0 HA PRO A 24 -8.770 14.227 1.484 1.00100.00 H new ATOM 0 HB2 PRO A 24 -8.189 11.293 1.321 1.00100.00 H new ATOM 0 HB3 PRO A 24 -8.451 12.289 2.739 1.00100.00 H new ATOM 0 HG2 PRO A 24 -10.420 10.615 1.888 1.00100.00 H new ATOM 0 HG3 PRO A 24 -10.840 12.187 2.539 1.00100.00 H new ATOM 0 HD2 PRO A 24 -10.654 11.337 -0.379 1.00100.00 H new ATOM 0 HD3 PRO A 24 -11.853 12.366 0.379 1.00100.00 H new ATOM 336 N LYS A 25 -7.527 12.715 -1.149 1.00100.00 N ATOM 337 CA LYS A 25 -6.428 12.716 -2.083 1.00100.00 C ATOM 338 C LYS A 25 -6.246 14.097 -2.656 1.00100.00 C ATOM 339 O LYS A 25 -5.127 14.602 -2.708 1.00100.00 O ATOM 340 CB LYS A 25 -6.661 11.769 -3.279 1.00100.00 C ATOM 341 CG LYS A 25 -5.452 11.763 -4.215 1.00100.00 C ATOM 342 CD LYS A 25 -5.710 10.858 -5.418 1.00100.00 C ATOM 343 CE LYS A 25 -6.802 11.464 -6.297 1.00100.00 C ATOM 344 NZ LYS A 25 -7.064 10.619 -7.472 1.00100.00 N ATOM 0 H LYS A 25 -8.303 12.122 -1.444 1.00100.00 H new ATOM 0 HA LYS A 25 -5.554 12.382 -1.523 1.00100.00 H new ATOM 0 HB2 LYS A 25 -6.850 10.759 -2.916 1.00100.00 H new ATOM 0 HB3 LYS A 25 -7.549 12.082 -3.828 1.00100.00 H new ATOM 0 HG2 LYS A 25 -5.242 12.777 -4.554 1.00100.00 H new ATOM 0 HG3 LYS A 25 -4.569 11.418 -3.676 1.00100.00 H new ATOM 0 HD2 LYS A 25 -4.793 10.734 -5.995 1.00100.00 H new ATOM 0 HD3 LYS A 25 -6.011 9.866 -5.081 1.00100.00 H new ATOM 0 HE2 LYS A 25 -7.718 11.580 -5.717 1.00100.00 H new ATOM 0 HE3 LYS A 25 -6.501 12.460 -6.621 1.00100.00 H new ATOM 0 HZ1 LYS A 25 -7.810 11.053 -8.052 1.00100.00 H new ATOM 0 HZ2 LYS A 25 -6.195 10.529 -8.036 1.00100.00 H new ATOM 0 HZ3 LYS A 25 -7.373 9.676 -7.160 1.00100.00 H new ATOM 358 N CYS A 26 -7.369 14.744 -3.054 1.00100.00 N ATOM 359 CA CYS A 26 -7.397 16.065 -3.629 1.00100.00 C ATOM 360 C CYS A 26 -6.875 17.079 -2.656 1.00100.00 C ATOM 361 O CYS A 26 -6.107 17.970 -3.034 1.00100.00 O ATOM 362 CB CYS A 26 -8.817 16.476 -4.044 1.00100.00 C ATOM 363 SG CYS A 26 -9.318 15.551 -5.515 1.00100.00 S ATOM 0 H CYS A 26 -8.296 14.328 -2.971 1.00100.00 H new ATOM 0 HA CYS A 26 -6.762 16.034 -4.515 1.00100.00 H new ATOM 0 HB2 CYS A 26 -9.514 16.284 -3.228 1.00100.00 H new ATOM 0 HB3 CYS A 26 -8.851 17.546 -4.247 1.00100.00 H new ATOM 0 HG CYS A 26 -9.643 14.339 -5.176 1.00100.00 H new ATOM 369 N SER A 27 -7.284 16.937 -1.372 1.00100.00 N ATOM 370 CA SER A 27 -6.877 17.801 -0.307 1.00100.00 C ATOM 371 C SER A 27 -5.399 17.696 -0.093 1.00100.00 C ATOM 372 O SER A 27 -4.731 18.715 0.021 1.00100.00 O ATOM 373 CB SER A 27 -7.581 17.498 1.014 1.00100.00 C ATOM 374 OG SER A 27 -7.251 18.485 1.963 1.00100.00 O ATOM 0 H SER A 27 -7.918 16.196 -1.072 1.00100.00 H new ATOM 0 HA SER A 27 -7.156 18.810 -0.611 1.00100.00 H new ATOM 0 HB2 SER A 27 -8.660 17.470 0.864 1.00100.00 H new ATOM 0 HB3 SER A 27 -7.284 16.515 1.379 1.00100.00 H new ATOM 0 HG SER A 27 -7.996 18.599 2.589 1.00100.00 H new ATOM 380 N ALA A 28 -4.866 16.456 -0.082 1.00100.00 N ATOM 381 CA ALA A 28 -3.466 16.191 0.106 1.00100.00 C ATOM 382 C ALA A 28 -2.627 16.751 -1.008 1.00100.00 C ATOM 383 O ALA A 28 -1.553 17.301 -0.761 1.00100.00 O ATOM 384 CB ALA A 28 -3.163 14.684 0.198 1.00100.00 C ATOM 0 H ALA A 28 -5.425 15.612 -0.208 1.00100.00 H new ATOM 0 HA ALA A 28 -3.212 16.679 1.047 1.00100.00 H new ATOM 0 HB1 ALA A 28 -2.092 14.536 0.340 1.00100.00 H new ATOM 0 HB2 ALA A 28 -3.703 14.255 1.042 1.00100.00 H new ATOM 0 HB3 ALA A 28 -3.478 14.193 -0.722 1.00100.00 H new ATOM 390 N LEU A 29 -3.130 16.635 -2.258 1.00100.00 N ATOM 391 CA LEU A 29 -2.447 17.077 -3.444 1.00100.00 C ATOM 392 C LEU A 29 -2.149 18.541 -3.476 1.00100.00 C ATOM 393 O LEU A 29 -0.995 18.897 -3.724 1.00100.00 O ATOM 394 CB LEU A 29 -3.261 16.811 -4.732 1.00100.00 C ATOM 395 CG LEU A 29 -2.726 15.617 -5.527 1.00100.00 C ATOM 396 CD1 LEU A 29 -2.610 14.349 -4.683 1.00100.00 C ATOM 397 CD2 LEU A 29 -3.684 15.355 -6.690 1.00100.00 C ATOM 0 H LEU A 29 -4.042 16.220 -2.449 1.00100.00 H new ATOM 0 HA LEU A 29 -1.523 16.500 -3.410 1.00100.00 H new ATOM 0 HB2 LEU A 29 -4.303 16.630 -4.469 1.00100.00 H new ATOM 0 HB3 LEU A 29 -3.241 17.701 -5.361 1.00100.00 H new ATOM 0 HG LEU A 29 -1.723 15.864 -5.874 1.00100.00 H new ATOM 0 HD11 LEU A 29 -2.226 13.536 -5.299 1.00100.00 H new ATOM 0 HD12 LEU A 29 -1.929 14.527 -3.851 1.00100.00 H new ATOM 0 HD13 LEU A 29 -3.592 14.078 -4.296 1.00100.00 H new ATOM 0 HD21 LEU A 29 -3.325 14.507 -7.273 1.00100.00 H new ATOM 0 HD22 LEU A 29 -4.677 15.132 -6.300 1.00100.00 H new ATOM 0 HD23 LEU A 29 -3.734 16.238 -7.327 1.00100.00 H new ATOM 409 N GLN A 30 -3.155 19.422 -3.216 1.00100.00 N ATOM 410 CA GLN A 30 -2.887 20.846 -3.277 1.00100.00 C ATOM 411 C GLN A 30 -2.732 21.485 -1.919 1.00100.00 C ATOM 412 O GLN A 30 -2.014 22.477 -1.787 1.00100.00 O ATOM 413 CB GLN A 30 -3.978 21.655 -4.037 1.00100.00 C ATOM 414 CG GLN A 30 -3.643 23.138 -4.213 1.00100.00 C ATOM 415 CD GLN A 30 -4.811 23.885 -4.846 1.00100.00 C ATOM 416 OE1 GLN A 30 -5.831 24.104 -4.195 1.00100.00 O ATOM 417 NE2 GLN A 30 -4.665 24.290 -6.110 1.00100.00 N ATOM 0 H GLN A 30 -4.112 19.165 -2.974 1.00100.00 H new ATOM 0 HA GLN A 30 -1.945 20.892 -3.823 1.00100.00 H new ATOM 0 HB2 GLN A 30 -4.129 21.208 -5.020 1.00100.00 H new ATOM 0 HB3 GLN A 30 -4.922 21.568 -3.499 1.00100.00 H new ATOM 0 HG2 GLN A 30 -3.405 23.579 -3.245 1.00100.00 H new ATOM 0 HG3 GLN A 30 -2.756 23.244 -4.838 1.00100.00 H new ATOM 0 HE21 GLN A 30 -3.802 24.087 -6.614 1.00100.00 H new