USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 743 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 36 SER OG : rot 95:sc= 0.874 USER MOD Set 1.2: A 53 HIS : no HD1:sc= -0.572 K(o=0.3,f=-3.1) USER MOD Set 2.1: A 1 MET N :NH3+ 177:sc= 0.506 (180deg=-0.18) USER MOD Set 2.2: A 7 ASN : amide:sc= -0.455 K(o=0.052,f=-10!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 CYS SG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -122:sc= 0.266 (180deg=-0.658!) USER MOD Single : A 14 GLN :FLIP amide:sc= -0.06 F(o=-1.2,f=-0.06) USER MOD Single : A 18 GLN : amide:sc= -0.171 X(o=-0.17,f=-0.17) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 27 GLN : amide:sc= -0.051 X(o=-0.051,f=-0.29) USER MOD Single : A 30 GLN : amide:sc= -0.644 X(o=-0.64,f=-1) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.31 USER MOD Single : A 52 TYR OH : rot -101:sc= 0.0166 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 MET CE :methyl -115:sc= -0.947 (180deg=-2.72!) USER MOD Single : A 59 SER OG : rot -42:sc= 0.151 USER MOD Single : A 61 LYS NZ :NH3+ 159:sc= -0.0722 (180deg=-0.494) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 70 LYS NZ :NH3+ -170:sc=-0.00759 (180deg=-0.124) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -176:sc=-0.00783 (180deg=-0.0522) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.126 2.377 -1.912 1.00 0.00 N ATOM 2 CA MET A 1 0.533 2.405 -3.337 1.00 0.00 C ATOM 3 C MET A 1 -0.234 1.326 -4.122 1.00 0.00 C ATOM 4 O MET A 1 -0.853 1.622 -5.149 1.00 0.00 O ATOM 5 CB MET A 1 2.076 2.236 -3.471 1.00 0.00 C ATOM 6 CG MET A 1 2.887 3.331 -2.751 1.00 0.00 C ATOM 7 SD MET A 1 4.673 3.133 -2.947 1.00 0.00 S ATOM 8 CE MET A 1 5.296 4.496 -1.951 1.00 0.00 C ATOM 0 H1 MET A 1 0.684 3.073 -1.378 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.884 2.611 -1.835 1.00 0.00 H new ATOM 0 H3 MET A 1 0.292 1.427 -1.522 1.00 0.00 H new ATOM 0 HA MET A 1 0.278 3.375 -3.765 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.362 1.263 -3.071 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.342 2.236 -4.528 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.591 4.307 -3.136 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.640 3.319 -1.689 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.386 4.499 -1.979 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.921 5.439 -2.349 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.960 4.377 -0.921 1.00 0.00 H new ATOM 20 N LYS A 2 -0.198 0.077 -3.619 1.00 0.00 N ATOM 21 CA LYS A 2 -0.967 -1.049 -4.188 1.00 0.00 C ATOM 22 C LYS A 2 -2.447 -0.928 -3.788 1.00 0.00 C ATOM 23 O LYS A 2 -3.341 -0.854 -4.643 1.00 0.00 O ATOM 24 CB LYS A 2 -0.394 -2.405 -3.682 1.00 0.00 C ATOM 25 CG LYS A 2 -1.175 -3.659 -4.157 1.00 0.00 C ATOM 26 CD LYS A 2 -0.649 -4.970 -3.528 1.00 0.00 C ATOM 27 CE LYS A 2 0.804 -5.290 -3.922 1.00 0.00 C ATOM 28 NZ LYS A 2 1.308 -6.514 -3.247 1.00 0.00 N ATOM 0 H LYS A 2 0.364 -0.181 -2.808 1.00 0.00 H new ATOM 0 HA LYS A 2 -0.884 -1.015 -5.274 1.00 0.00 H new ATOM 0 HB2 LYS A 2 0.641 -2.492 -4.013 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -0.381 -2.394 -2.592 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -2.229 -3.540 -3.908 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -1.110 -3.731 -5.243 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -0.717 -4.898 -2.443 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -1.292 -5.796 -3.833 1.00 0.00 H new ATOM 0 HE2 LYS A 2 0.866 -5.420 -5.002 1.00 0.00 H new ATOM 0 HE3 LYS A 2 1.443 -4.445 -3.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 2.290 -6.693 -3.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 1.273 -6.381 -2.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 0.714 -7.326 -3.512 1.00 0.00 H new ATOM 42 N CYS A 3 -2.678 -0.927 -2.463 1.00 0.00 N ATOM 43 CA CYS A 3 -4.005 -0.771 -1.875 1.00 0.00 C ATOM 44 C CYS A 3 -4.468 0.682 -2.040 1.00 0.00 C ATOM 45 O CYS A 3 -4.225 1.527 -1.171 1.00 0.00 O ATOM 46 CB CYS A 3 -3.981 -1.190 -0.386 1.00 0.00 C ATOM 47 SG CYS A 3 -3.307 -2.841 -0.107 1.00 0.00 S ATOM 0 H CYS A 3 -1.937 -1.036 -1.771 1.00 0.00 H new ATOM 0 HA CYS A 3 -4.714 -1.419 -2.390 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.391 -0.467 0.176 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -4.996 -1.150 0.010 1.00 0.00 H new ATOM 0 HG CYS A 3 -3.323 -3.107 1.165 1.00 0.00 H new ATOM 53 N LYS A 4 -5.086 0.963 -3.200 1.00 0.00 N ATOM 54 CA LYS A 4 -5.600 2.300 -3.550 1.00 0.00 C ATOM 55 C LYS A 4 -6.723 2.703 -2.568 1.00 0.00 C ATOM 56 O LYS A 4 -6.937 3.892 -2.336 1.00 0.00 O ATOM 57 CB LYS A 4 -6.076 2.315 -5.037 1.00 0.00 C ATOM 58 CG LYS A 4 -6.311 3.723 -5.681 1.00 0.00 C ATOM 59 CD LYS A 4 -7.722 4.331 -5.436 1.00 0.00 C ATOM 60 CE LYS A 4 -8.855 3.492 -6.055 1.00 0.00 C ATOM 61 NZ LYS A 4 -10.194 4.108 -5.835 1.00 0.00 N ATOM 0 H LYS A 4 -5.244 0.265 -3.926 1.00 0.00 H new ATOM 0 HA LYS A 4 -4.805 3.040 -3.458 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -5.337 1.784 -5.637 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.006 1.750 -5.103 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -5.562 4.413 -5.292 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -6.147 3.646 -6.756 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -7.890 4.423 -4.363 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -7.755 5.338 -5.852 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.679 3.380 -7.125 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.842 2.491 -5.