USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 518 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 GLN : amide:sc= -0.107 K(o=-0.025,f=-3.2) USER MOD Set 1.2: A 52 TYR OH : rot 180:sc= 0.082 USER MOD Set 2.1: A 34 CYS SG : rot 180:sc= -2.21! USER MOD Set 2.2: A 54 CYS SG : rot 180:sc= -3.81! USER MOD Set 3.1: A 5 CYS SG : rot 130:sc= -1.83! USER MOD Set 3.2: A 8 CYS SG : rot -162:sc= 0.438 USER MOD Set 3.3: A 21 CYS SG : rot 158:sc= 1.14 USER MOD Set 3.4: A 23 THR OG1 : rot 31:sc= 1.47 USER MOD Set 3.5: A 24 CYS SG : rot 71:sc= -2.14! USER MOD Set 3.6: A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 HIS : no HD1:sc= -0.444 X(o=-0.44,f=-0.44) USER MOD Single : A 10 HIS : no HE2:sc= 1.17 K(o=1.2,f=-3.9!) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 HIS : no HE2:sc= 0.515 K(o=1.7,f=-7.9!) USER MOD Single : A 29 SER OG : rot 93:sc= 0.154 USER MOD Single : A 37 CYS SG : rot -34:sc= 0.252 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 42 GLN : amide:sc= -0.93 K(o=-0.93,f=-5.1!) USER MOD Single : A 45 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0133) USER MOD Single : A 47 CYS SG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.525 X(o=-0.53,f=-0.17) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 58 HIS : no HE2:sc= -3.3! C(o=-3.3!,f=-3.5!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.122 K(o=-0.12,f=-0.65) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 10.744 2.350 4.579 1.00 0.00 N ATOM 21 CA GLU A 2 10.224 3.653 4.201 1.00 0.00 C ATOM 22 C GLU A 2 10.141 3.759 2.683 1.00 0.00 C ATOM 23 O GLU A 2 11.120 3.499 1.981 1.00 0.00 O ATOM 24 CB GLU A 2 11.119 4.760 4.768 1.00 0.00 C ATOM 25 CG GLU A 2 10.640 6.168 4.454 1.00 0.00 C ATOM 26 CD GLU A 2 11.522 7.229 5.080 1.00 0.00 C ATOM 27 OE1 GLU A 2 12.626 7.476 4.554 1.00 0.00 O ATOM 28 OE2 GLU A 2 11.118 7.819 6.105 1.00 0.00 O ATOM 0 HA GLU A 2 9.222 3.771 4.614 1.00 0.00 H new ATOM 0 HB2 GLU A 2 11.183 4.642 5.850 1.00 0.00 H new ATOM 0 HB3 GLU A 2 12.127 4.635 4.374 1.00 0.00 H new ATOM 0 HG2 GLU A 2 10.617 6.309 3.373 1.00 0.00 H new ATOM 0 HG3 GLU A 2 9.618 6.290 4.813 1.00 0.00 H new ATOM 35 N ILE A 3 8.974 4.124 2.180 1.00 0.00 N ATOM 36 CA ILE A 3 8.768 4.229 0.744 1.00 0.00 C ATOM 37 C ILE A 3 9.368 5.516 0.179 1.00 0.00 C ATOM 38 O ILE A 3 9.114 6.616 0.673 1.00 0.00 O ATOM 39 CB ILE A 3 7.272 4.109 0.353 1.00 0.00 C ATOM 40 CG1 ILE A 3 6.340 4.516 1.506 1.00 0.00 C ATOM 41 CG2 ILE A 3 6.962 2.690 -0.095 1.00 0.00 C ATOM 42 CD1 ILE A 3 6.290 6.002 1.777 1.00 0.00 C ATOM 0 H ILE A 3 8.155 4.353 2.743 1.00 0.00 H new ATOM 0 HA ILE A 3 9.293 3.384 0.298 1.00 0.00 H new ATOM 0 HB ILE A 3 7.092 4.799 -0.472 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.332 4.166 1.282 1.00 0.00 H new ATOM 0 HG13 ILE A 3 6.661 4.005 2.414 1.00 0.00 H new ATOM 0 HG21 ILE A 3 5.909 2.616 -0.367 1.00 0.00 H new ATOM 0 HG22 ILE A 3 7.579 2.438 -0.958 1.00 0.00 H new ATOM 0 HG23 ILE A 3 7.176 1.997 0.719 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.609 6.198 2.605 1.00 0.00 H new ATOM 0 HD12 ILE A 3 7.287 6.359 2.035 1.00 0.00 H new ATOM 0 HD13 ILE A 3 5.938 6.523 0.886 1.00 0.00 H new ATOM 54 N THR A 4 10.181 5.360 -0.849 1.00 0.00 N ATOM 55 CA THR A 4 10.821 6.488 -1.503 1.00 0.00 C ATOM 56 C THR A 4 10.332 6.623 -2.934 1.00 0.00 C ATOM 57 O THR A 4 9.865 5.651 -3.533 1.00 0.00 O ATOM 58 CB THR A 4 12.358 6.340 -1.523 1.00 0.00 C ATOM 59 OG1 THR A 4 12.719 4.965 -1.707 1.00 0.00 O ATOM 60 CG2 THR A 4 12.993 6.876 -0.252 1.00 0.00 C ATOM 0 H THR A 4 10.416 4.453 -1.253 1.00 0.00 H new ATOM 0 HA THR A 4 10.557 7.377 -0.930 1.00 0.00 H new ATOM 0 HB THR A 4 12.734 6.931 -2.358 1.00 0.00 H new ATOM 0 HG1 THR A 4 13.695 4.882 -1.720 1.00 0.00 H new ATOM 0 HG21 THR A 4 14.075 6.753 -0.306 1.00 0.00 H new ATOM 0 HG22 THR A 4 12.753 7.934 -0.143 1.00 0.00 H new ATOM 0 HG23 THR A 4 12.608 6.326 0.607 1.00 0.00 H new ATOM 68 N CYS A 5 10.420 7.829 -3.474 1.00 0.00 N ATOM 69 CA CYS A 5 10.151 8.044 -4.882 1.00 0.00 C ATOM 70 C CYS A 5 11.345 7.544 -5.682 1.00 0.00 C ATOM 71 O CYS A 5 12.426 8.127 -5.610 1.00 0.00 O ATOM 72 CB CYS A 5 9.906 9.528 -5.163 1.00 0.00 C ATOM 73 SG CYS A 5 9.442 9.897 -6.872 1.00 0.00 S ATOM 0 H CYS A 5 10.675 8.671 -2.957 1.00 0.00 H new ATOM 0 HA CYS A 5 9.253 7.498 -5.172 1.00 0.00 H new ATOM 0 HB2 CYS A 5 9.118 9.886 -4.500 1.00 0.00 H new ATOM 0 HB3 CYS A 5 10.809 10.086 -4.916 1.00 0.00 H new ATOM 0 HG CYS A 5 8.377 10.642 -6.881 1.00 0.00 H new ATOM 78 N PRO A 6 11.167 6.456 -6.446 1.00 0.00 N ATOM 79 CA PRO A 6 12.272 5.780 -7.142 1.00 0.00 C ATOM 80 C PRO A 6 13.013 6.698 -8.109 1.00 0.00 C ATOM 81 O PRO A 6 14.196 6.504 -8.384 1.00 0.00 O ATOM 82 CB PRO A 6 11.581 4.639 -7.902 1.00 0.00 C ATOM 83 CG PRO A 6 10.142 5.019 -7.958 1.00 0.00 C ATOM 84 CD PRO A 6 9.876 5.806 -6.710 1.00 0.00 C ATOM 0 HA PRO A 6 13.036 5.440 -6.442 1.00 0.00 H new ATOM 0 HB2 PRO A 6 11.997 4.525 -8.903 1.00 0.00 H new ATOM 0 HB3 PRO A 6 11.717 3.686 -7.390 1.00 0.00 H new ATOM 0 HG2 PRO A 6 9.929 5.613 -8.847 1.00 0.00 H new ATOM 0 HG3 PRO A 6 9.506 4.135 -8.005 1.00 0.00 H new ATOM 0 HD2 PRO A 6 9.079 6.536 -6.855 1.00 0.00 H new ATOM 0 HD3 PRO A 6 9.572 5.162 -5.884 1.00 0.00 H new ATOM 92 N VAL A 7 12.325 7.718 -8.596 1.00 0.00 N ATOM 93 CA VAL A 7 12.903 8.615 -9.580 1.00 0.00 C ATOM 94 C VAL A 7 13.546 9.838 -8.910 1.00 0.00 C ATOM 95 O VAL A 7 14.221 10.630 -9.561 1.00 0.00 O ATOM 96 CB VAL A 7 11.832 9.058 -10.607 1.00 0.00 C ATOM 97 CG1 VAL A 7 10.810 9.985 -9.970 1.00 0.00 C ATOM 98 CG2 VAL A 7 12.470 9.708 -11.824 1.00 0.00 C ATOM 0 H VAL A 7 11.368 7.944 -8.326 1.00 0.00 H new ATOM 0 HA VAL A 7 13.687 8.072 -10.107 1.00 0.00 H new ATOM 0 HB VAL A 7 11.309 8.162 -10.943 1.00 0.00 H new ATOM 0 HG11 VAL A 7 10.071 10.279 -10.715 1.00 0.00 H new ATOM 0 HG12 VAL A 7 10.312 9.469 -9.149 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.313 10.873 -9.588 1.00 0.00 H new ATOM 0 HG21 VAL A 7 11.692 10.008 -12.526 1.00 0.00 H new ATOM 0 HG22 VAL A 7 13.036 10.586 -11.513 1.00 0.00 H new ATOM 0 HG23 VAL A 7 13.140 8.997 -12.307 1.00 0.00 H new ATOM 108 N CYS A 8 13.354 9.983 -7.604 1.00 0.00 N ATOM 109 CA CYS A 8 13.890 11.141 -6.891 1.00 0.00 C ATOM 110 C CYS A 8 14.782 10.750 -5.717 1.00 0.00 C ATOM 111 O CYS A 8 15.515 11.591 -5.197 1.00 0.00 O ATOM 112 CB CYS A 8 12.756 12.036 -6.392 1.00 0.00 C ATOM 113 SG CYS A 8 11.902 12.941 -7.700 1.00 0.00 S ATOM 0 H CYS A 8 12.838 9.323 -7.021 1.00 0.00 H new ATOM 0 HA CYS A 8 14.506 11.686 -7.607 1.00 0.00 H new ATOM 0 HB2 CYS A 8 12.032 11.422 -5.857 1.00 0.00 H new ATOM 0 HB3 CYS A 8 13.160 12.750 -5.675 1.00 0.00 H new ATOM 0 HG CYS A 8 11.244 13.935 -7.182 1.00 0.00 H new ATOM 118 N HIS A 9 14.685 9.493 -5.272 1.00 0.00 N ATOM 119 CA HIS A 9 15.474 9.003 -4.132 1.00 0.00 C ATOM 120 C HIS A 9 15.077 9.750 -2.849 1.00 0.00 C ATOM 121 O HIS A 9 15.738 9.659 -1.816 1.00 0.00 O ATOM 122 CB HIS A 9 16.978 9.150 -4.438 1.00 0.00 C ATOM 123 CG HIS A 9 17.906 8.735 -3.333 1.00 0.00 C ATOM 124 ND1 HIS A 9 18.868 9.573 -2.814 1.00 0.00 N ATOM 125 CD2 HIS A 9 18.019 7.569 -2.656 1.00 0.00 C ATOM 126 CE1 HIS A 9 19.531 8.942 -1.865 1.00 0.00 C ATOM 127 NE2 HIS A 9 19.036 7.726 -1.749 1.00 0.00 N ATOM 0 H HIS A 9 14.067 8.793 -5.683 1.00 0.00 H new ATOM 0 HA HIS A 9 15.265 7.945 -3.971 1.00 0.00 H new ATOM 0 HB2 HIS A 9 17.210 8.560 -5.325 1.00 0.00 H new ATOM 0 HB3 HIS A 9 17.180 10.192 -4.687 1.00 0.00 H new ATOM 0 HD2 HIS A 9 17.421 6.682 -2.802 1.00 0.00 H new ATOM 0 HE1 HIS A 9 20.342 9.352 -1.282 1.00 0.00 H new ATOM 0 HE2 HIS A 9 19.357 7.016 -1.091 1.00 0.00 H new ATOM 136 N HIS A 10 13.969 10.469 -2.925 1.00 0.00 N ATOM 137 CA HIS A 10 13.463 11.228 -1.793 1.00 0.00 C ATOM 138 C HIS A 10 12.334 10.468 -1.121 1.00 0.00 C ATOM 139 O HIS A 10 11.623 9.699 -1.772 1.00 0.00 O ATOM 140 CB HIS A 10 12.987 12.612 -2.244 1.00 0.00 C ATOM 141 CG HIS A 10 14.088 