ATOM 0 HE22 GLN A 30 -5.417 24.802 -6.571 1.00100.00 H new ATOM 426 N TYR A 31 -3.350 20.901 -0.868 1.00100.00 N ATOM 427 CA TYR A 31 -3.362 21.400 0.491 1.00100.00 C ATOM 428 C TYR A 31 -4.260 22.581 0.715 1.00100.00 C ATOM 429 O TYR A 31 -5.090 22.512 1.620 1.00100.00 O ATOM 430 CB TYR A 31 -2.004 21.686 1.188 1.00100.00 C ATOM 431 CG TYR A 31 -1.130 20.458 1.278 1.00100.00 C ATOM 432 CD1 TYR A 31 -1.412 19.475 2.238 1.00100.00 C ATOM 433 CD2 TYR A 31 -0.056 20.292 0.393 1.00100.00 C ATOM 434 CE1 TYR A 31 -0.615 18.325 2.321 1.00100.00 C ATOM 435 CE2 TYR A 31 0.746 19.145 0.469 1.00100.00 C ATOM 436 CZ TYR A 31 0.469 18.157 1.437 1.00100.00 C ATOM 437 OH TYR A 31 1.245 17.037 1.512 1.00100.00 O ATOM 0 H TYR A 31 -3.872 20.031 -0.968 1.00100.00 H new ATOM 0 HA TYR A 31 -3.766 20.510 0.975 1.00100.00 H new ATOM 0 HB2 TYR A 31 -1.475 22.465 0.639 1.00100.00 H new ATOM 0 HB3 TYR A 31 -2.188 22.071 2.191 1.00100.00 H new ATOM 0 HD1 TYR A 31 -2.244 19.604 2.914 1.00100.00 H new ATOM 0 HD2 TYR A 31 0.154 21.049 -0.348 1.00100.00 H new ATOM 0 HE1 TYR A 31 -0.832 17.569 3.061 1.00100.00 H new ATOM 0 HE2 TYR A 31 1.574 19.018 -0.212 1.00100.00 H new ATOM 0 HH TYR A 31 1.948 17.080 0.830 1.00100.00 H new ATOM 447 N ARG A 32 -4.134 23.670 -0.090 1.00100.00 N ATOM 448 CA ARG A 32 -4.939 24.865 0.051 1.00100.00 C ATOM 449 C ARG A 32 -6.390 24.544 -0.178 1.00100.00 C ATOM 450 O ARG A 32 -7.182 24.640 0.759 1.00100.00 O ATOM 451 CB ARG A 32 -4.451 25.884 -0.994 1.00100.00 C ATOM 452 CG ARG A 32 -5.203 27.212 -0.937 1.00100.00 C ATOM 453 CD ARG A 32 -4.696 28.116 -2.062 1.00100.00 C ATOM 454 NE ARG A 32 -3.261 28.391 -1.920 1.00100.00 N ATOM 455 CZ ARG A 32 -2.347 28.223 -2.891 1.00100.00 C ATOM 456 NH1 ARG A 32 -2.699 27.772 -4.104 1.00100.00 N ATOM 457 NH2 ARG A 32 -1.061 28.509 -2.645 1.00100.00 N ATOM 0 H ARG A 32 -3.460 23.721 -0.854 1.00100.00 H new ATOM 0 HA ARG A 32 -4.839 25.273 1.057 1.00100.00 H new ATOM 0 HB2 ARG A 32 -3.388 26.069 -0.842 1.00100.00 H new ATOM 0 HB3 ARG A 32 -4.561 25.454 -1.990 1.00100.00 H new ATOM 0 HG2 ARG A 32 -6.275 27.043 -1.043 1.00100.00 H new ATOM 0 HG3 ARG A 32 -5.050 27.691 0.030 1.00100.00 H new ATOM 0 HD2 ARG A 32 -4.884 27.642 -3.025 1.00100.00 H new ATOM 0 HD3 ARG A 32 -5.251 29.054 -2.055 1.00100.00 H new ATOM 0 HE ARG A 32 -2.933 28.735 -1.017 1.00100.00 H new ATOM 0 HH11 ARG A 32 -3.675 27.550 -4.302 1.00100.00 H new ATOM 0 HH12 ARG A 32 -1.991 27.651 -4.828 1.00100.00 H new ATOM 0 HH21 ARG A 32 -0.782 28.852 -1.726 1.00100.00 H new ATOM 0 HH22 ARG A 32 -0.362 28.384 -3.377 1.00100.00 H new ATOM 471 N ASN A 33 -6.748 24.116 -1.414 1.00100.00 N ATOM 472 CA ASN A 33 -8.074 23.700 -1.810 1.00100.00 C ATOM 473 C ASN A 33 -9.201 24.612 -1.394 1.00100.00 C ATOM 474 O ASN A 33 -10.227 24.151 -0.890 1.00100.00 O ATOM 475 CB ASN A 33 -8.323 22.217 -1.456 1.00100.00 C ATOM 476 CG ASN A 33 -7.293 21.392 -2.213 1.00100.00 C ATOM 477 OD1 ASN A 33 -7.315 21.358 -3.441 1.00100.00 O ATOM 478 ND2 ASN A 33 -6.361 20.770 -1.490 1.00100.00 N ATOM 0 H ASN A 33 -6.076 24.057 -2.179 1.00100.00 H new ATOM 0 HA ASN A 33 -8.087 23.794 -2.896 1.00100.00 H new ATOM 0 HB2 ASN A 33 -8.229 22.057 -0.382 1.00100.00 H new ATOM 0 HB3 ASN A 33 -9.334 21.920 -1.735 1.00100.00 H new ATOM 0 HD21 ASN A 33 -5.626 20.238 -1.955 1.00100.00 H new ATOM 0 HD22 ASN A 33 -6.383 20.827 -0.472 1.00100.00 H new ATOM 485 N GLY A 34 -9.029 25.941 -1.593 1.00100.00 N ATOM 486 CA GLY A 34 -10.046 26.899 -1.220 1.00100.00 C ATOM 487 C GLY A 34 -10.105 27.114 0.264 1.00100.00 C ATOM 488 O GLY A 34 -11.121 27.568 0.792 1.00100.00 O ATOM 0 H GLY A 34 -8.193 26.352 -2.009 1.00100.00 H new ATOM 0 HA2 GLY A 34 -9.847 27.849 -1.715 1.00100.00 H new ATOM 0 HA3 GLY A 34 -11.017 26.552 -1.574 1.00100.00 H new ATOM 492 N PHE A 35 -8.985 26.795 0.956 1.00100.00 N ATOM 493 CA PHE A 35 -8.790 26.898 2.377 1.00100.00 C ATOM 494 C PHE A 35 -9.816 26.123 3.167 1.00100.00 C ATOM 495 O PHE A 35 -10.326 26.564 4.200 1.00100.00 O ATOM 496 CB PHE A 35 -8.682 28.353 2.866 1.00100.00 C ATOM 497 CG PHE A 35 -7.578 29.124 2.186 1.00100.00 C ATOM 498 CD1 PHE A 35 -6.252 28.981 2.619 1.00100.00 C ATOM 499 CD2 PHE A 35 -7.879 29.970 1.112 1.00100.00 C ATOM 500 CE1 PHE A 35 -5.229 29.694 1.982 1.00100.00 C ATOM 501 CE2 PHE A 35 -6.855 30.684 0.475 1.00100.00 C ATOM 502 CZ PHE A 35 -5.530 30.546 0.910 1.00100.00 C ATOM 0 H PHE A 35 -8.155 26.438 0.483 1.00100.00 H new ATOM 0 HA PHE A 35 -7.824 26.431 2.567 1.00100.00 H new ATOM 0 HB2 PHE A 35 -9.631 28.860 2.693 1.00100.00 H new ATOM 0 HB3 PHE A 35 -8.510 28.357 3.942 1.00100.00 H new ATOM 0 HD1 PHE A 35 -6.020 28.322 3.443 1.00100.00 H new ATOM 0 HD2 PHE A 35 -8.900 30.072 0.774 1.00100.00 H new ATOM 0 HE1 PHE A 35 -4.208 29.588 2.317 1.00100.00 H new ATOM 0 HE2 PHE A 35 -7.087 31.340 -0.351 1.00100.00 H new ATOM 0 HZ PHE A 35 -4.741 31.096 0.419 1.00100.00 H new ATOM 512 N TYR A 36 -10.120 24.910 2.654 1.00100.00 N ATOM 513 CA TYR A 36 -11.025 23.934 3.210 1.00100.00 C ATOM 514 C TYR A 36 -10.488 23.526 4.568 1.00100.00 C ATOM 515 O TYR A 36 -11.238 23.472 5.545 1.00100.00 O ATOM 516 CB TYR A 36 -11.051 22.733 2.217 1.00100.00 C ATOM 517 CG TYR A 36 -11.784 21.517 2.725 1.00100.00 C ATOM 518 CD1 TYR A 36 -13.129 21.616 3.108 1.00100.00 C ATOM 519 CD2 TYR A 36 -11.118 20.286 2.798 1.00100.00 C ATOM 520 CE1 TYR A 36 -13.818 20.478 3.549 1.00100.00 C ATOM 521 CE2 TYR A 36 -11.798 19.145 3.243 