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.806 3.437 -5.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.089 4.975 -5.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.623 4.342 -6.753 1.00 0.00 H new ATOM 75 N ARG A 5 -7.413 1.686 -1.988 1.00 0.00 N ATOM 76 CA ARG A 5 -8.379 1.882 -0.883 1.00 0.00 C ATOM 77 C ARG A 5 -7.699 2.593 0.302 1.00 0.00 C ATOM 78 O ARG A 5 -8.200 3.600 0.803 1.00 0.00 O ATOM 79 CB ARG A 5 -8.952 0.528 -0.390 1.00 0.00 C ATOM 80 CG ARG A 5 -9.673 -0.311 -1.463 1.00 0.00 C ATOM 81 CD ARG A 5 -10.269 -1.594 -0.864 1.00 0.00 C ATOM 82 NE ARG A 5 -10.866 -2.481 -1.876 1.00 0.00 N ATOM 83 CZ ARG A 5 -11.880 -3.325 -1.648 1.00 0.00 C ATOM 84 NH1 ARG A 5 -12.563 -3.284 -0.504 1.00 0.00 N ATOM 85 NH2 ARG A 5 -12.227 -4.188 -2.584 1.00 0.00 N ATOM 0 H ARG A 5 -7.313 0.712 -2.274 1.00 0.00 H new ATOM 0 HA ARG A 5 -9.195 2.494 -1.267 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -8.136 -0.064 0.023 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -9.649 0.722 0.425 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -10.466 0.282 -1.919 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -8.972 -0.570 -2.257 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -9.488 -2.136 -0.330 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -11.029 -1.326 -0.130 1.00 0.00 H new ATOM 0 HE ARG A 5 -10.479 -2.450 -2.819 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -12.316 -2.602 0.213 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -13.333 -3.934 -0.346 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -11.724 -4.208 -3.471 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -12.998 -4.835 -2.420 1.00 0.00 H new ATOM 99 N LEU A 6 -6.530 2.055 0.712 1.00 0.00 N ATOM 100 CA LEU A 6 -5.747 2.597 1.833 1.00 0.00 C ATOM 101 C LEU A 6 -5.281 4.029 1.487 1.00 0.00 C ATOM 102 O LEU A 6 -5.372 4.922 2.318 1.00 0.00 O ATOM 103 CB LEU A 6 -4.550 1.642 2.176 1.00 0.00 C ATOM 104 CG LEU A 6 -3.740 1.882 3.511 1.00 0.00 C ATOM 105 CD1 LEU A 6 -2.745 3.063 3.419 1.00 0.00 C ATOM 106 CD2 LEU A 6 -4.688 2.035 4.722 1.00 0.00 C ATOM 0 H LEU A 6 -6.108 1.236 0.274 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.367 2.656 2.727 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.938 0.624 2.205 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -3.843 1.690 1.348 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.133 0.989 3.663 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.222 3.173 4.369 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -2.022 2.869 2.627 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.289 3.981 3.196 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.101 2.199 5.625 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -5.350 2.886 4.560 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -5.283 1.129 4.835 1.00 0.00 H new ATOM 118 N ASN A 7 -4.820 4.223 0.237 1.00 0.00 N ATOM 119 CA ASN A 7 -4.356 5.535 -0.271 1.00 0.00 C ATOM 120 C ASN A 7 -5.442 6.625 -0.107 1.00 0.00 C ATOM 121 O ASN A 7 -5.232 7.628 0.587 1.00 0.00 O ATOM 122 CB ASN A 7 -3.954 5.419 -1.774 1.00 0.00 C ATOM 123 CG ASN A 7 -2.734 4.536 -2.038 1.00 0.00 C ATOM 124 OD1 ASN A 7 -2.404 3.635 -1.270 1.00 0.00 O ATOM 125 ND2 ASN A 7 -2.075 4.777 -3.156 1.00 0.00 N ATOM 0 H ASN A 7 -4.757 3.475 -0.453 1.00 0.00 H new ATOM 0 HA ASN A 7 -3.488 5.828 0.319 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -4.801 5.023 -2.334 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -3.754 6.418 -2.162 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -1.266 4.208 -3.404 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -2.375 5.533 -3.772 1.00 0.00 H new ATOM 132 N GLU A 8 -6.622 6.369 -0.692 1.00 0.00 N ATOM 133 CA GLU A 8 -7.704 7.367 -0.824 1.00 0.00 C ATOM 134 C GLU A 8 -8.356 7.691 0.533 1.00 0.00 C ATOM 135 O GLU A 8 -8.719 8.850 0.801 1.00 0.00 O ATOM 136 CB GLU A 8 -8.743 6.881 -1.868 1.00 0.00 C ATOM 137 CG GLU A 8 -9.491 5.574 -1.519 1.00 0.00 C ATOM 138 CD GLU A 8 -10.318 4.990 -2.688 1.00 0.00 C ATOM 139 OE1 GLU A 8 -10.871 5.767 -3.502 1.00 0.00 O ATOM 140 OE2 GLU A 8 -10.391 3.752 -2.827 1.00 0.00 O ATOM 0 H GLU A 8 -6.857 5.460 -1.090 1.00 0.00 H new ATOM 0 HA GLU A 8 -7.270 8.301 -1.181 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.480 7.671 -2.013 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -8.233 6.742 -2.821 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -8.766 