13.626 -2.349 1.00 0.00 C ATOM 142 ND1 HIS A 10 15.092 13.568 -3.297 1.00 0.00 N ATOM 143 CD2 HIS A 10 14.343 14.728 -1.605 1.00 0.00 C ATOM 144 CE1 HIS A 10 15.912 14.592 -3.129 1.00 0.00 C ATOM 145 NE2 HIS A 10 15.477 15.307 -2.111 1.00 0.00 N ATOM 0 H HIS A 10 13.398 10.543 -3.767 1.00 0.00 H new ATOM 0 HA HIS A 10 14.270 11.364 -1.073 1.00 0.00 H new ATOM 0 HB2 HIS A 10 12.497 12.520 -3.213 1.00 0.00 H new ATOM 0 HB3 HIS A 10 12.237 12.975 -1.541 1.00 0.00 H new ATOM 0 HD1 HIS A 10 15.186 12.848 -4.014 1.00 0.00 H new ATOM 0 HD2 HIS A 10 13.761 15.084 -0.768 1.00 0.00 H new ATOM 0 HE1 HIS A 10 16.788 14.806 -3.724 1.00 0.00 H new ATOM 154 N ALA A 11 12.181 10.677 0.175 1.00 0.00 N ATOM 155 CA ALA A 11 11.183 9.958 0.950 1.00 0.00 C ATOM 156 C ALA A 11 9.783 10.466 0.648 1.00 0.00 C ATOM 157 O ALA A 11 9.548 11.672 0.568 1.00 0.00 O ATOM 158 CB ALA A 11 11.477 10.085 2.436 1.00 0.00 C ATOM 0 H ALA A 11 12.737 11.341 0.715 1.00 0.00 H new ATOM 0 HA ALA A 11 11.231 8.907 0.667 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.722 9.542 3.004 1.00 0.00 H new ATOM 0 HB2 ALA A 11 12.461 9.668 2.649 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.459 11.137 2.722 1.00 0.00 H new ATOM 164 N LEU A 12 8.861 9.538 0.471 1.00 0.00 N ATOM 165 CA LEU A 12 7.469 9.882 0.260 1.00 0.00 C ATOM 166 C LEU A 12 6.792 10.084 1.603 1.00 0.00 C ATOM 167 O LEU A 12 6.724 9.153 2.405 1.00 0.00 O ATOM 168 CB LEU A 12 6.750 8.767 -0.500 1.00 0.00 C ATOM 169 CG LEU A 12 7.319 8.426 -1.873 1.00 0.00 C ATOM 170 CD1 LEU A 12 6.647 7.182 -2.426 1.00 0.00 C ATOM 171 CD2 LEU A 12 7.133 9.590 -2.827 1.00 0.00 C ATOM 0 H LEU A 12 9.053 8.536 0.469 1.00 0.00 H new ATOM 0 HA LEU A 12 7.421 10.799 -0.327 1.00 0.00 H new ATOM 0 HB2 LEU A 12 6.766 7.866 0.113 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.705 9.051 -0.621 1.00 0.00 H new ATOM 0 HG LEU A 12 8.386 8.231 -1.767 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.062 6.950 -3.407 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.820 6.344 -1.751 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.575 7.358 -2.518 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.544 9.330 -3.802 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.070 9.811 -2.929 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.650 10.467 -2.437 1.00 0.00 H new ATOM 183 N GLU A 13 6.303 11.285 1.864 1.00 0.00 N ATOM 184 CA GLU A 13 5.585 11.524 3.102 1.00 0.00 C ATOM 185 C GLU A 13 4.243 10.822 3.053 1.00 0.00 C ATOM 186 O GLU A 13 3.419 11.084 2.172 1.00 0.00 O ATOM 187 CB GLU A 13 5.385 13.014 3.384 1.00 0.00 C ATOM 188 CG GLU A 13 4.586 13.257 4.657 1.00 0.00 C ATOM 189 CD GLU A 13 4.490 14.715 5.045 1.00 0.00 C ATOM 190 OE1 GLU A 13 3.684 15.447 4.433 1.00 0.00 O ATOM 191 OE2 GLU A 13 5.197 15.123 5.989 1.00 0.00 O ATOM 0 H GLU A 13 6.388 12.094 1.249 1.00 0.00 H new ATOM 0 HA GLU A 13 6.190 11.123 3.915 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.357 13.499 3.469 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.871 13.476 2.541 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.580 12.858 4.526 1.00 0.00 H new ATOM 0 HG3 GLU A 13 5.045 12.702 5.475 1.00 0.00 H new ATOM 198 N ARG A 14 4.038 9.910 3.981 1.00 0.00 N ATOM 199 CA ARG A 14 2.793 9.179 4.055 1.00 0.00 C ATOM 200 C ARG A 14 1.761 9.996 4.818 1.00 0.00 C ATOM 201 O ARG A 14 1.899 10.221 6.017 1.00 0.00 O ATOM 202 CB ARG A 14 3.004 7.832 4.746 1.00 0.00 C ATOM 203 CG ARG A 14 1.790 6.920 4.679 1.00 0.00 C ATOM 204 CD ARG A 14 1.888 5.785 5.681 1.00 0.00 C ATOM 205 NE ARG A 14 1.914 6.285 7.052 1.00 0.00 N ATOM 206 CZ ARG A 14 0.997 5.996 7.971 1.00 0.00 C ATOM 207 NH1 ARG A 14 -0.033 5.206 7.676 1.00 0.00 N ATOM 208 NH2 ARG A 14 1.105 6.510 9.186 1.00 0.00 N ATOM 0 H ARG A 14 4.721 9.658 4.696 1.00 0.00 H new ATOM 0 HA ARG A 14 2.433 8.998 3.042 1.00 0.00 H new ATOM 0 HB2 ARG A 14 3.854 7.327 4.288 1.00 0.00 H new ATOM 0 HB3 ARG A 14 3.262 8.005 5.791 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.888 7.500 4.872 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.697 6.511 3.673 1.00 0.00 H new ATOM 0 HD2 ARG A 14 1.041 5.111 5.554 1.00 0.00 H new ATOM 0 HD3 ARG A 14 2.789 5.203 5.487 1.00 0.00 H new ATOM 0 HE ARG A 14 2.685 6.895 7.323 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -0.124 4.816 6.738 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -0.731 4.991 8.388 1.00 0.00 H new ATOM 0 HH21 ARG A 14 1.888 7.123 9.413 1.00 0.00 H new ATOM 0 HH22 ARG A 14 0.405 6.293 9.896 1.00 0.00 H new ATOM 222 N ASN A 15 0.735 10.453 4.115 1.00 0.00 N ATOM 223 CA ASN A 15 -0.355 11.187 4.752 1.00 0.00 C ATOM 224 C ASN A 15 -1.284 10.203 5.444 1.00 0.00 C ATOM 225 O ASN A 15 -2.141 10.575 6.241 1.00 0.00 O ATOM 226 CB ASN A 15 -1.142 12.008 3.724 1.00 0.00 C ATOM 227 CG ASN A 15 -0.282 13.015 2.983 1.00 0.00 C ATOM 228 OD1 ASN A 15 -0.092 14.144 3.434 1.00 0.00 O ATOM 229 ND2 ASN A 15 0.233 12.622 1.825 1.00 0.00 N ATOM 0 H ASN A 15 0.632 10.331 3.108 1.00 0.00 H new ATOM 0 HA ASN A 15 0.069 11.876 5.482 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -1.602 11.332 3.003 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -1.952 12.533 4.230 1.00 0.00 H new ATOM 0 HD21 ASN A 15 0.807 13.264 1.278 1.00 0.00 H new ATOM 0 HD22 ASN A 15 0.055 11.678 1.482 1.00 0.00 H new ATOM 236 N GLY A 16 -1.091 8.934 5.123 1.00 0.00 N ATOM 237 CA GLY A 16 -1.905 7.881 5.676 1.00 0.00 C ATOM 238 C GLY A 16 -2.283 6.880 4.614 1.00 0.00 C ATOM 239 O GLY A 16 -1.678 5.813 4.513 1.00 0.00 O ATOM 0 H GLY A 16 -0.370 8.614 4.477 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.363 7.380 6.478 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.806 8.306 6.118 1.00 0.00 H new ATOM 243 N ASP A 17 -3.257 7.251 3.797 1.00 0.00 N ATOM 244 CA ASP A 17 -3.744 6.389 2.725 1.00 0.00 C ATOM 245 C ASP A 17 -2.940 6.629 1.450 1.00 0.00 C ATOM 246 O ASP A 17 -2.995 5.848 0.499 1.00 0.00 O ATOM 247 CB ASP A 17 -5.224 6.683 2.451 1.00 0.00 C ATOM 248 CG ASP A 17 -6.028 6.882 3.723 1.00 0.00 C ATOM 249 OD1 ASP A 17 -6.045 8.019 4.246 1.00 0.00 O ATOM 250 OD2 ASP A 17 -6.640 5.911 4.208 1.00 0.00 O ATOM 0 H ASP A 17 -3.731 8.152 3.856 1.00 0.00 H new ATOM 0 HA ASP A 17 -3.628 5.350 3.034 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -5.304 7.577 1.832 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -5.654 5.860 1.880 1.00 0.00 H new ATOM 255 N THR A 18 -2.191 7.721 1.437 1.00 0.00 N ATOM 256 CA THR A 18 -1.470 8.141 0.245 1.00 0.00 C ATOM 257 C THR A 18 -0.062 8.628 0.597 1.00 0.00 C ATOM 258 O THR A 18 0.154 9.215 1.662 1.00 0.00 O ATOM 259 CB THR A 18 -2.250 9.264 -0.470 1.00 0.00 C ATOM 260 OG1 THR A 18 -3.612 8.858 -0.662 1.00 0.00 O ATOM 261 CG2 THR A 18 -1.631 9.604 -1.817 1.00 0.00 C ATOM 0 H THR A 18 -2.066 8.335 2.242 1.00 0.00 H new ATOM 0 HA THR A 18 -1.378 7.282 -0.420 1.00 0.00 H new ATOM 0 HB THR A 18 -2.208 10.154 0.158 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.106 9.573 -1.115 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.207 10.399 -2.292 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.603 9.937 -1.671 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.639 8.720 -2.455 1.00 0.00 H new ATOM 269 N ALA A 19 0.885 8.385 -0.301 1.00 0.00 N ATOM 270 CA ALA A 19 2.259 8.839 -0.123 1.00 0.00 C ATOM 271 C ALA A 19 2.564 9.934 -1.135 1.00 0.00 C ATOM 272 O ALA A 19 2.133 9.857 -2.281 1.00 0.00 O ATOM 273 CB ALA A 19 3.229 7.676 -0.283 1.00 0.00 C ATOM 0 H ALA A 19 0.724 7.871 -1.167 1.00 0.00 H new ATOM 0 HA ALA A 19 2.378 9.240 0.884 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.250 8.032 -0.147 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.009 6.913 0.464 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.124 7.249 -1.280 1.00 0.00 H new ATOM 279 N HIS A 20 3.295 10.951 -0.714 1.00 0.00 N ATOM 280 CA HIS A 20 3.460 12.147 -1.528 1.00 0.00 C ATOM 281 C