1.00100.00 C ATOM 522 CZ TYR A 36 -13.155 19.235 3.613 1.00100.00 C ATOM 523 OH TYR A 36 -13.823 18.123 4.034 1.00100.00 O ATOM 0 H TYR A 36 -9.701 24.585 1.783 1.00100.00 H new ATOM 0 HA TYR A 36 -12.038 24.315 3.343 1.00100.00 H new ATOM 0 HB2 TYR A 36 -11.514 23.058 1.286 1.00100.00 H new ATOM 0 HB3 TYR A 36 -10.025 22.451 1.981 1.00100.00 H new ATOM 0 HD1 TYR A 36 -13.634 22.569 3.063 1.00100.00 H new ATOM 0 HD2 TYR A 36 -10.079 20.217 2.511 1.00100.00 H new ATOM 0 HE1 TYR A 36 -14.855 20.553 3.839 1.00100.00 H new ATOM 0 HE2 TYR A 36 -11.283 18.198 3.302 1.00100.00 H new ATOM 0 HH TYR A 36 -13.218 17.352 4.017 1.00100.00 H new ATOM 533 N LEU A 37 -9.159 23.274 4.644 1.00100.00 N ATOM 534 CA LEU A 37 -8.497 22.899 5.865 1.00100.00 C ATOM 535 C LEU A 37 -7.930 24.177 6.406 1.00100.00 C ATOM 536 O LEU A 37 -7.060 24.798 5.792 1.00100.00 O ATOM 537 CB LEU A 37 -7.286 21.955 5.670 1.00100.00 C ATOM 538 CG LEU A 37 -7.679 20.647 4.981 1.00100.00 C ATOM 539 CD1 LEU A 37 -6.429 19.780 4.838 1.00100.00 C ATOM 540 CD2 LEU A 37 -8.725 19.885 5.795 1.00100.00 C ATOM 0 H LEU A 37 -8.534 23.332 3.840 1.00100.00 H new ATOM 0 HA LEU A 37 -9.218 22.381 6.497 1.00100.00 H new ATOM 0 HB2 LEU A 37 -6.524 22.461 5.077 1.00100.00 H new ATOM 0 HB3 LEU A 37 -6.840 21.733 6.640 1.00100.00 H new ATOM 0 HG LEU A 37 -8.108 20.878 4.006 1.00100.00 H new ATOM 0 HD11 LEU A 37 -6.691 18.842 4.348 1.00100.00 H new ATOM 0 HD12 LEU A 37 -5.687 20.308 4.239 1.00100.00 H new ATOM 0 HD13 LEU A 37 -6.016 19.571 5.825 1.00100.00 H new ATOM 0 HD21 LEU A 37 -8.984 18.960 5.280 1.00100.00 H new ATOM 0 HD22 LEU A 37 -8.320 19.651 6.779 1.00100.00 H new ATOM 0 HD23 LEU A 37 -9.618 20.500 5.907 1.00100.00 H new ATOM 552 N LEU A 38 -8.431 24.581 7.591 1.00100.00 N ATOM 553 CA LEU A 38 -8.035 25.774 8.301 1.00100.00 C ATOM 554 C LEU A 38 -6.604 25.735 8.764 1.00100.00 C ATOM 555 O LEU A 38 -5.907 26.749 8.751 1.00100.00 O ATOM 556 CB LEU A 38 -8.910 26.094 9.525 1.00100.00 C ATOM 557 CG LEU A 38 -10.367 26.335 9.122 1.00100.00 C ATOM 558 CD1 LEU A 38 -11.180 26.629 10.382 1.00100.00 C ATOM 559 CD2 LEU A 38 -10.494 27.522 8.164 1.00100.00 C ATOM 0 H LEU A 38 -9.150 24.051 8.084 1.00100.00 H new ATOM 0 HA LEU A 38 -8.167 26.559 7.556 1.00100.00 H new ATOM 0 HB2 LEU A 38 -8.859 25.269 10.236 1.00100.00 H new ATOM 0 HB3 LEU A 38 -8.520 26.977 10.032 1.00100.00 H new ATOM 0 HG LEU A 38 -10.737 25.444 8.614 1.00100.00 H new ATOM 0 HD11 LEU A 38 -12.221 26.803 10.111 1.00100.00 H new ATOM 0 HD12 LEU A 38 -11.119 25.778 11.061 1.00100.00 H new ATOM 0 HD13 LEU A 38 -10.780 27.516 10.874 1.00100.00 H new ATOM 0 HD21 LEU A 38 -11.541 27.665 7.898 1.00100.00 H new ATOM 0 HD22 LEU A 38 -10.116 28.423 8.648 1.00100.00 H new ATOM 0 HD23 LEU A 38 -9.915 27.325 7.262 1.00100.00 H new ATOM 571 N LYS A 39 -6.142 24.519 9.141 1.00100.00 N ATOM 572 CA LYS A 39 -4.836 24.203 9.668 1.00100.00 C ATOM 573 C LYS A 39 -3.713 24.599 8.749 1.00100.00 C ATOM 574 O LYS A 39 -2.623 24.910 9.229 1.00100.00 O ATOM 575 CB LYS A 39 -4.704 22.690 9.929 1.00100.00 C ATOM 576 CG LYS A 39 -5.814 22.194 10.855 1.00100.00 C ATOM 577 CD LYS A 39 -5.640 20.698 11.108 1.00100.00 C ATOM 578 CE LYS A 39 -6.744 20.211 12.042 1.00100.00 C ATOM 579 NZ LYS A 39 -6.599 18.774 12.324 1.00100.00 N ATOM 0 H LYS A 39 -6.731 23.689 9.071 1.00100.00 H new ATOM 0 HA LYS A 39 -4.753 24.775 10.592 1.00100.00 H new ATOM 0 HB2 LYS A 39 -4.746 22.149 8.983 1.00100.00 H new ATOM 0 HB3 LYS A 39 -3.732 22.478 10.375 1.00100.00 H new ATOM 0 HG2 LYS A 39 -5.784 22.739 11.799 1.00100.00 H new ATOM 0 HG3 LYS A 39 -6.789 22.386 10.406 1.00100.00 H new ATOM 0 HD2 LYS A 39 -5.678 20.152 10.166 1.00100.00 H new ATOM 0 HD3 LYS A 39 -4.663 20.504 11.550 1.00100.00 H new ATOM 0 HE2 LYS A 39 -6.711 20.774 12.975 1.00100.00 H new ATOM 0 HE3 LYS A 39 -7.718 20.400 11.590 1.00100.00 H new ATOM 0 HZ1 LYS A 39 -7.361 18.467 12.961 1.00100.00 H new ATOM 0 HZ2 LYS A 39 -6.654 18.238 11.434 1.00100.00 H new ATOM 0 HZ3 LYS A 39 -5.679 18.600 12.776 1.00100.00 H new ATOM 593 N TYR A 40 -3.960 24.619 7.421 1.00100.00 N ATOM 594 CA TYR A 40 -3.004 24.979 6.402 1.00100.00 C ATOM 595 C TYR A 40 -2.478 26.387 6.571 1.00100.00 C ATOM 596 O TYR A 40 -1.268 26.598 6.455 1.00100.00 O ATOM 597 CB TYR A 40 -3.683 24.826 5.007 1.00100.00 C ATOM 598 CG TYR A 40 -2.886 25.338 3.831 1.00100.00 C ATOM 599 CD1 TYR A 40 -1.801 24.600 3.338 1.00100.00 C ATOM 600 CD2 TYR A 40 -3.270 26.532 3.202 1.00100.00 C ATOM 601 CE1 TYR A 40 -1.099 25.051 2.212 1.00100.00 C ATOM 602 CE2 TYR A 40 -2.576 26.988 2.074 1.00100.00 C ATOM 603 CZ TYR A 40 -1.488 26.246 1.571 1.00100.00 C ATOM 604 OH TYR A 40 -0.818 26.683 0.466 1.00100.00 O ATOM 0 H TYR A 40 -4.872 24.372 7.036 1.00100.00 H new ATOM 0 HA TYR A 40 -2.146 24.312 6.490 1.00100.00 H new ATOM 0 HB2 TYR A 40 -3.900 23.771 4.843 1.00100.00 H new ATOM 0 HB3 TYR A 40 -4.639 25.349 5.030 1.00100.00 H new ATOM 0 HD1 TYR A 40 -1.506 23.683 3.826 1.00100.00 H new ATOM 0 HD2 TYR A 40 -4.103 27.101 3.589 1.00100.00 H new ATOM 0 HE1 TYR A 40 -0.261 24.484 1.835 1.00100.00 H new ATOM 0 HE2 TYR A 40 -2.874 27.907 1.590 1.00100.00 H new ATOM 0 HH TYR A 40 -1.218 27.520 0.151 1.00100.00 H new ATOM 614 N ASP A 41 -3.367 27.362 6.876 1.00100.00 N ATOM 615 CA ASP A 41 -2.983 28.744 7.017 1.00100.00 C ATOM 616 C ASP A 41 -2.159 28.965 8.258 1.00100.00 C ATOM 617 O ASP A 41 -2.465 28.456 9.337 1.00100.00 O ATOM 618 