4.829 -1.193 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -10.156 5.762 -0.676 1.00 0.00 H new ATOM 147 N VAL A 9 -8.466 6.682 1.415 1.00 0.00 N ATOM 148 CA VAL A 9 -8.973 6.906 2.777 1.00 0.00 C ATOM 149 C VAL A 9 -7.929 7.709 3.598 1.00 0.00 C ATOM 150 O VAL A 9 -8.270 8.644 4.292 1.00 0.00 O ATOM 151 CB VAL A 9 -9.412 5.578 3.508 1.00 0.00 C ATOM 152 CG1 VAL A 9 -10.506 4.828 2.707 1.00 0.00 C ATOM 153 CG2 VAL A 9 -8.216 4.659 3.846 1.00 0.00 C ATOM 0 H VAL A 9 -8.214 5.715 1.211 1.00 0.00 H new ATOM 0 HA VAL A 9 -9.887 7.495 2.696 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.846 5.875 4.463 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.786 3.918 3.238 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.381 5.469 2.598 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -10.121 4.569 1.721 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -8.577 3.761 4.347 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -7.701 4.379 2.927 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -7.525 5.188 4.502 1.00 0.00 H new ATOM 163 N ILE A 10 -6.638 7.388 3.449 1.00 0.00 N ATOM 164 CA ILE A 10 -5.533 8.155 4.087 1.00 0.00 C ATOM 165 C ILE A 10 -5.298 9.531 3.371 1.00 0.00 C ATOM 166 O ILE A 10 -4.475 10.345 3.803 1.00 0.00 O ATOM 167 CB ILE A 10 -4.235 7.233 4.191 1.00 0.00 C ATOM 168 CG1 ILE A 10 -4.538 6.006 5.120 1.00 0.00 C ATOM 169 CG2 ILE A 10 -2.941 7.948 4.654 1.00 0.00 C ATOM 170 CD1 ILE A 10 -5.045 6.351 6.519 1.00 0.00 C ATOM 0 H ILE A 10 -6.319 6.597 2.889 1.00 0.00 H new ATOM 0 HA ILE A 10 -5.808 8.424 5.107 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.023 6.915 3.170 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -5.279 5.375 4.629 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.629 5.413 5.218 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.122 7.230 4.690 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.695 8.745 3.952 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -3.095 8.373 5.646 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.223 5.432 7.078 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.299 6.953 7.038 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.975 6.914 6.440 1.00 0.00 H new ATOM 182 N GLU A 11 -6.080 9.820 2.309 1.00 0.00 N ATOM 183 CA GLU A 11 -6.169 11.184 1.733 1.00 0.00 C ATOM 184 C GLU A 11 -7.137 12.081 2.553 1.00 0.00 C ATOM 185 O GLU A 11 -6.717 13.137 3.045 1.00 0.00 O ATOM 186 CB GLU A 11 -6.567 11.146 0.234 1.00 0.00 C ATOM 187 CG GLU A 11 -5.472 10.602 -0.715 1.00 0.00 C ATOM 188 CD GLU A 11 -4.198 11.466 -0.729 1.00 0.00 C ATOM 189 OE1 GLU A 11 -4.160 12.461 -1.484 1.00 0.00 O ATOM 190 OE2 GLU A 11 -3.243 11.178 0.028 1.00 0.00 O ATOM 0 H GLU A 11 -6.659 9.129 1.832 1.00 0.00 H new ATOM 0 HA GLU A 11 -5.176 11.629 1.794 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.460 10.531 0.125 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.834 12.154 -0.082 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.212 9.587 -0.415 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.874 10.542 -1.726 1.00 0.00 H new ATOM 197 N LEU A 12 -8.428 11.675 2.706 1.00 0.00 N ATOM 198 CA LEU A 12 -9.443 12.519 3.429 1.00 0.00 C ATOM 199 C LEU A 12 -9.667 12.029 4.881 1.00 0.00 C ATOM 200 O LEU A 12 -9.562 12.805 5.828 1.00 0.00 O ATOM 201 CB LEU A 12 -10.820 12.680 2.641 1.00 0.00 C ATOM 202 CG LEU A 12 -11.295 11.573 1.624 1.00 0.00 C ATOM 203 CD1 LEU A 12 -10.449 11.577 0.336 1.00 0.00 C ATOM 204 CD2 LEU A 12 -11.354 10.169 2.251 1.00 0.00 C ATOM 0 H LEU A 12 -8.792 10.791 2.351 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.013 13.519 3.477 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -11.607 12.790 3.387 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.768 13.620 2.092 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.317 11.834 1.351 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.809 10.800 -0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.534 12.548 -0.152 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.405 11.386 0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.687 9.450 1.503 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.363 9.888 2.608 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -12.053 10.173 3.087 1.00 0.00 H new ATOM 216 N LEU A 13 -9.901 10.726 5.024 1.00 0.00 N ATOM 217 CA LEU A 13 -10.279 10.069 6.293 1.00 0.00 C ATOM 218 C LEU A 13 -9.108 10.033 7.298 1.00 0.00 C ATOM 219 O LEU A 13 -9.341 9.754 8.470 1.00 0.00 O ATOM 220 CB LEU A 13 -10.827 8.638 5.939 1.00 0.00 C ATOM 221 CG LEU A 13 -10.793 7.498 7.021 1.00 0.00 C ATOM 222 CD1 LEU A 13 -11.975 6.513 6.864 1.00 0.00 C ATOM 223 CD2 LEU A 13 -9.449 6.728 6.963 1.00 0.00 C ATOM 0 H LEU A 13 -9.833 10.072 4.244 1.00 0.00 H new ATOM 0 HA LEU A 13 -11.057 10.640 6.799 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -11.864 8.756 5.624 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -10.269 