HIS A 20 4.934 12.516 -1.711 1.00 0.00 C ATOM 282 O HIS A 20 5.686 12.603 -0.741 1.00 0.00 O ATOM 283 CB HIS A 20 2.692 13.294 -0.861 1.00 0.00 C ATOM 284 CG HIS A 20 2.777 14.608 -1.570 1.00 0.00 C ATOM 285 ND1 HIS A 20 1.865 15.014 -2.518 1.00 0.00 N ATOM 286 CD2 HIS A 20 3.661 15.622 -1.441 1.00 0.00 C ATOM 287 CE1 HIS A 20 2.186 16.222 -2.940 1.00 0.00 C ATOM 288 NE2 HIS A 20 3.272 16.613 -2.301 1.00 0.00 N ATOM 0 H HIS A 20 3.782 10.975 0.182 1.00 0.00 H new ATOM 0 HA HIS A 20 3.062 11.956 -2.525 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.643 13.010 -0.779 1.00 0.00 H new ATOM 0 HB3 HIS A 20 3.068 13.421 0.154 1.00 0.00 H new ATOM 0 HD1 HIS A 20 1.067 14.467 -2.843 1.00 0.00 H new ATOM 0 HD2 HIS A 20 4.516 15.646 -0.782 1.00 0.00 H new ATOM 0 HE1 HIS A 20 1.650 16.794 -3.683 1.00 0.00 H new ATOM 297 N CYS A 21 5.334 12.728 -2.964 1.00 0.00 N ATOM 298 CA CYS A 21 6.685 13.196 -3.277 1.00 0.00 C ATOM 299 C CYS A 21 6.672 14.706 -3.484 1.00 0.00 C ATOM 300 O CYS A 21 5.899 15.216 -4.293 1.00 0.00 O ATOM 301 CB CYS A 21 7.222 12.504 -4.540 1.00 0.00 C ATOM 302 SG CYS A 21 8.883 13.038 -5.049 1.00 0.00 S ATOM 0 H CYS A 21 4.741 12.583 -3.781 1.00 0.00 H new ATOM 0 HA CYS A 21 7.339 12.948 -2.441 1.00 0.00 H new ATOM 0 HB2 CYS A 21 7.237 11.428 -4.370 1.00 0.00 H new ATOM 0 HB3 CYS A 21 6.529 12.687 -5.361 1.00 0.00 H new ATOM 0 HG CYS A 21 9.428 12.116 -5.786 1.00 0.00 H new ATOM 307 N GLU A 22 7.519 15.420 -2.752 1.00 0.00 N ATOM 308 CA GLU A 22 7.582 16.875 -2.861 1.00 0.00 C ATOM 309 C GLU A 22 8.344 17.303 -4.109 1.00 0.00 C ATOM 310 O GLU A 22 8.076 18.356 -4.682 1.00 0.00 O ATOM 311 CB GLU A 22 8.223 17.473 -1.610 1.00 0.00 C ATOM 312 CG GLU A 22 7.290 17.480 -0.410 1.00 0.00 C ATOM 313 CD GLU A 22 6.118 18.421 -0.599 1.00 0.00 C ATOM 314 OE1 GLU A 22 5.303 18.195 -1.517 1.00 0.00 O ATOM 315 OE2 GLU A 22 6.012 19.404 0.163 1.00 0.00 O ATOM 0 H GLU A 22 8.171 15.018 -2.078 1.00 0.00 H new ATOM 0 HA GLU A 22 6.563 17.252 -2.948 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.121 16.906 -1.362 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.539 18.494 -1.823 1.00 0.00 H new ATOM 0 HG2 GLU A 22 6.918 16.470 -0.236 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.848 17.772 0.480 1.00 0.00 H new ATOM 322 N THR A 23 9.274 16.468 -4.546 1.00 0.00 N ATOM 323 CA THR A 23 10.049 16.754 -5.742 1.00 0.00 C ATOM 324 C THR A 23 9.325 16.286 -7.007 1.00 0.00 C ATOM 325 O THR A 23 9.933 16.149 -8.068 1.00 0.00 O ATOM 326 CB THR A 23 11.440 16.098 -5.658 1.00 0.00 C ATOM 327 OG1 THR A 23 11.338 14.792 -5.073 1.00 0.00 O ATOM 328 CG2 THR A 23 12.388 16.956 -4.838 1.00 0.00 C ATOM 0 H THR A 23 9.510 15.587 -4.090 1.00 0.00 H new ATOM 0 HA THR A 23 10.169 17.836 -5.801 1.00 0.00 H new ATOM 0 HB THR A 23 11.836 16.007 -6.669 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.470 14.399 -5.300 1.00 0.00 H new ATOM 0 HG21 THR A 23 13.365 16.475 -4.791 1.00 0.00 H new ATOM 0 HG22 THR A 23 12.488 17.936 -5.305 1.00 0.00 H new ATOM 0 HG23 THR A 23 11.992 17.073 -3.829 1.00 0.00 H new ATOM 336 N CYS A 24 8.022 16.061 -6.881 1.00 0.00 N ATOM 337 CA CYS A 24 7.195 15.607 -7.997 1.00 0.00 C ATOM 338 C CYS A 24 5.778 16.167 -7.919 1.00 0.00 C ATOM 339 O CYS A 24 5.181 16.488 -8.948 1.00 0.00 O ATOM 340 CB CYS A 24 7.120 14.081 -8.026 1.00 0.00 C ATOM 341 SG CYS A 24 8.518 13.269 -8.827 1.00 0.00 S ATOM 0 H CYS A 24 7.510 16.187 -6.008 1.00 0.00 H new ATOM 0 HA CYS A 24 7.667 15.974 -8.908 1.00 0.00 H new ATOM 0 HB2 CYS A 24 7.044 13.716 -7.002 1.00 0.00 H new ATOM 0 HB3 CYS A 24 6.204 13.786 -8.539 1.00 0.00 H new ATOM 0 HG CYS A 24 9.574 13.382 -8.077 1.00 0.00 H new ATOM 346 N ALA A 25 5.248 16.263 -6.695 1.00 0.00 N ATOM 347 CA ALA A 25 3.851 16.627 -6.450 1.00 0.00 C ATOM 348 C ALA A 25 2.929 15.483 -6.862 1.00 0.00 C ATOM 349 O ALA A 25 1.724 15.664 -7.039 1.00 0.00 O ATOM 350 CB ALA A 25 3.471 17.924 -7.159 1.00 0.00 C ATOM 0 H ALA A 25 5.780 16.089 -5.843 1.00 0.00 H new ATOM 0 HA ALA A 25 3.731 16.803 -5.381 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.427 18.159 -6.952 1.00 0.00 H new ATOM 0 HB2 ALA A 25 4.104 18.735 -6.798 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.610 17.806 -8.234 1.00 0.00 H new ATOM 356 N LYS A 26 3.511 14.296 -6.996 1.00 0.00 N ATOM 357 CA LYS A 26 2.751 13.102 -7.333 1.00 0.00 C ATOM 358 C LYS A 26 2.303 12.398 -6.065 1.00 0.00 C ATOM 359 O LYS A 26 3.024 12.387 -5.060 1.00 0.00 O ATOM 360 CB LYS A 26 3.590 12.135 -8.175 1.00 0.00 C ATOM 361 CG LYS A 26 4.016 12.695 -9.522 1.00 0.00 C ATOM 362 CD LYS A 26 4.814 11.676 -10.329 1.00 0.00 C ATOM 363 CE LYS A 26 5.973 11.096 -9.528 1.00 0.00 C ATOM 364 NZ LYS A 26 6.818 10.191 -10.350 1.00 0.00 N ATOM 0 H LYS A 26 4.511 14.137 -6.875 1.00 0.00 H new ATOM 0 HA LYS A 26 1.881 13.410 -7.914 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.480 11.857 -7.611 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.018 11.221 -8.338 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.134 12.996 -10.087 1.00 0.00 H new ATOM 0 HG3 LYS A 26 4.618 13.591 -9.370 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.154 10.869 -10.648 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.199 12.150 -11.232 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.586 11.908 -9.136 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.583 10.548 -8.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.595 9.818 -9.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.240 9.402 -10.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 7.211 10.719 -11.155 1.00 0.00 H new ATOM 378 N ASP A 27 1.115 11.822 -6.112 1.00 0.00 N ATOM 379 CA ASP A 27 0.565 11.100 -4.979 1.00 0.00 C ATOM 380 C ASP A 27 0.429 9.623 -5.324 1.00 0.00 C ATOM 381 O ASP A 27 -0.109 9.267 -6.375 1.00 0.00 O ATOM 382 CB ASP A 27 -0.794 11.678 -4.572 1.00 0.00 C ATOM 383 CG ASP A 27 -0.709 13.133 -4.149 1.00 0.00 C ATOM 384 OD1 ASP A 27 -0.194 13.413 -3.045 1.00 0.00 O ATOM 385 OD2 ASP A 27 -1.166 14.008 -4.917 1.00 0.00 O ATOM 0 H ASP A 27 0.508 11.841 -6.931 1.00 0.00 H new ATOM 0 HA ASP A 27 1.246 11.208 -4.135 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.488 11.587 -5.408 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.204 11.089 -3.752 1.00 0.00 H new ATOM 390 N PHE A 28 0.934 8.772 -4.450 1.00 0.00 N ATOM 391 CA PHE A 28 0.933 7.336 -4.686 1.00 0.00 C ATOM 392 C PHE A 28 -0.002 6.627 -3.717 1.00 0.00 C ATOM 393 O PHE A 28 -0.015 6.932 -2.524 1.00 0.00 O ATOM 394 CB PHE A 28 2.347 6.772 -4.538 1.00 0.00 C ATOM 395 CG PHE A 28 3.329 7.323 -5.531 1.00 0.00 C ATOM 396 CD1 PHE A 28 3.454 6.752 -6.789 1.00 0.00 C ATOM 397 CD2 PHE A 28 4.127 8.410 -5.212 1.00 0.00 C ATOM 398 CE1 PHE A 28 4.357 7.254 -7.705 1.00 0.00 C ATOM 399 CE2 PHE A 28 5.032 8.915 -6.125 1.00 0.00 C ATOM 400 CZ PHE A 28 5.145 8.337 -7.373 1.00 0.00 C ATOM 0 H PHE A 28 1.354 9.051 -3.563 1.00 0.00 H new ATOM 0 HA PHE A 28 0.580 7.163 -5.703 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.707 6.981 -3.531 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.308 5.688 -4.644 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.838 5.905 -7.055 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.040 8.868 -4.238 1.00 0.00 H new ATOM 0 HE1 PHE A 28 4.446 6.799 -8.681 1.00 0.00 H new ATOM 0 HE2 PHE A 28 5.650 9.761 -5.863 1.00 0.00 H new ATOM 0 HZ PHE A 28 5.850 8.732 -8.090 1.00 0.00 H new ATOM 410 N SER A 29 -0.777 5.686 -4.235 1.00 0.00 N ATOM 411 CA SER A 29 -1.682 4.898 -3.413 1.00 0.00 C ATOM 412 C SER A 29 -0.927 3.769 -2.719 1.00 0.00 C ATOM 413 O SER A 29 -0.090 3.102 -3.334 1.00 0.00 O ATOM 414 CB SER A 29 -2.809 4.344 -4.286 1.00 0.00 C ATOM 415 OG SER A 29 -2.310 3.911 -5.545 1.00 0.00 O ATOM 0 H SER A 29 -0.797 5.449 -5.227 1.00 0.00 H new ATOM 0 HA SER A 29 -2.114 5.534 -2.640 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.293 3.511 -3.776 