CB ASP A 41 -4.208 29.691 6.986 1.00100.00 C ATOM 619 CG ASP A 41 -3.786 31.154 7.022 1.00100.00 C ATOM 620 OD1 ASP A 41 -3.209 31.602 6.009 1.00100.00 O ATOM 621 OD2 ASP A 41 -4.052 31.796 8.061 1.00100.00 O ATOM 0 H ASP A 41 -4.361 27.190 7.026 1.00100.00 H new ATOM 0 HA ASP A 41 -2.361 28.989 6.156 1.00100.00 H new ATOM 0 HB2 ASP A 41 -4.792 29.502 6.085 1.00100.00 H new ATOM 0 HB3 ASP A 41 -4.856 29.477 7.836 1.00100.00 H new ATOM 626 N GLU A 42 -1.069 29.751 8.091 1.00100.00 N ATOM 627 CA GLU A 42 -0.127 30.095 9.128 1.00100.00 C ATOM 628 C GLU A 42 -0.772 30.877 10.236 1.00100.00 C ATOM 629 O GLU A 42 -0.502 30.629 11.411 1.00100.00 O ATOM 630 CB GLU A 42 1.052 30.933 8.598 1.00100.00 C ATOM 631 CG GLU A 42 1.805 30.162 7.516 1.00100.00 C ATOM 632 CD GLU A 42 2.993 30.968 7.008 1.00100.00 C ATOM 633 OE1 GLU A 42 2.740 32.010 6.367 1.00100.00 O ATOM 634 OE2 GLU A 42 4.133 30.527 7.272 1.00100.00 O ATOM 0 H GLU A 42 -0.833 30.167 7.190 1.00100.00 H new ATOM 0 HA GLU A 42 0.240 29.140 9.504 1.00100.00 H new ATOM 0 HB2 GLU A 42 0.684 31.876 8.193 1.00100.00 H new ATOM 0 HB3 GLU A 42 1.729 31.180 9.416 1.00100.00 H new ATOM 0 HG2 GLU A 42 2.150 29.209 7.916 1.00100.00 H new ATOM 0 HG3 GLU A 42 1.132 29.936 6.689 1.00100.00 H new ATOM 641 N GLU A 43 -1.669 31.820 9.870 1.00100.00 N ATOM 642 CA GLU A 43 -2.365 32.665 10.806 1.00100.00 C ATOM 643 C GLU A 43 -3.655 32.047 11.286 1.00100.00 C ATOM 644 O GLU A 43 -4.376 32.687 12.054 1.00100.00 O ATOM 645 CB GLU A 43 -2.685 34.064 10.216 1.00100.00 C ATOM 646 CG GLU A 43 -1.431 34.700 9.616 1.00100.00 C ATOM 647 CD GLU A 43 -0.301 34.760 10.636 1.00100.00 C ATOM 648 OE1 GLU A 43 -0.339 35.686 11.473 1.00100.00 O ATOM 649 OE2 GLU A 43 0.576 33.871 10.560 1.00100.00 O ATOM 0 H GLU A 43 -1.918 32.001 8.897 1.00100.00 H new ATOM 0 HA GLU A 43 -1.682 32.777 11.648 1.00100.00 H new ATOM 0 HB2 GLU A 43 -3.454 33.973 9.449 1.00100.00 H new ATOM 0 HB3 GLU A 43 -3.088 34.709 10.997 1.00100.00 H new ATOM 0 HG2 GLU A 43 -1.110 34.126 8.747 1.00100.00 H new ATOM 0 HG3 GLU A 43 -1.662 35.706 9.266 1.00100.00 H new ATOM 656 N TRP A 44 -3.961 30.786 10.867 1.00100.00 N ATOM 657 CA TRP A 44 -5.146 30.017 11.184 1.00100.00 C ATOM 658 C TRP A 44 -6.346 30.495 10.422 1.00100.00 C ATOM 659 O TRP A 44 -7.035 29.658 9.838 1.00100.00 O ATOM 660 CB TRP A 44 -5.520 29.908 12.695 1.00100.00 C ATOM 661 CG TRP A 44 -6.686 29.009 12.944 1.00100.00 C ATOM 662 CD1 TRP A 44 -7.964 29.408 13.121 1.00100.00 C ATOM 663 CD2 TRP A 44 -6.713 27.553 12.999 1.00100.00 C ATOM 664 NE1 TRP A 44 -8.775 28.305 13.287 1.00100.00 N ATOM 665 CE2 TRP A 44 -8.053 27.130 13.215 1.00100.00 C ATOM 666 CE3 TRP A 44 -5.737 26.547 12.880 1.00100.00 C ATOM 667 CZ2 TRP A 44 -8.408 25.780 13.311 1.00100.00 C ATOM 668 CZ3 TRP A 44 -6.079 25.192 12.983 1.00100.00 C ATOM 669 CH2 TRP A 44 -7.410 24.805 13.195 1.00100.00 C ATOM 0 H TRP A 44 -3.327 30.267 10.259 1.00100.00 H new ATOM 0 HA TRP A 44 -4.861 29.012 10.873 1.00100.00 H new ATOM 0 HB2 TRP A 44 -4.658 29.539 13.251 1.00100.00 H new ATOM 0 HB3 TRP A 44 -5.746 30.902 13.080 1.00100.00 H new ATOM 0 HD1 TRP A 44 -8.300 30.434 13.131 1.00100.00 H new ATOM 0 HE1 TRP A 44 -9.782 28.351 13.443 1.00100.00 H new ATOM 0 HE3 TRP A 44 -4.707 26.823 12.706 1.00100.00 H new ATOM 0 HZ2 TRP A 44 -9.437 25.494 13.472 1.00100.00 H new ATOM 0 HZ3 TRP A 44 -5.310 24.438 12.898 1.00100.00 H new ATOM 0 HH2 TRP A 44 -7.664 23.758 13.269 1.00100.00 H new ATOM 680 N TYR A 45 -6.635 31.821 10.426 1.00100.00 N ATOM 681 CA TYR A 45 -7.779 32.340 9.731 1.00100.00 C ATOM 682 C TYR A 45 -7.318 32.780 8.355 1.00100.00 C ATOM 683 O TYR A 45 -6.543 33.732 8.234 1.00100.00 O ATOM 684 CB TYR A 45 -8.431 33.534 10.479 1.00100.00 C ATOM 685 CG TYR A 45 -9.741 33.935 9.844 1.00100.00 C ATOM 686 CD1 TYR A 45 -10.914 33.257 10.200 1.00100.00 C ATOM 687 CD2 TYR A 45 -9.778 34.944 8.872 1.00100.00 C ATOM 688 CE1 TYR A 45 -12.131 33.588 9.592 1.00100.00 C ATOM 689 CE2 TYR A 45 -10.991 35.279 8.254 1.00100.00 C ATOM 690 CZ TYR A 45 -12.174 34.600 8.611 1.00100.00 C ATOM 691 OH TYR A 45 -13.356 34.917 8.009 1.00100.00 O ATOM 0 H TYR A 45 -6.077 32.526 10.909 1.00100.00 H new ATOM 0 HA TYR A 45 -8.539 31.561 9.666 1.00100.00 H new ATOM 0 HB2 TYR A 45 -8.598 33.264 11.522 1.00100.00 H new ATOM 0 HB3 TYR A 45 -7.748 34.384 10.475 1.00100.00 H new ATOM 0 HD1 TYR A 45 -10.879 32.477 10.946 1.00100.00 H new ATOM 0 HD2 TYR A 45 -8.872 35.464 8.599 1.00100.00 H new ATOM 0 HE1 TYR A 45 -13.035 33.069 9.874 1.00100.00 H new ATOM 0 HE2 TYR A 45 -11.019 36.057 7.505 1.00100.00 H new ATOM 0 HH TYR A 45 -13.210 35.635 7.359 1.00100.00 H new ATOM 701 N PRO A 46 -7.774 32.068 7.287 1.00100.00 N ATOM 702 CA PRO A 46 -7.454 32.350 5.903 1.00100.00 C ATOM 703 C PRO A 46 -8.312 33.443 5.320 1.00100.00 C ATOM 704 O PRO A 46 -9.282 33.855 5.963 1.00100.00 O ATOM 705 CB PRO A 46 -7.690 31.032 5.193 1.00100.00 C ATOM 706 CG PRO A 46 -8.913 30.492 5.928 1.00100.00 C ATOM 707 CD PRO A 46 -8.626 30.895 7.370 1.00100.00 C ATOM 0 HA PRO A 46 -6.433 32.716 5.795 1.00100.00 H new ATOM 0 HB2 PRO A 46 -7.881 31.170 4.129 1.00100.00 H new ATOM 0 HB3 PRO A 46 -6.834 30.363 5.279 1.00100.00 H new ATOM 0 HG2 PRO A 46 -9.838 30.934 5.558 1.00100.00 H new ATOM 0 HG3 PRO A 46 -9.010 29.412 5.819 1.00100.00 H new ATOM 0 HD2 PRO A 46 -9.549 31.118 7.905 1.00100.00 H new ATOM 0 HD3 PRO A 46 -8.131 30.089 7.911 1.00100.00 H new ATOM 715 N