8.281 5.073 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.889 7.979 7.995 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.911 5.742 7.632 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -12.916 7.054 6.970 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -11.933 6.048 5.879 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.446 5.944 7.720 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.328 6.281 5.976 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.626 7.417 7.152 1.00 0.00 H new ATOM 235 N GLN A 14 -7.868 10.354 6.822 1.00 0.00 N ATOM 236 CA GLN A 14 -6.608 10.246 7.604 1.00 0.00 C ATOM 237 C GLN A 14 -6.808 10.689 9.094 1.00 0.00 C ATOM 238 O GLN A 14 -6.596 9.856 9.973 1.00 0.00 O ATOM 239 CB GLN A 14 -5.445 11.050 6.912 1.00 0.00 C ATOM 240 CG GLN A 14 -4.012 10.485 7.071 1.00 0.00 C ATOM 241 CD GLN A 14 -3.582 10.156 8.502 1.00 0.00 C ATOM 242 OE1 GLN A 14 -3.743 8.896 8.900 1.00 0.00 O flip ATOM 243 NE2 GLN A 14 -3.072 11.001 9.227 1.00 0.00 N flip ATOM 0 H GLN A 14 -7.719 10.698 5.873 1.00 0.00 H new ATOM 0 HA GLN A 14 -6.321 9.195 7.622 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -5.667 11.118 5.847 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -5.455 12.067 7.305 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -3.930 9.580 6.470 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -3.309 11.208 6.657 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -2.962 11.959 8.894 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -2.757 10.747 10.163 1.00 0.00 H new ATOM 252 N PRO A 15 -7.273 11.967 9.405 1.00 0.00 N ATOM 253 CA PRO A 15 -7.514 12.382 10.801 1.00 0.00 C ATOM 254 C PRO A 15 -8.675 11.597 11.455 1.00 0.00 C ATOM 255 O PRO A 15 -8.507 11.116 12.577 1.00 0.00 O ATOM 256 CB PRO A 15 -7.813 13.902 10.699 1.00 0.00 C ATOM 257 CG PRO A 15 -8.277 14.118 9.297 1.00 0.00 C ATOM 258 CD PRO A 15 -7.571 13.090 8.453 1.00 0.00 C ATOM 0 HA PRO A 15 -6.660 12.174 11.445 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -8.577 14.202 11.417 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -6.923 14.493 10.915 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -9.359 14.004 9.224 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -8.039 15.127 8.960 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -8.198 12.755 7.627 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -6.658 13.494 8.016 1.00 0.00 H new ATOM 266 N ALA A 16 -9.820 11.449 10.742 1.00 0.00 N ATOM 267 CA ALA A 16 -11.033 10.768 11.259 1.00 0.00 C ATOM 268 C ALA A 16 -10.733 9.354 11.825 1.00 0.00 C ATOM 269 O ALA A 16 -11.219 9.000 12.905 1.00 0.00 O ATOM 270 CB ALA A 16 -12.094 10.687 10.154 1.00 0.00 C ATOM 0 H ALA A 16 -9.928 11.800 9.790 1.00 0.00 H new ATOM 0 HA ALA A 16 -11.410 11.364 12.090 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -12.982 10.186 10.539 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -12.357 11.693 9.828 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -11.697 10.124 9.309 1.00 0.00 H new ATOM 276 N TRP A 17 -9.934 8.561 11.087 1.00 0.00 N ATOM 277 CA TRP A 17 -9.524 7.204 11.512 1.00 0.00 C ATOM 278 C TRP A 17 -8.544 7.270 12.689 1.00 0.00 C ATOM 279 O TRP A 17 -8.564 6.418 13.560 1.00 0.00 O ATOM 280 CB TRP A 17 -8.891 6.439 10.332 1.00 0.00 C ATOM 281 CG TRP A 17 -8.767 4.932 10.486 1.00 0.00 C ATOM 282 CD1 TRP A 17 -9.306 4.121 11.450 1.00 0.00 C ATOM 283 CD2 TRP A 17 -8.070 4.056 9.588 1.00 0.00 C ATOM 284 NE1 TRP A 17 -8.971 2.814 11.211 1.00 0.00 N ATOM 285 CE2 TRP A 17 -8.211 2.750 10.074 1.00 0.00 C ATOM 286 CE3 TRP A 17 -7.330 4.267 8.426 1.00 0.00 C ATOM 287 CZ2 TRP A 17 -7.647 1.653 9.433 1.00 0.00 C ATOM 288 CZ3 TRP A 17 -6.771 3.187 7.780 1.00 0.00 C ATOM 289 CH2 TRP A 17 -6.930 1.886 8.286 1.00 0.00 C ATOM 0 H TRP A 17 -9.554 8.839 10.182 1.00 0.00 H new ATOM 0 HA TRP A 17 -10.415 6.669 11.840 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -9.481 6.643 9.438 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -7.895 6.847 10.157 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -9.908 4.463 12.279 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -9.244 2.018 11.787 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -7.197 5.266 8.037 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -7.769 0.653 9.823 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -6.204 3.342 6.874 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -6.480 1.055 7.763 1.00 0.00 H new ATOM 300 N GLN A 18 -7.681 8.296 12.707 1.00 0.00 N ATOM 301 CA GLN A 18 -6.727 8.494 13.825 1.00 0.00 C ATOM 302 C GLN A 18 -7.448 8.905 15.130 1.00 0.00 C ATOM 303 O GLN A 18 -6.867 8.815 16.219 1.00 0.00 O ATOM 304 CB GLN A 18 -5.613 9.509 13.457 1.00 0.00 C ATOM 305 CG GLN A 18 -4.702 9.086 12.279 1.00 0.00 C ATOM 306 CD GLN A 18 -4.110 7.681 12.410 1.00 0.00 C ATOM 307 OE1 GLN A 18 -3.037 7.494 12.978 1.00 0.00 O ATOM 308 NE2 GLN A 18 -4.802 6.684 11.866 1.00 0.00 N ATOM 0 H GLN A 18 -7.618 8.999 11.971 1.00 0.00 H new ATOM 0 HA GLN A 18 -6.248 7.532 14.005 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.079 10.463 13.211 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.990 9.676 14.336 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -5.276 9.140 11.354 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -3.886 9.804 12.190 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.690 6.874 11.401 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -4.445 5.730 11.913 1.00 0.00 H new ATOM 317 N LYS A 19 -8.721 9.335 15.014 1.00 0.00 N ATOM 318 CA LYS A 19 -9.576 9.636 16.186 1.00 0.00 C ATOM 319 C LYS A 19 -10.059 8.333 16.860 1.00 0.00 C ATOM 320 O LYS A 19 -10.361 8.328 18.061 1.00 0.00 O ATOM 321 CB LYS A 19 -10.804 10.506 15.795 1.00 0.00 C ATOM 322 CG LYS A 19 -10.488 11.759 14.952 1.00 0.00 C ATOM 323 CD LYS A 19 -9.338 12.619 15.524 1.00 0.00 C ATOM 324 CE LYS A 19 -8.979 13.802 14.610 1.00 0.00 C ATOM 325 NZ LYS A 19 -7.816 14.575 15.118 1.00 0.00 N ATOM 0 H LYS A 19 -9.183 9.483 14.117 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.966 10.202 16.890 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -11.506 9.884 15.240 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -11.309 10.821 16.708 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -10.229 11.449 13.940 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -11.386 12.372 14.878 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -9.624 12.996 16.506 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.457 11.994 15.667 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -8.757 13.431 13.610 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.841 14.463 14.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.612 15.362 14.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.036 14.953 16.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.985 13.952 15.179 1.00 0.00 H new ATOM 339 N GLU A 20 -10.118 7.234 16.074 1.00 0.00 N ATOM 340 CA GLU A 20 -10.524 5.906 16.573 1.00 0.00 C ATOM 341 C GLU A 20 -9.904 4.784 15.683 1.00 0.00 C ATOM 342 O GLU A 20 -10.590 4.192 14.834 1.00 0.00 O ATOM 343 CB GLU A 20 -12.082 5.813 16.648 1.00 0.00 C ATOM 344 CG GLU A 20 -12.638 4.508 17.253 1.00 0.00 C ATOM 345 CD GLU A 20 -12.165 4.242 18.695 1.00 0.00 C ATOM 346 OE1 GLU A 20 -12.804 4.735 19.641 1.00 0.00 O ATOM 347 OE2 GLU A 20 -11.139 3.566 18.882 1.00 0.00 O ATOM 0 H GLU A 20 -9.886 7.245 15.081 1.00 0.00 H new ATOM 0 HA GLU A 20 -10.143 5.763 17.584 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.451 6.653 17.237 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -12.485 5.928 15.642 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.727 4.547 17.239 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.341 3.670 16.622 1.00 0.00 H new ATOM 354 N PRO A 21 -8.555 4.518 15.820 1.00 0.00 N ATOM 355 CA PRO A 21 -7.836 3.499 15.012 1.00 0.00 C ATOM 356 C PRO A 21 -7.847 2.085 15.646 1.00 0.00 C ATOM 357 O PRO A 21 -6.992 1.249 15.329 1.00 0.00 O ATOM 358 CB PRO A 21 -6.415 4.106 14.944 1.00 0.00 C ATOM 359 CG PRO A 21 -6.228 4.766 16.279 1.00 0.00 C ATOM 360 CD PRO A 21 -7.610 5.222 16.735 1.00 0.00 C ATOM 0 HA PRO A 21 -8.294 3.322 14.039 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.662 3.337 14.772 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -6.328 4.825 14.129 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -5.792 4.071 16.997 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.546 5.613 16.201 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.793 4.956 17.776 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.716 6.304 16.660 1.00 0.00 H new ATOM 368 N ASP A 22 -8.825 1.825 16.533 1.00 0.00 N ATOM 369 CA ASP A 22 -9.048 0.482 17.115 1.00 0.00 C ATOM 370 C ASP A 22 -9.682 -0.453 16.071 1.00 0.00 C ATOM 371 O ASP A 22 -9.283 -1.617 15.937 1.00 0.00 O ATOM 372 CB ASP A 22 -9.941 0.595 18.377 1.00 0.00 C ATOM 373 CG ASP A 22 -10.466 -0.750 18.917 1.00 0.00 C ATOM 374 OD1 ASP A 22 -9.653 -1.587 19.362 1.00 0.00 O ATOM 375 OD2 ASP A 22 -11.698 -0.979 18.895 1.00 0.00 O ATOM 0 H ASP A 22 -9.480 2.532 16.867 1.00 0.00 H new ATOM 0 HA ASP A 22 -8.089 0.056 17.410 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.373 1.090 19.164 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -10.792 1.236 18.147 1.00 0.00 H new ATOM 380 N PHE A 23 -10.664 0.084 15.334 1.00 0.00 N ATOM 381 CA PHE A 23 -11.387 -0.655 14.287 1.00 0.00 C ATOM 382 C PHE A 23 -10.513 -0.820 13.032 1.00 0.00 C ATOM 383 O PHE A 23 -9.709 0.063 12.713 1.00 0.00 O ATOM 384 CB PHE A 23 -12.706 0.077 13.929 1.00 0.00 C ATOM 385 CG PHE A 23 -13.684 0.210 15.095 1.00 0.00 C ATOM 386 CD1 PHE A 23 -14.501 -0.858 15.469 1.00 0.00 C ATOM 387 CD2 PHE A 23 -13.780 1.396 15.821 1.00 0.00 C ATOM 388 CE1 PHE A 23 -15.382 -0.740 16.528 1.00 0.00 C ATOM 389 CE2 PHE A 23 -14.661 1.511 16.880 1.00 0.00 C ATOM 390 CZ PHE A 23 -15.459 0.444 17.233 1.00 0.00 C ATOM 0 H