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.569 5.111 -4.436 1.00 0.00 H new ATOM 0 HG SER A 29 -2.096 2.956 -5.501 1.00 0.00 H new ATOM 421 N LEU A 30 -1.217 3.565 -1.440 1.00 0.00 N ATOM 422 CA LEU A 30 -0.539 2.538 -0.663 1.00 0.00 C ATOM 423 C LEU A 30 -1.496 1.407 -0.304 1.00 0.00 C ATOM 424 O LEU A 30 -2.614 1.644 0.149 1.00 0.00 O ATOM 425 CB LEU A 30 0.052 3.139 0.616 1.00 0.00 C ATOM 426 CG LEU A 30 1.131 4.201 0.400 1.00 0.00 C ATOM 427 CD1 LEU A 30 1.589 4.771 1.731 1.00 0.00 C ATOM 428 CD2 LEU A 30 2.310 3.619 -0.366 1.00 0.00 C ATOM 0 H LEU A 30 -1.916 4.096 -0.921 1.00 0.00 H new ATOM 0 HA LEU A 30 0.267 2.132 -1.274 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.757 3.580 1.198 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.474 2.333 1.216 1.00 0.00 H new ATOM 0 HG LEU A 30 0.704 5.010 -0.193 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.357 5.525 1.559 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.741 5.226 2.243 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.998 3.971 2.348 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.067 4.390 -0.510 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.738 2.791 0.199 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.971 3.258 -1.337 1.00 0.00 H new ATOM 440 N GLN A 31 -1.044 0.184 -0.521 1.00 0.00 N ATOM 441 CA GLN A 31 -1.829 -0.993 -0.177 1.00 0.00 C ATOM 442 C GLN A 31 -1.168 -1.749 0.969 1.00 0.00 C ATOM 443 O GLN A 31 0.051 -1.912 0.993 1.00 0.00 O ATOM 444 CB GLN A 31 -1.979 -1.927 -1.387 1.00 0.00 C ATOM 445 CG GLN A 31 -3.057 -1.508 -2.381 1.00 0.00 C ATOM 446 CD GLN A 31 -2.734 -0.226 -3.125 1.00 0.00 C ATOM 447 OE1 GLN A 31 -1.572 0.095 -3.371 1.00 0.00 O ATOM 448 NE2 GLN A 31 -3.767 0.517 -3.489 1.00 0.00 N ATOM 0 H GLN A 31 -0.135 -0.022 -0.935 1.00 0.00 H new ATOM 0 HA GLN A 31 -2.820 -0.658 0.131 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -1.023 -1.981 -1.908 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -2.204 -2.932 -1.029 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -3.204 -2.310 -3.104 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -4.000 -1.382 -1.849 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -4.716 0.216 -3.266 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -3.614 1.391 -3.993 1.00 0.00 H new ATOM 457 N ALA A 32 -1.980 -2.183 1.920 1.00 0.00 N ATOM 458 CA ALA A 32 -1.496 -3.016 3.009 1.00 0.00 C ATOM 459 C ALA A 32 -1.492 -4.473 2.563 1.00 0.00 C ATOM 460 O ALA A 32 -2.540 -5.040 2.276 1.00 0.00 O ATOM 461 CB ALA A 32 -2.358 -2.823 4.255 1.00 0.00 C ATOM 0 H ALA A 32 -2.977 -1.972 1.960 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.478 -2.724 3.266 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.981 -3.454 5.060 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.321 -1.779 4.565 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.389 -3.098 4.031 1.00 0.00 H new ATOM 467 N LEU A 33 -0.305 -5.053 2.467 1.00 0.00 N ATOM 468 CA LEU A 33 -0.159 -6.416 1.971 1.00 0.00 C ATOM 469 C LEU A 33 0.288 -7.370 3.073 1.00 0.00 C ATOM 470 O LEU A 33 1.040 -6.989 3.975 1.00 0.00 O ATOM 471 CB LEU A 33 0.861 -6.444 0.829 1.00 0.00 C ATOM 472 CG LEU A 33 0.284 -6.583 -0.585 1.00 0.00 C ATOM 473 CD1 LEU A 33 -0.795 -5.548 -0.850 1.00 0.00 C ATOM 474 CD2 LEU A 33 1.394 -6.462 -1.617 1.00 0.00 C ATOM 0 H LEU A 33 0.572 -4.602 2.726 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.133 -6.746 1.611 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.449 -5.527 0.871 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.548 -7.272 1.002 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.174 -7.569 -0.665 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.181 -5.676 -1.861 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.606 -5.676 -0.133 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.373 -4.548 -0.747 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.973 -6.562 -2.617 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.875 -5.489 -1.522 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.131 -7.248 -1.453 1.00 0.00 H new ATOM 486 N CYS A 34 -0.170 -8.614 2.977 1.00 0.00 N ATOM 487 CA CYS A 34 0.262 -9.674 3.879 1.00 0.00 C ATOM 488 C CYS A 34 1.380 -10.483 3.233 1.00 0.00 C ATOM 489 O CYS A 34 1.444 -10.599 2.008 1.00 0.00 O ATOM 490 CB CYS A 34 -0.900 -10.616 4.219 1.00 0.00 C ATOM 491 SG CYS A 34 -2.119 -9.958 5.376 1.00 0.00 S ATOM 0 H CYS A 34 -0.847 -8.914 2.276 1.00 0.00 H new ATOM 0 HA CYS A 34 0.620 -9.207 4.797 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -1.410 -10.884 3.294 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.489 -11.536 4.635 1.00 0.00 H new ATOM 0 HG CYS A 34 -3.047 -10.845 5.579 1.00 0.00 H new ATOM 496 N PRO A 35 2.278 -11.060 4.047 1.00 0.00 N ATOM 497 CA PRO A 35 3.366 -11.907 3.549 1.00 0.00 C ATOM 498 C PRO A 35 2.846 -13.195 2.914 1.00 0.00 C ATOM 499 O PRO A 35 3.486 -13.772 2.036 1.00 0.00 O ATOM 500 CB PRO A 35 4.189 -12.227 4.805 1.00 0.00 C ATOM 501 CG PRO A 35 3.749 -11.238 5.832 1.00 0.00 C ATOM 502 CD PRO A 35 2.321 -10.916 5.510 1.00 0.00 C ATOM 0 HA PRO A 35 3.941 -11.408 2.769 1.00 0.00 H new ATOM 0 HB2 PRO A 35 4.010 -13.248 5.142 1.00 0.00 H new ATOM 0 HB3 PRO A 35 5.257 -12.139 4.607 1.00 0.00 H new ATOM 0 HG2 PRO A 35 3.839 -11.652 6.836 1.00 0.00 H new ATOM 0 HG3 PRO A 35 4.368 -10.341 5.801 1.00 0.00 H new ATOM 0 HD2 PRO A 35 1.631 -11.599 6.004 1.00 0.00 H new ATOM 0 HD3 PRO A 35 2.052 -9.908 5.826 1.00 0.00 H new ATOM 510 N ASP A 36 1.674 -13.636 3.362 1.00 0.00 N ATOM 511 CA ASP A 36 1.082 -14.874 2.867 1.00 0.00 C ATOM 512 C ASP A 36 0.244 -14.609 1.622 1.00 0.00 C ATOM 513 O ASP A 36 0.104 -15.469 0.755 1.00 0.00 O ATOM 514 CB ASP A 36 0.207 -15.520 3.948 1.00 0.00 C ATOM 515 CG ASP A 36 -1.179 -14.912 4.023 1.00 0.00 C ATOM 516 OD1 ASP A 36 -1.325 -13.738 4.400 1.00 0.00 O ATOM 517 OD2 ASP A 36 -2.160 -15.585 3.690 1.00 0.00 O ATOM 0 H ASP A 36 1.116 -13.154 4.067 1.00 0.00 H new ATOM 0 HA ASP A 36 1.892 -15.556 2.609 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.120 -16.588 3.748 1.00 0.00 H new ATOM 0 HB3 ASP A 36 0.697 -15.416 4.916 1.00 0.00 H new ATOM 522 N CYS A 37 -0.314 -13.411 1.547 1.00 0.00 N ATOM 523 CA CYS A 37 -1.169 -13.027 0.439 1.00 0.00 C ATOM 524 C CYS A 37 -0.963 -11.559 0.103 1.00 0.00 C ATOM 525 O CYS A 37 -1.465 -10.677 0.794 1.00 0.00 O ATOM 526 CB CYS A 37 -2.644 -13.312 0.771 1.00 0.00 C ATOM 527 SG CYS A 37 -3.193 -12.724 2.403 1.00 0.00 S ATOM 0 H CYS A 37 -0.187 -12.682 2.249 1.00 0.00 H new ATOM 0 HA CYS A 37 -0.899 -13.621 -0.434 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.269 -12.850 0.006 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.812 -14.387 0.714 1.00 0.00 H new ATOM 0 HG CYS A 37 -2.213 -12.822 3.252 1.00 0.00 H new ATOM 532 N ARG A 38 -0.208 -11.297 -0.952 1.00 0.00 N ATOM 533 CA ARG A 38 0.063 -9.931 -1.365 1.00 0.00 C ATOM 534 C ARG A 38 -1.004 -9.445 -2.341 1.00 0.00 C ATOM 535 O ARG A 38 -0.709 -8.893 -3.403 1.00 0.00 O ATOM 536 CB ARG A 38 1.471 -9.807 -1.954 1.00 0.00 C ATOM 537 CG ARG A 38 1.813 -10.857 -2.989 1.00 0.00 C ATOM 538 CD ARG A 38 3.289 -10.816 -3.339 1.00 0.00 C ATOM 539 NE ARG A 38 3.823 -12.151 -3.600 1.00 0.00 N ATOM 540 CZ ARG A 38 4.803 -12.708 -2.885 1.00 0.00 C ATOM 541 NH1 ARG A 38 5.380 -12.025 -1.899 1.00 0.00 N ATOM 542 NH2 ARG A 38 5.212 -13.941 -3.158 1.00 0.00 N ATOM 0 H ARG A 38 0.227 -12.011 -1.536 1.00 0.00 H new ATOM 0 HA ARG A 38 0.023 -9.288 -0.486 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.576 -8.821 -2.407 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.197 -9.865 -1.143 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.553 -11.845 -2.609 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.218 -10.694 -3.888 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.437 -10.188 -4.217 1.00 0.00 H new ATOM 0 HD3 ARG