GLU A 47 -7.955 33.931 4.105 1.00100.00 N ATOM 716 CA GLU A 47 -8.710 34.942 3.406 1.00100.00 C ATOM 717 C GLU A 47 -10.080 34.398 3.080 1.00100.00 C ATOM 718 O GLU A 47 -11.079 35.096 3.278 1.00100.00 O ATOM 719 CB GLU A 47 -8.031 35.385 2.090 1.00100.00 C ATOM 720 CG GLU A 47 -6.616 35.896 2.361 1.00100.00 C ATOM 721 CD GLU A 47 -6.632 37.051 3.353 1.00100.00 C ATOM 722 OE1 GLU A 47 -6.865 38.191 2.895 1.00100.00 O ATOM 723 OE2 GLU A 47 -6.416 36.772 4.552 1.00100.00 O ATOM 0 H GLU A 47 -7.126 33.617 3.600 1.00100.00 H new ATOM 0 HA GLU A 47 -8.772 35.812 4.060 1.00100.00 H new ATOM 0 HB2 GLU A 47 -7.994 34.547 1.394 1.00100.00 H new ATOM 0 HB3 GLU A 47 -8.622 36.168 1.615 1.00100.00 H new ATOM 0 HG2 GLU A 47 -6.002 35.085 2.752 1.00100.00 H new ATOM 0 HG3 GLU A 47 -6.158 36.221 1.427 1.00100.00 H new ATOM 730 N GLU A 48 -10.148 33.129 2.596 1.00100.00 N ATOM 731 CA GLU A 48 -11.402 32.512 2.283 1.00100.00 C ATOM 732 C GLU A 48 -11.667 31.441 3.286 1.00100.00 C ATOM 733 O GLU A 48 -11.054 30.372 3.272 1.00100.00 O ATOM 734 CB GLU A 48 -11.489 31.896 0.864 1.00100.00 C ATOM 735 CG GLU A 48 -11.393 32.961 -0.229 1.00100.00 C ATOM 736 CD GLU A 48 -12.616 33.873 -0.258 1.00100.00 C ATOM 737 OE1 GLU A 48 -13.649 33.477 0.325 1.00100.00 O ATOM 738 OE2 GLU A 48 -12.496 34.951 -0.877 1.00100.00 O ATOM 0 H GLU A 48 -9.333 32.540 2.425 1.00100.00 H new ATOM 0 HA GLU A 48 -12.147 33.307 2.312 1.00100.00 H new ATOM 0 HB2 GLU A 48 -10.687 31.170 0.734 1.00100.00 H new ATOM 0 HB3 GLU A 48 -12.429 31.354 0.761 1.00100.00 H new ATOM 0 HG2 GLU A 48 -10.498 33.562 -0.070 1.00100.00 H new ATOM 0 HG3 GLU A 48 -11.282 32.475 -1.198 1.00100.00 H new ATOM 745 N LEU A 49 -12.579 31.761 4.221 1.00100.00 N ATOM 746 CA LEU A 49 -13.015 30.875 5.265 1.00100.00 C ATOM 747 C LEU A 49 -13.852 29.749 4.715 1.00100.00 C ATOM 748 O LEU A 49 -13.716 28.597 5.133 1.00100.00 O ATOM 749 CB LEU A 49 -13.829 31.638 6.334 1.00100.00 C ATOM 750 CG LEU A 49 -14.262 30.733 7.489 1.00100.00 C ATOM 751 CD1 LEU A 49 -13.049 30.251 8.285 1.00100.00 C ATOM 752 CD2 LEU A 49 -15.196 31.519 8.407 1.00100.00 C ATOM 0 H LEU A 49 -13.034 32.673 4.254 1.00100.00 H new ATOM 0 HA LEU A 49 -12.119 30.457 5.725 1.00100.00 H new ATOM 0 HB2 LEU A 49 -13.230 32.461 6.725 1.00100.00 H new ATOM 0 HB3 LEU A 49 -14.711 32.078 5.870 1.00100.00 H new ATOM 0 HG LEU A 49 -14.775 29.860 7.084 1.00100.00 H new ATOM 0 HD11 LEU A 49 -13.381 29.609 9.101 1.00100.00 H new ATOM 0 HD12 LEU A 49 -12.383 29.689 7.629 1.00100.00 H new ATOM 0 HD13 LEU A 49 -12.517 31.110 8.693 1.00100.00 H new ATOM 0 HD21 LEU A 49 -15.512 30.884 9.235 1.00100.00 H new ATOM 0 HD22 LEU A 49 -14.672 32.391 8.798 1.00100.00 H new ATOM 0 HD23 LEU A 49 -16.071 31.843 7.844 1.00100.00 H new ATOM 764 N LEU A 50 -14.728 30.085 3.742 1.00100.00 N ATOM 765 CA LEU A 50 -15.643 29.170 3.120 1.00100.00 C ATOM 766 C LEU A 50 -15.008 28.063 2.353 1.00100.00 C ATOM 767 O LEU A 50 -13.950 28.218 1.740 1.00100.00 O ATOM 768 CB LEU A 50 -16.625 29.860 2.152 1.00100.00 C ATOM 769 CG LEU A 50 -17.375 31.006 2.835 1.00100.00 C ATOM 770 CD1 LEU A 50 -18.304 31.667 1.817 1.00100.00 C ATOM 771 CD2 LEU A 50 -18.206 30.492 4.012 1.00100.00 C ATOM 0 H LEU A 50 -14.801 31.034 3.375 1.00100.00 H new ATOM 0 HA LEU A 50 -16.162 28.755 3.984 1.00100.00 H new ATOM 0 HB2 LEU A 50 -16.079 30.244 1.290 1.00100.00 H new ATOM 0 HB3 LEU A 50 -17.341 29.129 1.776 1.00100.00 H new ATOM 0 HG LEU A 50 -16.647 31.724 3.213 1.00100.00 H new ATOM 0 HD11 LEU A 50 -18.843 32.485 2.294 1.00100.00 H new ATOM 0 HD12 LEU A 50 -17.715 32.056 0.986 1.00100.00 H new ATOM 0 HD13 LEU A 50 -19.017 30.932 1.444 1.00100.00 H new ATOM 0 HD21 LEU A 50 -18.729 31.326 4.480 1.00100.00 H new ATOM 0 HD22 LEU A 50 -18.933 29.763 3.653 1.00100.00 H new ATOM 0 HD23 LEU A 50 -17.549 30.020 4.743 1.00100.00 H new HETATM 783 N TPO A 51 -15.677 26.890 2.423 1.00100.00 N HETATM 784 CA TPO A 51 -15.299 25.684 1.736 1.00100.00 C HETATM 785 CB TPO A 51 -16.168 24.515 2.164 1.00100.00 C HETATM 786 CG2 TPO A 51 -15.792 24.056 3.573 1.00100.00 C HETATM 787 OG1 TPO A 51 -17.520 24.916 2.148 1.00100.00 O HETATM 788 P TPO A 51 -17.700 26.135 3.165 1.00100.00 P HETATM 789 O1P TPO A 51 -19.043 26.552 3.165 1.00 0.00 O HETATM 790 O2P TPO A 51 -16.878 27.204 2.766 1.00 0.00 O HETATM 791 O3P TPO A 51 -17.337 25.723 4.460 1.00 0.00 O HETATM 792 C TPO A 51 -15.507 25.963 0.265 1.00100.00 C HETATM 793 O TPO A 51 -16.533 26.530 -0.126 1.00100.00 O HETATM 0 HG23 TPO A 51 -14.748 23.744 3.588 1.00100.00 H new HETATM 0 HG22 TPO A 51 -15.935 24.878 4.274 1.00100.00 H new HETATM 0 HG21 TPO A 51 -16.425 23.217 3.864 1.00100.00 H new HETATM 0 HB TPO A 51 -16.014 23.686 1.473 1.00100.00 H new HETATM 0 HA TPO A 51 -14.267 25.416 1.963 1.00100.00 H new ATOM 800 N ASP A 52 -14.515 25.568 -0.566 1.00100.00 N ATOM 801 CA ASP A 52 -14.567 25.769 -1.993 1.00100.00 C ATOM 802 C ASP A 52 -15.622 24.857 -2.558 1.00100.00 C ATOM 803 O ASP A 52 -15.715 23.678 -2.204 1.00100.00 O ATOM 804 CB ASP A 52 -13.221 25.477 -2.708 1.00100.00 C ATOM 805 CG ASP A 52 -13.224 25.935 -4.164 1.00100.00 C ATOM 806 OD1 ASP A 52 -13.998 25.355 -4.955 1.00100.00 O ATOM 807 OD2 ASP A 52 -12.438 26.861 -4.459 1.00100.00 O ATOM 0 H ASP A 52 -13.666 25.103 -0.245 1.00100.00 H new ATOM 0 HA ASP A 52 -14.795 26.821 -2.166 1.00100.00 H new ATOM 0 HB2 ASP A 52 -12.413 25.978 -2.174 1.00100.00 H new ATOM 0 HB3 ASP A 52 -13.015 