PHE A 23 -10.981 1.047 15.447 1.00 0.00 H new ATOM 0 HA PHE A 23 -11.626 -1.647 14.670 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -12.466 1.072 13.555 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -13.197 -0.459 13.117 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -14.444 -1.789 14.924 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -13.157 2.237 15.552 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -16.010 -1.574 16.804 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -14.724 2.438 17.431 1.00 0.00 H new ATOM 0 HZ PHE A 23 -16.145 0.535 18.062 1.00 0.00 H new ATOM 400 N ASN A 24 -10.692 -1.959 12.323 1.00 0.00 N ATOM 401 CA ASN A 24 -9.984 -2.258 11.050 1.00 0.00 C ATOM 402 C ASN A 24 -10.425 -1.294 9.920 1.00 0.00 C ATOM 403 O ASN A 24 -11.199 -0.361 10.158 1.00 0.00 O ATOM 404 CB ASN A 24 -10.248 -3.731 10.609 1.00 0.00 C ATOM 405 CG ASN A 24 -9.779 -4.786 11.616 1.00 0.00 C ATOM 406 OD1 ASN A 24 -8.830 -4.573 12.361 1.00 0.00 O ATOM 407 ND2 ASN A 24 -10.440 -5.940 11.630 1.00 0.00 N ATOM 0 H ASN A 24 -11.331 -2.699 12.615 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.918 -2.119 11.229 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -11.317 -3.860 10.437 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -9.748 -3.908 9.657 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -10.161 -6.680 12.274 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -11.226 -6.085 10.996 1.00 0.00 H new ATOM 414 N LEU A 25 -9.933 -1.544 8.688 1.00 0.00 N ATOM 415 CA LEU A 25 -10.261 -0.720 7.509 1.00 0.00 C ATOM 416 C LEU A 25 -11.796 -0.732 7.276 1.00 0.00 C ATOM 417 O LEU A 25 -12.439 0.305 7.371 1.00 0.00 O ATOM 418 CB LEU A 25 -9.444 -1.234 6.272 1.00 0.00 C ATOM 419 CG LEU A 25 -9.333 -0.304 5.000 1.00 0.00 C ATOM 420 CD1 LEU A 25 -10.598 -0.314 4.127 1.00 0.00 C ATOM 421 CD2 LEU A 25 -8.942 1.139 5.386 1.00 0.00 C ATOM 0 H LEU A 25 -9.301 -2.318 8.485 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.975 0.319 7.671 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.432 -1.453 6.612 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -9.884 -2.179 5.954 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.534 -0.728 4.392 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -10.454 0.345 3.271 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.790 -1.328 3.776 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -11.448 0.034 4.714 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.875 1.751 4.486 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.698 1.555 6.052 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.977 1.131 5.892 1.00 0.00 H new ATOM 433 N LEU A 26 -12.376 -1.927 7.075 1.00 0.00 N ATOM 434 CA LEU A 26 -13.833 -2.082 6.835 1.00 0.00 C ATOM 435 C LEU A 26 -14.667 -1.859 8.120 1.00 0.00 C ATOM 436 O LEU A 26 -15.814 -1.412 8.027 1.00 0.00 O ATOM 437 CB LEU A 26 -14.161 -3.473 6.188 1.00 0.00 C ATOM 438 CG LEU A 26 -14.192 -3.537 4.625 1.00 0.00 C ATOM 439 CD1 LEU A 26 -15.254 -2.574 4.048 1.00 0.00 C ATOM 440 CD2 LEU A 26 -12.802 -3.285 4.020 1.00 0.00 C ATOM 0 H LEU A 26 -11.861 -2.807 7.073 1.00 0.00 H new ATOM 0 HA LEU A 26 -14.118 -1.303 6.128 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.425 -4.194 6.542 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -15.132 -3.800 6.560 1.00 0.00 H new ATOM 0 HG LEU A 26 -14.482 -4.549 4.342 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -15.252 -2.640 2.960 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -16.238 -2.849 4.427 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -15.021 -1.553 4.350 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -12.863 -3.337 2.933 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -12.450 -2.297 4.316 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.105 -4.042 4.381 1.00 0.00 H new ATOM 452 N GLN A 27 -14.098 -2.166 9.302 1.00 0.00 N ATOM 453 CA GLN A 27 -14.818 -2.014 10.590 1.00 0.00 C ATOM 454 C GLN A 27 -15.055 -0.529 10.923 1.00 0.00 C ATOM 455 O GLN A 27 -16.140 -0.153 11.376 1.00 0.00 O ATOM 456 CB GLN A 27 -14.063 -2.715 11.750 1.00 0.00 C ATOM 457 CG GLN A 27 -13.905 -4.240 11.590 1.00 0.00 C ATOM 458 CD GLN A 27 -15.234 -5.000 11.483 1.00 0.00 C ATOM 459 OE1 GLN A 27 -16.254 -4.599 12.048 1.00 0.00 O ATOM 460 NE2 GLN A 27 -15.231 -6.111 10.764 1.00 0.00 N ATOM 0 H GLN A 27 -13.146 -2.520 9.396 1.00 0.00 H new ATOM 0 HA GLN A 27 -15.787 -2.500 10.477 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -13.073 -2.269 11.842 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -14.591 -2.514 12.682 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -13.311 -4.441 10.699 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -13.345 -4.628 12.441 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -14.373 -6.420 10.307 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -16.086 -6.658 10.667 1.00 0.00 H new ATOM 469 N PHE A 28 -14.046 0.317 10.684 1.00 0.00 N