A 38 3.844 -10.356 -2.521 1.00 0.00 H new ATOM 0 HE ARG A 38 3.425 -12.687 -4.371 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.073 -11.075 -1.689 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.129 -12.452 -1.353 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.777 -14.466 -3.916 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.961 -14.363 -2.609 1.00 0.00 H new ATOM 556 N GLN A 39 -2.251 -9.669 -1.956 1.00 0.00 N ATOM 557 CA GLN A 39 -3.401 -9.151 -2.673 1.00 0.00 C ATOM 558 C GLN A 39 -3.955 -7.963 -1.885 1.00 0.00 C ATOM 559 O GLN A 39 -3.438 -7.659 -0.814 1.00 0.00 O ATOM 560 CB GLN A 39 -4.477 -10.239 -2.835 1.00 0.00 C ATOM 561 CG GLN A 39 -4.076 -11.395 -3.743 1.00 0.00 C ATOM 562 CD GLN A 39 -3.444 -12.553 -2.997 1.00 0.00 C ATOM 563 OE1 GLN A 39 -2.228 -12.611 -2.823 1.00 0.00 O ATOM 564 NE2 GLN A 39 -4.267 -13.494 -2.559 1.00 0.00 N ATOM 0 H GLN A 39 -2.493 -10.219 -1.132 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.104 -8.833 -3.672 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.725 -10.636 -1.851 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.383 -9.780 -3.231 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.958 -11.753 -4.275 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.376 -11.031 -4.495 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.270 -13.411 -2.723 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -3.897 -14.302 -2.058 1.00 0.00 H new ATOM 573 N PRO A 40 -4.999 -7.268 -2.386 1.00 0.00 N ATOM 574 CA PRO A 40 -5.645 -6.164 -1.647 1.00 0.00 C ATOM 575 C PRO A 40 -6.333 -6.617 -0.350 1.00 0.00 C ATOM 576 O PRO A 40 -7.067 -5.845 0.267 1.00 0.00 O ATOM 577 CB PRO A 40 -6.689 -5.626 -2.636 1.00 0.00 C ATOM 578 CG PRO A 40 -6.250 -6.118 -3.971 1.00 0.00 C ATOM 579 CD PRO A 40 -5.598 -7.444 -3.719 1.00 0.00 C ATOM 0 HA PRO A 40 -4.909 -5.427 -1.327 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -7.687 -5.989 -2.391 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -6.731 -4.537 -2.612 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -7.097 -6.221 -4.649 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -5.553 -5.421 -4.436 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.322 -8.259 -3.732 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.845 -7.674 -4.473 1.00 0.00 H new ATOM 587 N LEU A 41 -6.091 -7.867 0.043 1.00 0.00 N ATOM 588 CA LEU A 41 -6.621 -8.438 1.281 1.00 0.00 C ATOM 589 C LEU A 41 -8.145 -8.289 1.354 1.00 0.00 C ATOM 590 O LEU A 41 -8.878 -9.033 0.698 1.00 0.00 O ATOM 591 CB LEU A 41 -5.932 -7.800 2.502 1.00 0.00 C ATOM 592 CG LEU A 41 -4.407 -7.935 2.543 1.00 0.00 C ATOM 593 CD1 LEU A 41 -3.866 -7.410 3.862 1.00 0.00 C ATOM 594 CD2 LEU A 41 -3.978 -9.377 2.324 1.00 0.00 C ATOM 0 H LEU A 41 -5.517 -8.517 -0.493 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.403 -9.506 1.288 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.186 -6.740 2.529 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.344 -8.249 3.406 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.991 -7.337 1.732 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.781 -7.512 3.877 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.133 -6.359 3.972 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.296 -7.982 4.685 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.890 -9.442 2.358 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.404 -10.006 3.106 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.331 -9.718 1.351 1.00 0.00 H new ATOM 606 N GLN A 42 -8.616 -7.333 2.142 1.00 0.00 N ATOM 607 CA GLN A 42 -10.019 -6.986 2.180 1.00 0.00 C ATOM 608 C GLN A 42 -10.128 -5.499 2.467 1.00 0.00 C ATOM 609 O GLN A 42 -9.840 -5.048 3.575 1.00 0.00 O ATOM 610 CB GLN A 42 -10.754 -7.810 3.240 1.00 0.00 C ATOM 611 CG GLN A 42 -12.261 -7.637 3.204 1.00 0.00 C ATOM 612 CD GLN A 42 -12.974 -8.491 4.232 1.00 0.00 C ATOM 613 OE1 GLN A 42 -12.512 -9.577 4.595 1.00 0.00 O ATOM 614 NE2 GLN A 42 -14.108 -8.006 4.709 1.00 0.00 N ATOM 0 H GLN A 42 -8.033 -6.780 2.770 1.00 0.00 H new ATOM 0 HA GLN A 42 -10.488 -7.211 1.222 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -10.514 -8.864 3.100 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.387 -7.528 4.227 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -12.506 -6.589 3.376 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -12.628 -7.891 2.210 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -14.455 -7.104 4.382 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -14.636 -8.534 5.404 1.00 0.00 H new ATOM 623 N VAL A 43 -10.495 -4.736 1.453 1.00 0.00 N ATOM 624 CA VAL A 43 -10.501 -3.287 1.560 1.00 0.00 C ATOM 625 C VAL A 43 -11.638 -2.790 2.450 1.00 0.00 C ATOM 626 O VAL A 43 -12.817 -3.077 2.219 1.00 0.00 O ATOM 627 CB VAL A 43 -10.562 -2.617 0.168 1.00 0.00 C ATOM 628 CG1 VAL A 43 -11.730 -3.148 -0.645 1.00 0.00 C ATOM 629 CG2 VAL A 43 -10.637 -1.101 0.295 1.00 0.00 C ATOM 0 H VAL A 43 -10.793 -5.095 0.546 1.00 0.00 H new ATOM 0 HA VAL A 43 -9.561 -3.000 2.031 1.00 0.00 H new ATOM 0 HB VAL A 43 -9.643 -2.868 -0.361 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -11.748 -2.659 -1.619 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -11.619 -4.224 -0.781 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -12.662 -2.943 -0.119 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -10.679 -0.654 -0.698 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -11.531 -0.827 0.854 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -9.754 -0.736 0.820 1.00 0.00 H new ATOM 639 N LEU A 44 -11.252 -2.071 3.489 1.00 0.00 N ATOM 640 CA LEU A 44 -12.183 -1.451 4.411 1.00 0.00 C ATOM 641 C LEU A 44 -12.052 0.062 4.293 1.00 0.00 C ATOM 642 O LEU A 44 -10.958 0.565 4.040 1.00 0.00 O ATOM 643 CB LEU A 44 -11.854 -1.880 5.847 1.00 0.00 C ATOM 644 CG LEU A 44 -11.669 -3.385 6.062 1.00 0.00 C ATOM 645 CD1 LEU A 44 -11.139 -3.658 7.459 1.00 0.00 C ATOM 646 CD2 LEU A 44 -12.981 -4.115 5.846 1.00 0.00 C ATOM 0 H LEU A 44 -10.273 -1.900 3.718 1.00 0.00 H new ATOM 0 HA LEU A 44 -13.200 -1.760 4.171 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.942 -1.372 6.159 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -12.652 -1.533 6.503 1.00 0.00 H new ATOM 0 HG LEU A 44 -10.943 -3.752 5.336 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -11.013 -4.732 7.597 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -10.178 -3.160 7.587 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.846 -3.278 8.197 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -12.833 -5.183 6.002 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -13.724 -3.744 6.552 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -13.330 -3.942 4.828 1.00 0.00 H new ATOM 658 N LYS A 45 -13.147 0.789 4.443 1.00 0.00 N ATOM 659 CA LYS A 45 -13.072 2.243 4.453 1.00 0.00 C ATOM 660 C LYS A 45 -13.904 2.821 5.591 1.00 0.00 C ATOM 661 O LYS A 45 -15.047 2.417 5.815 1.00 0.00 O ATOM 662 CB LYS A 45 -13.495 2.837 3.101 1.00 0.00 C ATOM 663 CG LYS A 45 -14.936 2.560 2.708 1.00 0.00 C ATOM 664 CD LYS A 45 -15.279 3.204 1.374 1.00 0.00 C ATOM 665 CE LYS A 45 -14.509 2.568 0.225 1.00 0.00 C ATOM 666 NZ LYS A 45 -15.028 1.216 -0.112 1.00 0.00 N ATOM 0 H LYS A 45 -14.085 0.405 4.558 1.00 0.00 H new ATOM 0 HA LYS A 45 -12.031 2.520 4.620 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.342 3.916 3.130 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -12.839 2.442 2.325 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -15.098 1.484 2.647 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.605 2.940 3.480 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -16.349 3.111 1.190 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -15.054 4.270 1.416 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.573 3.210 -0.653 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -13.455 2.496 0.