24.407 -2.667 1.00100.00 H new ATOM 812 N GLY A 53 -16.462 25.440 -3.437 1.00100.00 N ATOM 813 CA GLY A 53 -17.529 24.756 -4.103 1.00100.00 C ATOM 814 C GLY A 53 -17.004 24.545 -5.476 1.00100.00 C ATOM 815 O GLY A 53 -16.259 23.589 -5.703 1.00100.00 O ATOM 0 H GLY A 53 -16.394 26.425 -3.693 1.00100.00 H new ATOM 0 HA2 GLY A 53 -17.766 23.811 -3.615 1.00100.00 H new ATOM 0 HA3 GLY A 53 -18.443 25.349 -4.110 1.00100.00 H new ATOM 819 N GLU A 54 -17.403 25.426 -6.423 1.00100.00 N ATOM 820 CA GLU A 54 -16.918 25.309 -7.769 1.00100.00 C ATOM 821 C GLU A 54 -16.168 26.563 -8.092 1.00100.00 C ATOM 822 O GLU A 54 -16.759 27.615 -8.351 1.00100.00 O ATOM 823 CB GLU A 54 -18.020 25.058 -8.822 1.00100.00 C ATOM 824 CG GLU A 54 -18.712 23.728 -8.530 1.00100.00 C ATOM 825 CD GLU A 54 -19.776 23.427 -9.577 1.00100.00 C ATOM 826 OE1 GLU A 54 -20.849 24.062 -9.494 1.00100.00 O ATOM 827 OE2 GLU A 54 -19.496 22.568 -10.441 1.00100.00 O ATOM 0 H GLU A 54 -18.046 26.201 -6.261 1.00100.00 H new ATOM 0 HA GLU A 54 -16.278 24.428 -7.816 1.00100.00 H new ATOM 0 HB2 GLU A 54 -18.747 25.870 -8.803 1.00100.00 H new ATOM 0 HB3 GLU A 54 -17.586 25.042 -9.822 1.00100.00 H new ATOM 0 HG2 GLU A 54 -17.974 22.926 -8.514 1.00100.00 H new ATOM 0 HG3 GLU A 54 -19.169 23.761 -7.541 1.00100.00 H new ATOM 834 N ASP A 55 -14.816 26.446 -8.056 1.00100.00 N ATOM 835 CA ASP A 55 -13.837 27.474 -8.338 1.00100.00 C ATOM 836 C ASP A 55 -14.067 28.736 -7.541 1.00100.00 C ATOM 837 O ASP A 55 -13.921 29.850 -8.053 1.00100.00 O ATOM 838 CB ASP A 55 -13.706 27.787 -9.860 1.00100.00 C ATOM 839 CG ASP A 55 -13.282 26.540 -10.626 1.00100.00 C ATOM 840 OD1 ASP A 55 -12.186 26.028 -10.313 1.00100.00 O ATOM 841 OD2 ASP A 55 -14.063 26.122 -11.508 1.00100.00 O ATOM 0 H ASP A 55 -14.372 25.561 -7.810 1.00100.00 H new ATOM 0 HA ASP A 55 -12.884 27.057 -8.014 1.00100.00 H new ATOM 0 HB2 ASP A 55 -14.658 28.152 -10.246 1.00100.00 H new ATOM 0 HB3 ASP A 55 -12.975 28.581 -10.013 1.00100.00 H new ATOM 846 N ASP A 56 -14.448 28.571 -6.249 1.00100.00 N ATOM 847 CA ASP A 56 -14.713 29.683 -5.367 1.00100.00 C ATOM 848 C ASP A 56 -13.469 30.480 -5.101 1.00100.00 C ATOM 849 O ASP A 56 -13.507 31.712 -5.119 1.00100.00 O ATOM 850 CB ASP A 56 -15.349 29.268 -4.021 1.00100.00 C ATOM 851 CG ASP A 56 -16.759 28.713 -4.196 1.00100.00 C ATOM 852 OD1 ASP A 56 -17.294 28.829 -5.321 1.00100.00 O ATOM 853 OD2 ASP A 56 -17.285 28.190 -3.190 1.00100.00 O ATOM 0 H ASP A 56 -14.573 27.658 -5.812 1.00100.00 H new ATOM 0 HA ASP A 56 -15.441 30.298 -5.897 1.00100.00 H new ATOM 0 HB2 ASP A 56 -14.722 28.517 -3.541 1.00100.00 H new ATOM 0 HB3 ASP A 56 -15.380 30.130 -3.355 1.00100.00 H new ATOM 858 N VAL A 57 -12.333 29.777 -4.880 1.00100.00 N ATOM 859 CA VAL A 57 -11.063 30.402 -4.622 1.00100.00 C ATOM 860 C VAL A 57 -10.529 31.003 -5.905 1.00100.00 C ATOM 861 O VAL A 57 -10.901 30.586 -7.005 1.00100.00 O ATOM 862 CB VAL A 57 -10.088 29.463 -3.915 1.00100.00 C ATOM 863 CG1 VAL A 57 -9.551 28.405 -4.879 1.00100.00 C ATOM 864 CG2 VAL A 57 -8.925 30.231 -3.287 1.00100.00 C ATOM 0 H VAL A 57 -12.297 28.758 -4.881 1.00100.00 H new ATOM 0 HA VAL A 57 -11.199 31.220 -3.915 1.00100.00 H new ATOM 0 HB VAL A 57 -10.641 28.966 -3.118 1.00100.00 H new ATOM 0 HG11 VAL A 57 -8.859 27.749 -4.351 1.00100.00 H new ATOM 0 HG12 VAL A 57 -10.380 27.817 -5.272 1.00100.00 H new ATOM 0 HG13 VAL A 57 -9.030 28.894 -5.703 1.00100.00 H new ATOM 0 HG21 VAL A 57 -8.251 29.531 -2.793 1.00100.00 H new ATOM 0 HG22 VAL A 57 -8.382 30.769 -4.064 1.00100.00 H new ATOM 0 HG23 VAL A 57 -9.311 30.941 -2.556 1.00100.00 H new ATOM 874 N PHE A 58 -9.635 32.015 -5.765 1.00100.00 N ATOM 875 CA PHE A 58 -9.011 32.753 -6.840 1.00100.00 C ATOM 876 C PHE A 58 -10.058 33.385 -7.729 1.00100.00 C ATOM 877 O PHE A 58 -9.964 33.349 -8.960 1.00100.00 O ATOM 878 CB PHE A 58 -8.028 31.930 -7.738 1.00100.00 C ATOM 879 CG PHE A 58 -6.917 31.260 -6.966 1.00100.00 C ATOM 880 CD1 PHE A 58 -5.921 32.035 -6.356 1.00100.00 C ATOM 881 CD2 PHE A 58 -6.879 29.862 -6.864 1.00100.00 C ATOM 882 CE1 PHE A 58 -4.892 31.413 -5.636 1.00100.00 C ATOM 883 CE2 PHE A 58 -5.853 29.240 -6.140 1.00100.00 C ATOM 884 CZ PHE A 58 -4.861 30.017 -5.526 1.00100.00 C ATOM 0 H PHE A 58 -9.330 32.337 -4.846 1.00100.00 H new ATOM 0 HA PHE A 58 -8.408 33.505 -6.332 1.00100.00 H new ATOM 0 HB2 PHE A 58 -8.593 31.170 -8.278 1.00100.00 H new ATOM 0 HB3 PHE A 58 -7.591 32.593 -8.485 1.00100.00 H new ATOM 0 HD1 PHE A 58 -5.947 33.111 -6.441 1.00100.00 H new ATOM 0 HD2 PHE A 58 -7.640 29.265 -7.343 1.00100.00 H new ATOM 0 HE1 PHE A 58 -4.124 32.009 -5.166 1.00100.00 H new ATOM 0 HE2 PHE A 58 -5.827 28.164 -6.055 1.00100.00 H new ATOM 0 HZ PHE A 58 -4.071 29.538 -4.967 1.00100.00 H new ATOM 894 N ASP A 59 -11.109 33.972 -7.097 1.00100.00 N ATOM 895 CA ASP A 59 -12.177 34.632 -7.809 1.00100.00 C ATOM 896 C ASP A 59 -11.623 35.800 -8.620 1.00100.00 C ATOM 897 O ASP A 59 -11.964 35.865 -9.804 1.00100.00 O ATOM 898 CB ASP A 59 -13.343 35.070 -6.876 1.00100.00 C ATOM 899 CG ASP A 59 -14.461 35.718 -7.680 1.00100.00 C ATOM 900 OD1 ASP A 59 -15.115 34.975 -8.444 1.00100.00 O ATOM 901 OD2 ASP A 59 -14.639 36.945 -7.520 1.00100.00 O ATOM 0 H ASP A 59 -11.217 33.988 -6.083 1.00100.00 H new ATOM 0 HA ASP A 59 -12.611 33.908 -8.498 1.00100.00 H new ATOM 0 HB2 ASP A 59 -13.730 34.204 -6.338 1.00100.00 H new ATOM 0 HB3 ASP A 59 -12.973 35.771 -6.128 1.00100.00 H new ATOM 906 N PRO A 60 -10.752 36.722 -8.079 1.00100.00 N ATOM 907 CA PRO A 60 -10.184 37.789 -8.878 1.00100.00 C ATOM 908 C PRO A 60 -9.126 37.216 -9.802 1.00100.00 C ATOM 909 O PRO A 60 -8.588 36.144 -9.507 1.00100.00 O ATOM 910 CB PRO A 60 -9.632 38.811 -7.884 1.00100.00 C ATOM 911 CG PRO A 60 -9.242 37.918 -6.705 1.00100.00 C ATOM 912 CD PRO A 60 -10.315 36.828 -6.701 1.00100.00 C ATOM 0 HA PRO A 60 -10.913 38.276 -9.526 1.00100.00 H new ATOM 0 HB2 PRO A 60 -8.777 39.353 -8.287 1.00100.00 H new ATOM 0 HB3 PRO A 60 -10.378 39.555 -7.605 1.00100.00 H new ATOM 0 HG2 PRO A 60 -8.245 37.497 -6.835 1.00100.00 H new ATOM 0 HG3 PRO A 60 -9.234 38.474 -5.768 1.00100.00 H new ATOM 0 HD2 PRO A 60 -9.913 35.881 -6.341 1.00100.00 H new ATOM 0 HD3 PRO A 60 -11.143 37.093 -6.044 1.00100.00 H new ATOM 920 N ASP A 61 -8.817 37.916 -10.919 1.00100.00 N ATOM 921 CA ASP A 61 -7.830 37.461 -11.868 1.00100.00 C ATOM 922 C ASP A 61 -6.477 37.547 -11.215 1.00100.00 C ATOM 923 O ASP A 61 -6.125 38.569 -10.618 1.00100.00 O ATOM 924 CB ASP A 61 -7.807 38.302 -13.171 1.00100.00 C ATOM 925 CG ASP A 61 -6.747 37.772 -14.129 1.00100.00 C ATOM 926 OD1 ASP A 61 -7.066 36.802 -14.850 1.00100.00 O ATOM 927 OD2 ASP A 61 -5.634 38.339 -14.113 1.00100.00 O ATOM 0 H ASP A 61 -9.254 38.804 -11.167 1.00100.00 H new ATOM 0 HA ASP A 61 -8.087 36.440 -12.149 1.00100.00 H new ATOM 0 HB2 ASP A 61 -8.786 38.270 -13.649 1.00100.00 H new ATOM 0 HB3 ASP A 61 -7.602 39.346 -12.934 1.00100.00 H new ATOM 932 N LEU A 62 -5.720 36.433 -11.309 1.00100.00 N ATOM 933 CA LEU A 62 -4.408 36.347 -10.738 1.00100.00 C ATOM 934 C LEU A 62 -3.441 36.118 -11.866 1.00100.00 C ATOM 935 O LEU A 62 -2.480 36.874 -12.011 1.00100.00 O ATOM 936 CB LEU A 62 -4.312 35.200 -9.695 1.00100.00 C ATOM 937 CG LEU A 62 -2.888 34.998 -9.172 1.00100.00 C ATOM 938 CD1 LEU A 62 -2.399 36.241 -8.429 1.00100.00 C ATOM 939 CD2 LEU A 62 -2.874 33.800 -8.223 1.00100.00 C ATOM 0 H LEU A 62 -6.023 35.584 -11.786 1.00100.00 H new ATOM 0 HA LEU A 62 -4.174 37.270 -10.208 1.00100.00 H new ATOM 0 HB2 LEU A 62 -4.975 35.419 -8.858 1.00100.00 H new ATOM 0 HB3 LEU A 62 -4.664 34.273 -10.147 1.00100.00 H new ATOM 0 HG LEU A 62 -2.224 34.820 -10.017 1.00100.00 H new ATOM 0 HD11 LEU A 62 -1.385 36.073 -8.067 1.00100.00 H new ATOM 0 HD12 LEU A 62 -2.406 37.096 -9.106 1.00100.00 H new ATOM 0 HD13 LEU A 62 -3.057 36.442 -7.584 1.00100.00 H new ATOM 0 HD21 LEU A 62 -1.863 33.647 -7.845 1.00100.00 H new ATOM 0 HD22 LEU A 62 -3.549 33.989 -7.388 1.00100.00 H new ATOM 0 HD23 LEU A 62 -3.199 32.908 -8.758 1.00100.00 H new ATOM 951 N ASP A 63 -3.699 35.081 -12.699 1.00100.00 N ATOM 952 CA ASP A 63 -2.852 34.741 -13.815 1.00100.00 C ATOM 953 C ASP A 63 -3.728 34.639 -15.040 1.00100.00 C ATOM 954 O ASP A 63 -4.926 34.360 -14.945 1.00100.00 O ATOM 955 CB ASP A 63 -2.120 33.383 -13.607 1.00100.00 C ATOM 956 CG ASP A 63 -1.125 33.120 -14.728 1.00100.00 C ATOM 957 OD1 ASP A 63 -0.137 33.883 -14.799 1.00100.00 O ATOM 958 OD2 ASP A 63 -1.370 32.164 -15.495 1.00100.00 O ATOM 0 H ASP A 63 -4.508 34.469 -12.596 1.00100.00 H new ATOM 0 HA ASP A 63 -2.088 35.512 -13.920 1.00100.00 H new ATOM 0 HB2 ASP A 63 -1.600 33.390 -12.649 1.00100.00 H new ATOM 0 HB3 ASP A 63 -2.850 32.575 -13.568 1.00100.00 H new ATOM 963 N MET A 64 -3.124 34.901 -16.226 1.00100.00 N ATOM 964 CA MET A 64 -3.782 34.849 -17.513 1.00100.00 C ATOM 965 C MET A 64 -4.276 33.461 -17.830 1.00100.00 C ATOM 966 O MET A 64 -5.445 33.285 -18.179 1.00100.00 O ATOM 967 CB MET A 64 -2.855 35.271 -18.675 1.00100.00 C ATOM 968 CG MET A 64 -2.350 36.696 -18.460 1.00100.00 C ATOM 969 SD MET A 64 -3.655 37.939 -18.277 1.00100.00 S ATOM 970 CE MET A 64 -4.497 37.732 -19.865 1.00100.00 C ATOM 0 H MET A 64 -2.139 35.159 -16.292 1.00100.00 H new ATOM 0 HA MET A 64 -4.613 35.549 -17.430 1.00100.00 H new ATOM 0 HB2 MET A 64 -2.011 34.585 -18.743 1.00100.00 H new ATOM 0 HB3 MET A 64 -3.394 35.208 -19.620 1.00100.00 H new ATOM 0 HG2 MET A 64 -1.722 36.714 -17.570 1.00100.00 H new ATOM 0 HG3 MET A 64 -1.717 36.974 -19.303 1.00100.00 H new ATOM 0 HE1 MET A 64 -5.180 38.566 -20.026 1.00100.00 H new ATOM 0 HE2 MET A 64 -3.760 37.707 -20.667 1.00100.00 H new ATOM 0 HE3 MET A 64 -5.060 36.798 -19.860 1.00100.00 H new ATOM 980 N GLU A 65 -3.440 32.433 -17.553 1.00100.00 N ATOM 981 CA GLU A 65 -3.801 31.065 -17.807 1.00100.00 C ATOM 982 C GLU A 65 -4.503 30.588 -16.573 1.00100.00 C ATOM 983 O GLU A 65 -4.017 30.785 -15.455 1.00100.00 O ATOM 984 CB GLU A 65 -2.583 30.168 -18.117 1.00100.00 C ATOM 985 CG GLU A 65 -3.047 28.760 -18.483 1.00100.00 C ATOM 986 CD GLU A 65 -1.860 27.878 -18.845 1.00100.00 C ATOM 987 OE1 GLU A 65 -1.491 27.884 -20.039 1.00100.00 O ATOM 988 OE2 GLU A 65 -1.339 27.218 -17.920 1.00100.00 O ATOM 0 H GLU A 65 -2.510 32.552 -17.151 1.00100.00 H new ATOM 0 HA GLU A 65 -4.434 31.007 -18.693 1.00100.00 H new ATOM 0 HB2 GLU A 65 -2.007 30.594 -18.938 1.00100.00 H new ATOM 0 HB3 GLU A 65 -1.922 30.128 -17.251 1.00100.00 H new ATOM 0 HG2 GLU A 65 -3.590 28.322 -17.646 1.00100.00 H new ATOM 0 HG3 GLU A 65 -3.740 28.807 -19.323 1.00100.00 H new ATOM 995 N VAL A 66 -5.694 29.972 -16.770 1.00100.00 N ATOM 996 CA VAL A 66 -6.453 29.495 -15.650 1.00100.00 C ATOM 997 C VAL A 66 -6.135 28.042 -15.455 1.00100.00 C ATOM 998 O VAL A 66 -6.471 27.175 -16.267 1.00100.00 O ATOM 999 CB VAL A 66 -7.958 29.712 -15.759 1.00100.00 C ATOM 1000 CG1 VAL A 66 -8.653 29.201 -14.497 1.00100.00 C ATOM 1001 