ATOM 470 CA PHE A 28 -14.178 1.772 10.894 1.00 0.00 C ATOM 471 C PHE A 28 -15.095 2.371 9.813 1.00 0.00 C ATOM 472 O PHE A 28 -15.862 3.308 10.067 1.00 0.00 O ATOM 473 CB PHE A 28 -12.798 2.473 10.890 1.00 0.00 C ATOM 474 CG PHE A 28 -12.896 3.959 11.243 1.00 0.00 C ATOM 475 CD1 PHE A 28 -13.129 4.353 12.560 1.00 0.00 C ATOM 476 CD2 PHE A 28 -12.815 4.952 10.262 1.00 0.00 C ATOM 477 CE1 PHE A 28 -13.276 5.684 12.884 1.00 0.00 C ATOM 478 CE2 PHE A 28 -12.954 6.288 10.594 1.00 0.00 C ATOM 479 CZ PHE A 28 -13.191 6.650 11.904 1.00 0.00 C ATOM 0 H PHE A 28 -13.129 0.024 10.346 1.00 0.00 H new ATOM 0 HA PHE A 28 -14.624 1.938 11.875 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -12.139 1.976 11.602 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -12.342 2.366 9.906 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -13.195 3.605 13.336 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -12.642 4.673 9.233 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -13.458 5.972 13.909 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -12.877 7.046 9.829 1.00 0.00 H new ATOM 0 HZ PHE A 28 -13.310 7.692 12.162 1.00 0.00 H new ATOM 489 N LEU A 29 -14.994 1.805 8.605 1.00 0.00 N ATOM 490 CA LEU A 29 -15.841 2.175 7.460 1.00 0.00 C ATOM 491 C LEU A 29 -17.336 1.874 7.736 1.00 0.00 C ATOM 492 O LEU A 29 -18.193 2.648 7.323 1.00 0.00 O ATOM 493 CB LEU A 29 -15.324 1.477 6.164 1.00 0.00 C ATOM 494 CG LEU A 29 -14.337 2.310 5.279 1.00 0.00 C ATOM 495 CD1 LEU A 29 -13.189 2.973 6.080 1.00 0.00 C ATOM 496 CD2 LEU A 29 -13.804 1.453 4.111 1.00 0.00 C ATOM 0 H LEU A 29 -14.318 1.072 8.391 1.00 0.00 H new ATOM 0 HA LEU A 29 -15.771 3.252 7.309 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -14.829 0.549 6.449 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -16.185 1.205 5.554 1.00 0.00 H new ATOM 0 HG LEU A 29 -14.912 3.140 4.869 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -12.547 3.532 5.400 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -13.608 3.651 6.823 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -12.603 2.203 6.581 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -13.119 2.048 3.506 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -13.277 0.585 4.507 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -14.638 1.120 3.493 1.00 0.00 H new ATOM 508 N GLN A 30 -17.630 0.772 8.464 1.00 0.00 N ATOM 509 CA GLN A 30 -19.014 0.387 8.816 1.00 0.00 C ATOM 510 C GLN A 30 -19.576 1.345 9.887 1.00 0.00 C ATOM 511 O GLN A 30 -20.774 1.630 9.898 1.00 0.00 O ATOM 512 CB GLN A 30 -19.081 -1.121 9.256 1.00 0.00 C ATOM 513 CG GLN A 30 -18.903 -1.420 10.766 1.00 0.00 C ATOM 514 CD GLN A 30 -20.216 -1.412 11.568 1.00 0.00 C ATOM 515 OE1 GLN A 30 -21.241 -1.874 11.101 1.00 0.00 O ATOM 516 NE2 GLN A 30 -20.198 -0.821 12.744 1.00 0.00 N ATOM 0 H GLN A 30 -16.921 0.131 8.820 1.00 0.00 H new ATOM 0 HA GLN A 30 -19.648 0.480 7.934 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -20.044 -1.523 8.942 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -18.313 -1.668 8.709 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -18.427 -2.394 10.879 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -18.224 -0.682 11.194 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -19.325 -0.443 13.111 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -21.057 -0.741 13.288 1.00 0.00 H new ATOM 525 N LYS A 31 -18.687 1.832 10.786 1.00 0.00 N ATOM 526 CA LYS A 31 -19.046 2.833 11.819 1.00 0.00 C ATOM 527 C LYS A 31 -19.599 4.112 11.152 1.00 0.00 C ATOM 528 O LYS A 31 -20.760 4.507 11.374 1.00 0.00 O ATOM 529 CB LYS A 31 -17.796 3.186 12.692 1.00 0.00 C ATOM 530 CG LYS A 31 -17.212 2.010 13.510 1.00 0.00 C ATOM 531 CD LYS A 31 -18.166 1.488 14.600 1.00 0.00 C ATOM 532 CE LYS A 31 -18.486 2.548 15.664 1.00 0.00 C ATOM 533 NZ LYS A 31 -19.441 2.043 16.675 1.00 0.00 N ATOM 0 H LYS A 31 -17.709 1.545 10.816 1.00 0.00 H new ATOM 0 HA LYS A 31 -19.816 2.407 12.462 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -17.015 3.577 12.039 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -18.067 3.987 13.380 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -16.966 1.193 12.832 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -16.280 2.329 13.976 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -19.094 1.154 14.136 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -17.719 0.618 15.082 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -17.565 2.857 16.157 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -18.902 3.433 15.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -19.631 2.788 17.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -20.330 1.772 16.