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -14.522 0.847 -0.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -14.882 0.577 0.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.044 1.277 -0.326 1.00 0.00 H new ATOM 680 N ALA A 46 -13.312 3.758 6.314 1.00 0.00 N ATOM 681 CA ALA A 46 -13.972 4.409 7.431 1.00 0.00 C ATOM 682 C ALA A 46 -13.863 5.916 7.286 1.00 0.00 C ATOM 683 O ALA A 46 -12.761 6.467 7.310 1.00 0.00 O ATOM 684 CB ALA A 46 -13.369 3.953 8.751 1.00 0.00 C ATOM 0 H ALA A 46 -12.362 4.087 6.142 1.00 0.00 H new ATOM 0 HA ALA A 46 -15.026 4.130 7.428 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -13.878 4.453 9.575 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -13.488 2.874 8.852 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.309 4.205 8.773 1.00 0.00 H new ATOM 690 N CYS A 47 -15.010 6.566 7.117 1.00 0.00 N ATOM 691 CA CYS A 47 -15.081 8.007 6.898 1.00 0.00 C ATOM 692 C CYS A 47 -14.372 8.393 5.596 1.00 0.00 C ATOM 693 O CYS A 47 -14.994 8.428 4.533 1.00 0.00 O ATOM 694 CB CYS A 47 -14.497 8.774 8.092 1.00 0.00 C ATOM 695 SG CYS A 47 -15.257 8.350 9.679 1.00 0.00 S ATOM 0 H CYS A 47 -15.920 6.106 7.128 1.00 0.00 H new ATOM 0 HA CYS A 47 -16.131 8.284 6.806 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -13.426 8.577 8.149 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -14.616 9.843 7.918 1.00 0.00 H new ATOM 0 HG CYS A 47 -14.699 9.044 10.626 1.00 0.00 H new ATOM 701 N GLY A 48 -13.070 8.644 5.672 1.00 0.00 N ATOM 702 CA GLY A 48 -12.312 8.998 4.490 1.00 0.00 C ATOM 703 C GLY A 48 -11.023 8.207 4.383 1.00 0.00 C ATOM 704 O GLY A 48 -10.223 8.427 3.472 1.00 0.00 O ATOM 0 H GLY A 48 -12.526 8.608 6.534 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -12.920 8.821 3.603 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -12.083 10.063 4.512 1.00 0.00 H new ATOM 708 N ALA A 49 -10.829 7.278 5.309 1.00 0.00 N ATOM 709 CA ALA A 49 -9.619 6.468 5.342 1.00 0.00 C ATOM 710 C ALA A 49 -9.891 5.070 4.801 1.00 0.00 C ATOM 711 O ALA A 49 -10.982 4.525 4.983 1.00 0.00 O ATOM 712 CB ALA A 49 -9.074 6.387 6.763 1.00 0.00 C ATOM 0 H ALA A 49 -11.497 7.066 6.050 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.872 6.943 4.706 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.170 5.778 6.772 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.840 7.390 7.121 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -9.822 5.935 7.414 1.00 0.00 H new ATOM 718 N VAL A 50 -8.897 4.502 4.139 1.00 0.00 N ATOM 719 CA VAL A 50 -9.006 3.162 3.580 1.00 0.00 C ATOM 720 C VAL A 50 -7.928 2.255 4.162 1.00 0.00 C ATOM 721 O VAL A 50 -6.803 2.686 4.411 1.00 0.00 O ATOM 722 CB VAL A 50 -8.906 3.164 2.036 1.00 0.00 C ATOM 723 CG1 VAL A 50 -10.104 3.873 1.425 1.00 0.00 C ATOM 724 CG2 VAL A 50 -7.609 3.811 1.566 1.00 0.00 C ATOM 0 H VAL A 50 -7.997 4.952 3.974 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.991 2.782 3.850 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.904 2.127 1.701 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.017 3.865 0.339 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -11.020 3.360 1.719 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -10.136 4.904 1.778 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.569 3.797 0.477 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.569 4.842 1.917 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.760 3.258 1.967 1.00 0.00 H new ATOM 734 N ASP A 51 -8.280 1.001 4.387 1.00 0.00 N ATOM 735 CA ASP A 51 -7.369 0.053 5.011 1.00 0.00 C ATOM 736 C ASP A 51 -7.562 -1.332 4.417 1.00 0.00 C ATOM 737 O ASP A 51 -8.687 -1.803 4.273 1.00 0.00 O ATOM 738 CB ASP A 51 -7.626 0.023 6.518 1.00 0.00 C ATOM 739 CG ASP A 51 -6.631 -0.819 7.289 1.00 0.00 C ATOM 740 OD1 ASP A 51 -5.430 -0.788 6.952 1.00 0.00 O ATOM 741 OD2 ASP A 51 -7.046 -1.470 8.274 1.00 0.00 O ATOM 0 H ASP A 51 -9.192 0.613 4.147 1.00 0.00 H new ATOM 0 HA ASP A 51 -6.341 0.365 4.826 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -7.600 1.043 6.902 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.630 -0.361 6.699 1.00 0.00 H new ATOM 746 N TYR A 52 -6.468 -1.973 4.051 1.00 0.00 N ATOM 747 CA TYR A 52 -6.527 -3.315 3.499 1.00 0.00 C ATOM 748 C TYR A 52 -6.247 -4.319 4.611 1.00 0.00 C ATOM 749 O TYR A 52 -5.108 -4.501 5.032 1.00 0.00 O ATOM 750 CB TYR A 52 -5.539 -3.468 2.342 1.00 0.00 C ATOM 751 CG TYR A 52 -5.804 -2.522 1.188 1.00 0.00 C ATOM 752 CD1 TYR A 52 -5.257 -1.244 1.166 1.00 0.00 C ATOM 753 CD2 TYR A 52 -6.608 -2.906 0.124 1.00 0.00 C ATOM 754 CE1 TYR A 52 -5.502 -0.381 0.113 1.00 0.00 C ATOM 755 CE2 TYR A 52 -6.856 -2.051 -0.931 1.00 0.00 C ATOM 756 CZ TYR A 52 -6.305 -0.789 -0.931 1.00 0.00 C ATOM 757 OH TYR A 52 -6.551 0.063 -1.984 1.00 0.00 O ATOM 0 H TYR A 52 -5.527 -1.587 4.126 1.00 0.00 H new ATOM 0 HA TYR A 52 -7.522 -3.504 3.096 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -4.528 -3.300 2.714 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -5.577 -4.494 1.976 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.631 -0.920 1.984 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -7.048 -3.892 0.121 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -5.067 0.607 0.109 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -7.480 -2.370 -1.753 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.134 -0.381 -2.634 1.00 0.00 H new ATOM 767 N PHE A 53 -7.306 -4.943 5.093 1.00 0.00 N ATOM 768 CA PHE A 53 -7.252 -5.725 6.316 1.00 0.00 C ATOM 769 C PHE A 53 -8.097 -6.981 6.167 1.00 0.00 C ATOM 770 O PHE A 53 -9.305 -6.902 5.946 1.00 0.00 O ATOM 771 CB PHE A 53 -7.779 -4.850 7.452 1.00 0.00 C ATOM 772 CG PHE A 53 -7.283 -5.218 8.813 1.00 0.00 C ATOM 773 CD1 PHE A 53 -5.995 -4.888 9.210 1.00 0.00 C ATOM 774 CD2 PHE A 53 -8.111 -5.872 9.703 1.00 0.00 C ATOM 775 CE1 PHE A 53 -5.548 -5.207 10.474 1.00 0.00 C ATOM 776 CE2 PHE A 53 -7.671 -6.191 10.966 1.00 0.00 C ATOM 777 CZ PHE A 53 -6.385 -5.859 11.355 1.00 0.00 C ATOM 0 H PHE A 53 -8.225 -4.923 4.650 1.00 0.00 H new ATOM 0 HA PHE A 53 -6.230 -6.036 6.530 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -7.506 -3.814 7.250 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -8.868 -4.898 7.453 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -5.337 -4.377 8.523 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -9.115 -6.136 9.404 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -4.544 -4.947 10.774 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -8.329 -6.701 11.654 1.00 0.00 H new ATOM 0 HZ PHE A 53 -6.038 -6.110 12.346 1.00 0.00 H new ATOM 787 N CYS A 54 -7.460 -8.137 6.284 1.00 0.00 N ATOM 788 CA CYS A 54 -8.155 -9.406 6.144 1.00 0.00 C ATOM 789 C CYS A 54 -9.136 -9.600 7.294 1.00 0.00 C ATOM 790 O CYS A 54 -8.788 -9.416 8.462 1.00 0.00 O ATOM 791 CB CYS A 54 -7.162 -10.575 6.113 1.00 0.00 C ATOM 792 SG CYS A 54 -6.085 -10.639 4.657 1.00 0.00 S ATOM 0 H CYS A 54 -6.462 -8.221 6.476 1.00 0.00 H new ATOM 0 HA CYS A 54 -8.702 -9.388 5.201 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -6.537 -10.523 7.005 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -7.723 -11.508 6.171 1.00 0.00 H new ATOM 0 HG CYS A 54 -5.293 -11.666 4.748 1.00 0.00 H new ATOM 797 N GLN A 55 -10.367 -9.939 6.959 1.00 0.00 N ATOM 798 CA GLN A 55 -11.367 -10.249 7.966 1.00 0.00 C ATOM 799 C GLN A 55 -11.757 -11.715 7.861 1.00 0.00 C ATOM 800 O GLN A 55 -11.289 -12.547 8.639 1.00 0.00 O ATOM 801 CB GLN A 55 -12.599 -9.359 7.798 1.00 0.00 C ATOM 802 CG GLN A 55 -12.328 -7.879 8.016 1.00 0.00 C ATOM 803 CD GLN A 55 -12.046 -7.541 9.466 1.00 0.00 C ATOM 804 OE1 GLN A 55 -12.959 -7.226 10.229 1.00 0.00 O ATOM 805 NE2 GLN A 55 -10.785 -7.606 9.860 1.00 0.00 N ATOM 0 H GLN A 55 -10.699 -10.007 5.997 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.944 -10.058 8.952 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -13.002 -9.500 6.795 