CG2 VAL A 66 -8.246 31.203 -15.926 1.00100.00 C ATOM 0 H VAL A 66 -6.120 29.809 -17.682 1.00100.00 H new ATOM 0 HA VAL A 66 -6.158 30.087 -14.784 1.00100.00 H new ATOM 0 HB VAL A 66 -8.335 29.164 -16.623 1.00100.00 H new ATOM 0 HG11 VAL A 66 -9.728 29.360 -14.584 1.00100.00 H new ATOM 0 HG12 VAL A 66 -8.452 28.136 -14.377 1.00100.00 H new ATOM 0 HG13 VAL A 66 -8.275 29.742 -13.629 1.00100.00 H new ATOM 0 HG21 VAL A 66 -9.322 31.359 -16.004 1.00100.00 H new ATOM 0 HG22 VAL A 66 -7.862 31.747 -15.063 1.00100.00 H new ATOM 0 HG23 VAL A 66 -7.760 31.568 -16.831 1.00100.00 H new ATOM 1011 N VAL A 67 -5.419 27.795 -14.344 1.00100.00 N ATOM 1012 CA VAL A 67 -5.008 26.494 -13.881 1.00100.00 C ATOM 1013 C VAL A 67 -5.469 26.560 -12.446 1.00100.00 C ATOM 1014 O VAL A 67 -5.289 27.591 -11.789 1.00100.00 O ATOM 1015 CB VAL A 67 -3.501 26.253 -13.886 1.00100.00 C ATOM 1016 CG1 VAL A 67 -3.184 24.841 -13.394 1.00100.00 C ATOM 1017 CG2 VAL A 67 -2.962 26.430 -15.304 1.00100.00 C ATOM 0 H VAL A 67 -5.105 28.545 -13.728 1.00100.00 H new ATOM 0 HA VAL A 67 -5.407 25.700 -14.512 1.00100.00 H new ATOM 0 HB VAL A 67 -3.028 26.973 -13.218 1.00100.00 H new ATOM 0 HG11 VAL A 67 -2.105 24.686 -13.404 1.00100.00 H new ATOM 0 HG12 VAL A 67 -3.559 24.717 -12.378 1.00100.00 H new ATOM 0 HG13 VAL A 67 -3.661 24.112 -14.049 1.00100.00 H new ATOM 0 HG21 VAL A 67 -1.886 26.258 -15.308 1.00100.00 H new ATOM 0 HG22 VAL A 67 -3.446 25.715 -15.969 1.00100.00 H new ATOM 0 HG23 VAL A 67 -3.169 27.443 -15.648 1.00100.00 H new ATOM 1027 N PHE A 68 -6.101 25.479 -11.925 1.00100.00 N ATOM 1028 CA PHE A 68 -6.570 25.475 -10.556 1.00100.00 C ATOM 1029 C PHE A 68 -5.370 25.586 -9.636 1.00100.00 C ATOM 1030 O PHE A 68 -5.409 26.350 -8.669 1.00100.00 O ATOM 1031 CB PHE A 68 -7.437 24.240 -10.189 1.00100.00 C ATOM 1032 CG PHE A 68 -8.090 24.382 -8.831 1.00100.00 C ATOM 1033 CD1 PHE A 68 -9.215 25.206 -8.681 1.00100.00 C ATOM 1034 CD2 PHE A 68 -7.562 23.712 -7.718 1.00100.00 C ATOM 1035 CE1 PHE A 68 -9.813 25.359 -7.422 1.00100.00 C ATOM 1036 CE2 PHE A 68 -8.164 23.861 -6.460 1.00100.00 C ATOM 1037 CZ PHE A 68 -9.287 24.686 -6.311 1.00100.00 C ATOM 0 H PHE A 68 -6.286 24.619 -12.441 1.00100.00 H new ATOM 0 HA PHE A 68 -7.233 26.331 -10.434 1.00100.00 H new ATOM 0 HB2 PHE A 68 -8.207 24.101 -10.948 1.00100.00 H new ATOM 0 HB3 PHE A 68 -6.814 23.345 -10.199 1.00100.00 H new ATOM 0 HD1 PHE A 68 -9.622 25.724 -9.537 1.00100.00 H new ATOM 0 HD2 PHE A 68 -6.692 23.082 -7.829 1.00100.00 H new ATOM 0 HE1 PHE A 68 -10.678 25.995 -7.309 1.00100.00 H new ATOM 0 HE2 PHE A 68 -7.761 23.339 -5.605 1.00100.00 H new ATOM 0 HZ PHE A 68 -9.747 24.803 -5.341 1.00100.00 H new ATOM 1047 N GLU A 69 -4.270 24.857 -9.947 1.00100.00 N ATOM 1048 CA GLU A 69 -3.086 24.917 -9.137 1.00100.00 C ATOM 1049 C GLU A 69 -2.232 26.046 -9.622 1.00100.00 C ATOM 1050 O GLU A 69 -1.432 25.906 -10.552 1.00100.00 O ATOM 1051 CB GLU A 69 -2.242 23.629 -9.134 1.00100.00 C ATOM 1052 CG GLU A 69 -3.036 22.462 -8.558 1.00100.00 C ATOM 1053 CD GLU A 69 -2.151 21.236 -8.369 1.00100.00 C ATOM 1054 OE1 GLU A 69 -1.561 20.797 -9.380 1.00100.00 O ATOM 1055 OE2 GLU A 69 -2.080 20.764 -7.213 1.00100.00 O ATOM 0 H GLU A 69 -4.204 24.233 -10.751 1.00100.00 H new ATOM 0 HA GLU A 69 -3.426 25.060 -8.111 1.00100.00 H new ATOM 0 HB2 GLU A 69 -1.926 23.393 -10.150 1.00100.00 H new ATOM 0 HB3 GLU A 69 -1.337 23.784 -8.547 1.00100.00 H new ATOM 0 HG2 GLU A 69 -3.471 22.751 -7.601 1.00100.00 H new ATOM 0 HG3 GLU A 69 -3.864 22.218 -9.224 1.00100.00 H new ATOM 1062 N THR A 70 -2.430 27.217 -8.988 1.00100.00 N ATOM 1063 CA THR A 70 -1.683 28.399 -9.303 1.00100.00 C ATOM 1064 C THR A 70 -1.085 28.818 -7.995 1.00100.00 C ATOM 1065 O THR A 70 -1.761 28.857 -6.962 1.00100.00 O ATOM 1066 CB THR A 70 -2.518 29.529 -9.874 1.00100.00 C ATOM 1067 OG1 THR A 70 -3.085 29.107 -11.094 1.00100.00 O ATOM 1068 CG2 THR A 70 -1.655 30.765 -10.128 1.00100.00 C ATOM 0 H THR A 70 -3.118 27.346 -8.246 1.00100.00 H new ATOM 0 HA THR A 70 -0.952 28.181 -10.082 1.00100.00 H new ATOM 0 HB THR A 70 -3.298 29.787 -9.158 1.00100.00 H new ATOM 0 HG1 THR A 70 -3.884 28.569 -10.915 1.00100.00 H new ATOM 0 HG21 THR A 70 -2.274 31.563 -10.537 1.00100.00 H new ATOM 0 HG22 THR A 70 -1.209 31.096 -9.190 1.00100.00 H new ATOM 0 HG23 THR A 70 -0.865 30.518 -10.838 1.00100.00 H new ATOM 1076 N GLN A 71 0.231 29.100 -8.026 1.00100.00 N ATOM 1077 CA GLN A 71 0.949 29.523 -6.863 1.00100.00 C ATOM 1078 C GLN A 71 0.979 31.048 -6.940 1.00100.00 C ATOM 1079 O GLN A 71 1.495 31.604 -7.947 1.00100.00 O ATOM 1080 CB GLN A 71 2.391 28.979 -6.819 1.00100.00 C ATOM 1081 CG GLN A 71 2.413 27.490 -6.471 1.00100.00 C ATOM 1082 CD GLN A 71 1.758 26.640 -7.553 1.00100.00 C ATOM 1083 OE1 GLN A 71 2.196 26.646 -8.702 1.00100.00 O ATOM 1084 NE2 GLN A 71 0.707 25.905 -7.182 1.00100.00 N ATOM 1085 OXT GLN A 71 0.479 31.675 -5.981 1.00100.00 O ATOM 0 H GLN A 71 0.803 29.034 -8.868 1.00100.00 H new ATOM 0 HA GLN A 71 0.461 29.146 -5.964 1.00100.00 H new ATOM 0 HB2 GLN A 71 2.871 29.136 -7.785 1.00100.00 H new ATOM 0 HB3 GLN A 71 2.970 29.536 -6.082 1.00100.00 H new ATOM 0 HG2 GLN A 71 3.444 27.166 -6.330 1.00100.00 H new ATOM 0 HG3 GLN A 71 1.897 27.332 -5.524 1.00100.00 H new ATOM 0 HE21 GLN A 71 0.380 25.933 -6.216 1.00100.00 H new ATOM 0 HE22 GLN A 71 0.231 25.315 -7.864 1.00100.00 H new TER 1094 GLN A 71 HETATM 1095 ZN ZN A 101 -10.138 19.598 -2.417 1.00 73.25 ZN