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -13.368 -9.684 8.499 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -11.478 -7.576 7.405 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -13.188 -7.303 7.674 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -10.057 -7.871 9.197 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -10.541 -7.391 10.827 1.00 0.00 H new ATOM 814 N ASN A 56 -12.582 -12.033 6.872 1.00 0.00 N ATOM 815 CA ASN A 56 -13.011 -13.408 6.644 1.00 0.00 C ATOM 816 C ASN A 56 -12.095 -14.090 5.637 1.00 0.00 C ATOM 817 O ASN A 56 -12.046 -13.704 4.465 1.00 0.00 O ATOM 818 CB ASN A 56 -14.455 -13.443 6.139 1.00 0.00 C ATOM 819 CG ASN A 56 -14.964 -14.859 5.928 1.00 0.00 C ATOM 820 OD1 ASN A 56 -14.572 -15.789 6.634 1.00 0.00 O ATOM 821 ND2 ASN A 56 -15.843 -15.029 4.953 1.00 0.00 N ATOM 0 H ASN A 56 -12.968 -11.357 6.213 1.00 0.00 H new ATOM 0 HA ASN A 56 -12.957 -13.944 7.592 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -15.099 -12.932 6.854 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -14.522 -12.893 5.200 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -16.222 -15.957 4.764 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -16.142 -14.232 4.391 1.00 0.00 H new ATOM 828 N GLY A 57 -11.359 -15.087 6.101 1.00 0.00 N ATOM 829 CA GLY A 57 -10.461 -15.820 5.231 1.00 0.00 C ATOM 830 C GLY A 57 -9.087 -15.977 5.846 1.00 0.00 C ATOM 831 O GLY A 57 -8.495 -17.055 5.803 1.00 0.00 O ATOM 0 H GLY A 57 -11.367 -15.404 7.070 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -10.880 -16.804 5.022 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -10.375 -15.301 4.277 1.00 0.00 H new ATOM 835 N HIS A 58 -8.586 -14.900 6.429 1.00 0.00 N ATOM 836 CA HIS A 58 -7.286 -14.916 7.091 1.00 0.00 C ATOM 837 C HIS A 58 -7.444 -14.487 8.545 1.00 0.00 C ATOM 838 O HIS A 58 -7.256 -15.279 9.468 1.00 0.00 O ATOM 839 CB HIS A 58 -6.304 -13.980 6.359 1.00 0.00 C ATOM 840 CG HIS A 58 -4.903 -13.951 6.920 1.00 0.00 C ATOM 841 ND1 HIS A 58 -3.805 -13.500 6.198 1.00 0.00 N ATOM 842 CD2 HIS A 58 -4.422 -14.291 8.141 1.00 0.00 C ATOM 843 CE1 HIS A 58 -2.725 -13.570 6.965 1.00 0.00 C ATOM 844 NE2 HIS A 58 -3.076 -14.046 8.140 1.00 0.00 N ATOM 0 H HIS A 58 -9.061 -13.998 6.459 1.00 0.00 H new ATOM 0 HA HIS A 58 -6.883 -15.929 7.062 1.00 0.00 H new ATOM 0 HB2 HIS A 58 -6.253 -14.280 5.312 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -6.708 -12.968 6.381 1.00 0.00 H new ATOM 0 HD1 HIS A 58 -3.826 -13.168 5.234 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -4.998 -14.684 8.966 1.00 0.00 H new ATOM 0 HE1 HIS A 58 -1.725 -13.284 6.674 1.00 0.00 H new ATOM 852 N GLY A 59 -7.795 -13.232 8.736 1.00 0.00 N ATOM 853 CA GLY A 59 -7.880 -12.680 10.066 1.00 0.00 C ATOM 854 C GLY A 59 -7.083 -11.402 10.167 1.00 0.00 C ATOM 855 O GLY A 59 -6.422 -11.009 9.204 1.00 0.00 O ATOM 0 H GLY A 59 -8.025 -12.579 7.987 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.922 -12.485 10.318 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.507 -13.405 10.790 1.00 0.00 H new ATOM 859 N LEU A 60 -7.126 -10.764 11.320 1.00 0.00 N ATOM 860 CA LEU A 60 -6.472 -9.480 11.502 1.00 0.00 C ATOM 861 C LEU A 60 -4.955 -9.639 11.562 1.00 0.00 C ATOM 862 O LEU A 60 -4.430 -10.585 12.158 1.00 0.00 O ATOM 863 CB LEU A 60 -7.013 -8.793 12.770 1.00 0.00 C ATOM 864 CG LEU A 60 -6.881 -9.578 14.084 1.00 0.00 C ATOM 865 CD1 LEU A 60 -5.547 -9.297 14.764 1.00 0.00 C ATOM 866 CD2 LEU A 60 -8.037 -9.247 15.019 1.00 0.00 C ATOM 0 H LEU A 60 -7.608 -11.114 12.148 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.696 -8.848 10.643 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.497 -7.840 12.888 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.068 -8.567 12.612 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.917 -10.641 13.845 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.484 -9.867 15.691 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.732 -9.590 14.102 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.469 -8.233 14.987 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.929 -9.811 15.945 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.031 -8.180 15.241 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.980 -9.513 14.540 1.00 0.00 H new ATOM 878 N ILE A 61 -4.261 -8.719 10.915 1.00 0.00 N ATOM 879 CA ILE A 61 -2.811 -8.694 10.922 1.00 0.00 C ATOM 880 C ILE A 61 -2.331 -7.426 11.606 1.00 0.00 C ATOM 881 O ILE A 61 -2.849 -6.344 11.338 1.00 0.00 O ATOM 882 CB ILE A 61 -2.237 -8.772 9.483 1.00 0.00 C ATOM 883 CG1 ILE A 61 -2.530 -10.147 8.873 1.00 0.00 C ATOM 884 CG2 ILE A 61 -0.736 -8.486 9.461 1.00 0.00 C ATOM 885 CD1 ILE A 61 -1.916 -11.297 9.645 1.00 0.00 C ATOM 0 H ILE A 61 -4.688 -7.969 10.371 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.454 -9.566 11.470 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.727 -8.004 8.884 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.609 -10.290 8.822 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -2.157 -10.168 7.849 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.368 -8.549 8.437 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.550 -7.486 9.852 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.217 -9.219 10.079 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.165 -12.238 9.155 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.833 -11.179 9.674 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.308 -11.303 10.662 1.00 0.00 H new ATOM 897 N SER A 62 -1.383 -7.569 12.524 1.00 0.00 N ATOM 898 CA SER A 62 -0.785 -6.419 13.181 1.00 0.00 C ATOM 899 C SER A 62 -0.237 -5.473 12.112 1.00 0.00 C ATOM 900 O SER A 62 0.699 -5.814 11.392 1.00 0.00 O ATOM 901 CB SER A 62 0.326 -6.870 14.134 1.00 0.00 C ATOM 902 OG SER A 62 0.668 -5.847 15.054 1.00 0.00 O ATOM 0 H SER A 62 -1.014 -8.470 12.828 1.00 0.00 H new ATOM 0 HA SER A 62 -1.537 -5.897 13.773 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.002 -7.757 14.678 1.00 0.00 H new ATOM 0 HB3 SER A 62 1.208 -7.153 13.559 1.00 0.00 H new ATOM 0 HG SER A 62 1.378 -6.166 15.649 1.00 0.00 H new ATOM 908 N LYS A 63 -0.839 -4.291 12.006 1.00 0.00 N ATOM 909 CA LYS A 63 -0.566 -3.392 10.890 1.00 0.00 C ATOM 910 C LYS A 63 0.786 -2.685 11.004 1.00 0.00 C ATOM 911 O LYS A 63 1.094 -1.791 10.220 1.00 0.00 O ATOM 912 CB LYS A 63 -1.702 -2.375 10.733 1.00 0.00 C ATOM 913 CG LYS A 63 -2.063 -1.623 12.002 1.00 0.00 C ATOM 914 CD LYS A 63 -3.322 -0.802 11.795 1.00 0.00 C ATOM 915 CE LYS A 63 -3.755 -0.094 13.066 1.00 0.00 C ATOM 916 NZ LYS A 63 -4.999 0.691 12.856 1.00 0.00 N ATOM 0 H LYS A 63 -1.518 -3.935 12.679 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.512 -4.011 9.994 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.421 -1.653 9.967 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -2.589 -2.895 10.371 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.212 -2.328 12.819 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.240 -0.970 12.291 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.149 -0.065 11.011 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.126 -1.452 11.450 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.916 -0.828 13.856 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.958 0.569 13.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.267 1.162 13.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.837 1.407 12.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.765 0.054 12.557 1.00 0.00 H new ATOM 930 N LYS A 64 1.591 -3.090 11.973 1.00 0.00 N ATOM 931 CA LYS A 64 2.985 -2.669 12.015 1.00 0.00 C ATOM 932 C LYS A 64 3.871 -3.766 11.442 1.00 0.00 C ATOM 933 O LYS A 64 5.099 -3.669 11.466 1.00 0.00 O ATOM 934 CB LYS A 64 3.428 -2.322 13.436 1.00 0.00 C ATOM 935 CG LYS A 64 2.934 -0.969 13.915 1.00 0.00 C ATOM 936 CD LYS A 64 3.660 -0.533 15.176 1.00 0.00 C ATOM 937 CE LYS A 64 3.343 0.908 15.532 1.00 0.00 C ATOM 938 NZ LYS A 64 4.262 1.435 16.575 1.00 0.00 N ATOM 0 H LYS A 64 1.308 -3.705 12.736 1.00 0.00 H new ATOM 0 HA LYS A 64 3.083 -1.767 11.411 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.068 -3.093 14.118 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.517 -2.339 13.482 1.00 0.00 H new ATOM 0 HG2 LYS A 64 3.083 -0.226 13.131 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.862 -1.018 14.108 1.00 0.00 H new ATOM 0 HD2 LYS A 64 3.377 -1.184 16.003 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.735 -0.646 15.035 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.415 1.527 14.638 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.314 0.977 15.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.013 2.421 16.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.175 0.860 17.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 5.241 1.393 16.228 1.00 0.00 H new ATOM 952 N ARG A 65 3.235 -4.816 10.936 1.00 0.00 N ATOM 953 CA ARG A 65 3.943 -5.920 10.305 1.00 0.00 C ATOM 954 C ARG A 65 3.474 -6.119 8.868 1.00 0.00 C ATOM 955 O ARG A 65 3.959 -7.012 8.167 1.00 0.00 O ATOM 956 CB ARG A 65 3.741 -7.214 11.094 1.00 0.00 C ATOM 957 CG ARG A 65 4.396 -7.209 12.465 1.00 0.00 C ATOM 958 CD ARG A 65 4.238 -8.555 13.153 1.00 0.00 C ATOM 959 NE ARG A 65 4.816 -9.642 12.364 1.00 0.00 N ATOM 960 CZ ARG A 65 4.559 -10.934 12.566 1.00 0.00 C ATOM 961 NH1 ARG A 65 3.696 -11.305 13.504 1.00 0.00 N ATOM 962 NH2 ARG A 65 5.160 -11.853 11.824 1.00 0.00 N ATOM 0 H ARG A 65 2.221 -4.925 10.952 1.00 0.00 H new ATOM 0 HA ARG A 65 5.004 -5.670 10.297 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.672 -7.392 11.214 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.140 -8.047 10.515 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.455 -6.971 12.364 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.951 -6.428 13.081 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.718 -8.521 14.131 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.180 -8.753 13.324 1.00 0.00 H new ATOM 0 HE ARG A 65 5.457 -9.395 11.610 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.227 -10.600 14.073 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.502 -12.295 13.656 1.00 0.00 H new ATOM 0 HH21 ARG A 65 5.819 -11.571 11.098 1.00 0.00 H new ATOM 0 HH22 ARG A 65 4.963 -12.842 11.979 1.00 0.00 H new ATOM 976 N VAL A 66 2.526 -5.295 8.436 1.00 0.00 N ATOM 977 CA VAL A 66 2.040 -5.352 7.062 1.00 0.00 C ATOM 978 C VAL A 66 3.028 -4.678 6.129 1.00 0.00 C ATOM 979 O VAL A 66 3.807 -3.819 6.548 1.00 0.00 O ATOM 980 CB VAL A 66 0.663 -4.672 6.888 1.00 0.00 C ATOM 981 CG1 VAL A 66 -0.439 -5.459 7.568 1.00 0.00 C ATOM 982 CG2 VAL A 66 0.693 -3.254 7.419 1.00 0.00 C ATOM 0 H VAL A 66 2.080 -4.583 9.014 1.00 0.00 H new ATOM 0 HA VAL A 66 1.933 -6.409 6.817 1.00 0.00 H new ATOM 0 HB VAL A 66 0.448 -4.645 5.820 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.392 -4.950 7.424 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.492 -6.458 7.136 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.226 -5.536 8.634 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.287 -2.795 7.286 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.947 -3.268 8.479 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.441 -2.677 6.875 1.00 0.00 H new ATOM 992 N ASN A 67 2.997 -5.062 4.869 1.00 0.00 N ATOM 993 CA ASN A 67 3.863 -4.438 3.883 1.00 0.00 C ATOM 994 C ASN A 67 3.089 -3.383 3.109 1.00 0.00 C ATOM 995 O ASN A 67 2.301 -3.705 2.222 1.00 0.00 O ATOM 996 CB ASN A 67 4.455 -5.477 2.923 1.00 0.00 C ATOM 997 CG ASN A 67 5.516 -4.884 2.009 1.00 0.00 C ATOM 998 OD1 ASN A 67 5.224 -4.430 0.902 1.00 0.00 O ATOM 999 ND2 ASN A 67 6.762 -4.888 2.463 1.00 0.00 N ATOM 0 H ASN A 67 2.389 -5.795 4.504 1.00 0.00 H new ATOM 0 HA ASN A 67 4.691 -3.962 4.409 1.00 0.00 H new ATOM 0 HB2 ASN A 67 4.891 -6.293 3.499 1.00 0.00 H new ATOM 0 HB3 ASN A 67 3.656 -5.905 2.318 1.00 0.00 H new ATOM 0 HD21 ASN A 67 7.515 -4.507 1.890 1.00 0.00 H new ATOM 0 HD22 ASN A 67 6.968 -5.272 3.385 1.00 0.00 H new ATOM 1006 N PHE A 68 3.273 -2.126 3.485 1.00 0.00 N ATOM 1007 CA PHE A 68 2.660 -1.023 2.763 1.00 0.00 C ATOM 1008 C PHE A 68 3.441 -0.749 1.482 1.00 0.00 C ATOM 1009 O PHE A 68 4.568 -0.249 1.528 1.00 0.00 O ATOM 1010 CB PHE A 68 2.616 0.249 3.615 1.00 0.00 C ATOM 1011 CG PHE A 68 1.738 0.171 4.838 1.00 0.00 C ATOM 1012 CD1 PHE A 68 0.453 -0.348 4.768 1.00 0.00 C ATOM 1013 CD2 PHE A 68 2.192 0.654 6.055 1.00 0.00 C ATOM 1014 CE1 PHE A 68 -0.357 -0.384 5.887 1.00 0.00 C ATOM 1015 CE2 PHE A 68 1.388 0.615 7.179 1.00 0.00 C ATOM 1016 CZ PHE A 68 0.112 0.097 7.095 1.00 0.00 C ATOM 0 H PHE A 68 3.841 -1.846 4.285 1.00 0.00 H new ATOM 0 HA PHE A 68 1.636 -1.308 2.522 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.631 0.491 3.931 1.00 0.00 H new ATOM 0 HB3 PHE A 68 2.271 1.073 2.991 1.00 0.00 H new ATOM 0 HD1 PHE A 68 0.082 -0.728 3.828 1.00 0.00 H new ATOM 0 HD2 PHE A 68 3.188 1.067 6.126 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.356 -0.788 5.818 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.758 0.990 8.122 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.519 0.067 7.971 1.00 0.00 H new ATOM 1026 N VAL A 69 2.851 -1.085 0.349 1.00 0.00 N ATOM 1027 CA VAL A 69 3.529 -0.933 -0.929 1.00 0.00 C ATOM 1028 C VAL A 69 2.697 -0.091 -1.895 1.00 0.00 C ATOM 1029 O VAL A 69 1.467 -0.067 -1.811 1.00 0.00 O ATOM 1030 CB VAL A 69 3.833 -2.312 -1.564 1.00 0.00 C ATOM 1031 CG1 VAL A 69 2.550 -3.044 -1.925 1.00 0.00 C ATOM 1032 CG2 VAL A 69 4.735 -2.173 -2.783 1.00 0.00 C ATOM 0 H VAL A 69 1.906 -1.464 0.286 1.00 0.00 H new ATOM 0 HA VAL A 69 4.471 -0.419 -0.739 1.00 0.00 H new ATOM 0 HB VAL A 69 4.364 -2.905 -0.820 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.794 -4.009 -2.369 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.954 -3.199 -1.026 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.981 -2.450 -2.640 1.00 0.00 H new ATOM 0 HG21 VAL A 69 4.930 -3.159 -3.206 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.244 -1.548 -3.529 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.678 -1.712 -2.487 1.00 0.00 H new ATOM 1042 N ILE A 70 3.377 0.618 -2.790 1.00 0.00 N ATOM 1043 CA ILE A 70 2.711 1.381 -3.835 1.00 0.00 C ATOM 1044 C ILE A 70 2.216 0.437 -4.923 1.00 0.00 C ATOM 1045 O ILE A 70 3.015 -0.118 -5.683 1.00 0.00 O ATOM 1046 CB ILE A 70 3.658 2.420 -4.471 1.00 0.00 C ATOM 1047 CG1 ILE A 70 4.289 3.306 -3.394 1.00 0.00 C ATOM 1048 CG2 ILE A 70 2.903 3.269 -5.487 1.00 0.00 C ATOM 1049 CD1 ILE A 70 5.344 4.251 -3.930 1.00 0.00 C ATOM 0 H ILE A 70 4.395 0.679 -2.811 1.00 0.00 H new ATOM 0 HA ILE A 70 1.874 1.909 -3.377 1.00 0.00 H new ATOM 0 HB ILE A 70 4.458 1.889 -4.987 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.505 3.887 -2.908 1.00 0.00 H new ATOM 0 HG13 ILE A 70 4.736 2.671 -2.629 1.00 0.00 H new ATOM 0 HG21 ILE A 70 3.582 3.998 -5.928 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.501 2.627 -6.271 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.085 3.790 -4.990 1.00 0.00 H new ATOM 0 HD11 ILE A 70 5.748 4.847 -3.112 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.147 3.676 -4.391 1.00 0.00 H new ATOM 0 HD13 ILE A 70 4.897 4.911 -4.674 1.00 0.00 H new ATOM 1061 N SER A 71 0.913 0.242 -4.990 1.00 0.00 N ATOM 1062 CA SER A 71 0.341 -0.697 -5.934 1.00 0.00 C ATOM 1063 C SER A 71 -0.942 -0.137 -6.543 1.00 0.00 C ATOM 1064 O SER A 71 -1.350 0.991 -6.246 1.00 0.00 O ATOM 1065 CB SER A 71 0.063 -2.029 -5.222 1.00 0.00 C ATOM 1066 OG SER A 71 -0.319 -3.047 -6.136 1.00 0.00 O ATOM 0 H SER A 71 0.231 0.721 -4.402 1.00 0.00 H new ATOM 0 HA SER A 71 1.050 -0.864 -6.745 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.954 -2.344 -4.679 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.727 -1.889 -4.484 1.00 0.00 H new ATOM 0 HG SER A 71 -0.486 -3.880 -5.647 1.00 0.00 H new