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -19.034 1.214 17.153 1.00 0.00 H new ATOM 547 N LEU A 32 -18.770 4.692 10.269 1.00 0.00 N ATOM 548 CA LEU A 32 -19.056 5.974 9.613 1.00 0.00 C ATOM 549 C LEU A 32 -20.149 5.836 8.530 1.00 0.00 C ATOM 550 O LEU A 32 -20.796 6.827 8.180 1.00 0.00 O ATOM 551 CB LEU A 32 -17.736 6.591 9.053 1.00 0.00 C ATOM 552 CG LEU A 32 -17.049 5.846 7.853 1.00 0.00 C ATOM 553 CD1 LEU A 32 -17.630 6.266 6.483 1.00 0.00 C ATOM 554 CD2 LEU A 32 -15.514 6.017 7.881 1.00 0.00 C ATOM 0 H LEU A 32 -17.879 4.281 9.990 1.00 0.00 H new ATOM 0 HA LEU A 32 -19.460 6.662 10.356 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -17.947 7.613 8.740 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -17.017 6.650 9.870 1.00 0.00 H new ATOM 0 HG LEU A 32 -17.272 4.787 7.981 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -17.120 5.721 5.689 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -18.695 6.037 6.454 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -17.485 7.337 6.339 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -15.073 5.488 7.036 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -15.265 7.076 7.816 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -15.119 5.608 8.811 1.00 0.00 H new ATOM 566 N ALA A 33 -20.312 4.617 7.975 1.00 0.00 N ATOM 567 CA ALA A 33 -21.320 4.338 6.937 1.00 0.00 C ATOM 568 C ALA A 33 -22.726 4.287 7.548 1.00 0.00 C ATOM 569 O ALA A 33 -23.608 5.066 7.169 1.00 0.00 O ATOM 570 CB ALA A 33 -21.012 3.018 6.211 1.00 0.00 C ATOM 0 H ALA A 33 -19.751 3.805 8.233 1.00 0.00 H new ATOM 0 HA ALA A 33 -21.283 5.149 6.209 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -21.771 2.836 5.450 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -20.032 3.083 5.738 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -21.014 2.198 6.930 1.00 0.00 H new ATOM 576 N LYS A 34 -22.917 3.361 8.505 1.00 0.00 N ATOM 577 CA LYS A 34 -24.238 3.082 9.096 1.00 0.00 C ATOM 578 C LYS A 34 -24.790 4.280 9.898 1.00 0.00 C ATOM 579 O LYS A 34 -26.012 4.477 9.927 1.00 0.00 O ATOM 580 CB LYS A 34 -24.194 1.799 9.964 1.00 0.00 C ATOM 581 CG LYS A 34 -23.786 0.528 9.175 1.00 0.00 C ATOM 582 CD LYS A 34 -24.038 -0.780 9.962 1.00 0.00 C ATOM 583 CE LYS A 34 -25.534 -1.097 10.122 1.00 0.00 C ATOM 584 NZ LYS A 34 -25.783 -2.351 10.883 1.00 0.00 N ATOM 0 H LYS A 34 -22.165 2.788 8.888 1.00 0.00 H new ATOM 0 HA LYS A 34 -24.929 2.915 8.270 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -23.491 1.949 10.783 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -25.175 1.639 10.411 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -24.342 0.495 8.238 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -22.729 0.592 8.916 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -23.548 -1.608 9.449 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -23.580 -0.700 10.948 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -26.024 -0.266 10.630 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -25.990 -1.180 9.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -26.807 -2.513 10.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -25.342 -3.151 10.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -25.374 -2.266 11.836 1.00 0.00 H new ATOM 598 N GLU A 35 -23.897 5.098 10.511 1.00 0.00 N ATOM 599 CA GLU A 35 -24.318 6.336 11.221 1.00 0.00 C ATOM 600 C GLU A 35 -24.908 7.370 10.228 1.00 0.00 C ATOM 601 O GLU A 35 -25.724 8.214 10.606 1.00 0.00 O ATOM 602 CB GLU A 35 -23.136 6.976 11.998 1.00 0.00 C ATOM 603 CG GLU A 35 -22.034 7.561 11.093 1.00 0.00 C ATOM 604 CD GLU A 35 -20.959 8.355 11.847 1.00 0.00 C ATOM 605 OE1 GLU A 35 -20.166 7.742 12.590 1.00 0.00 O ATOM 606 OE2 GLU A 35 -20.907 9.596 11.701 1.00 0.00 O ATOM 0 H GLU A 35 -22.892 4.927 10.529 1.00 0.00 H new ATOM 0 HA GLU A 35 -25.088 6.049 11.937 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -23.523 7.767 12.640 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -22.694 6.223 12.651 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -21.555 6.747 10.550 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -22.496 8.211 10.350 1.00 0.00 H new ATOM 613 N SER A 36 -24.473 7.283 8.952 1.00 0.00 N ATOM 614 CA SER A 36 -24.931 8.168 7.860 1.00 0.00 C ATOM 615 C SER A 36 -26.232 7.643 7.207 1.00 0.00 C ATOM 616 O SER A 36 -26.721 8.224 6.228 1.00 0.00 O ATOM 617 CB SER A 36 -23.802 8.297 6.813 1.00 0.00 C ATOM 618 OG SER A 36 -22.614 8.778 7.415 1.00 0.00 O ATOM 0 H SER A 36 -23.788 6.590 8.649 1.00 0.00 H new ATOM 0 HA SER A 36 -25.160 9.150 8.275 1.00 0.00 H new ATOM 0 HB2 SER A 36 -23.615 7.328 6.351 1.00 0.00 H new ATOM 0 HB3 SER A 36 -24.113 8.974 6.017 1.00 0.00 H new ATOM 0 HG SER A 36 -22.045 8.021 7.666 1.00 0.00 H new ATOM 624 N GLY A 37 -26.785 6.549 7.767 1.00 0.00 N ATOM 625 CA GLY A 37 -28.035 5.957 7.286 1.00 0.00 C ATOM 626 C GLY A 37 -27.839 5.126 6.028 1.00 0.00 C ATOM 627 O GLY A 37 -28.674 5.155 5.120 1.00 0.00 O ATOM 0 H GLY A 37 -26.375 6.058 8.561 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -28.461 5.330 8.069 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -28.755 6.750 7.085 1.00 0.00 H new ATOM 631 N PHE A 38 -26.710 4.406 5.970 1.00 0.00 N ATOM 632 CA PHE A 38 -26.350 3.554 4.825 1.00 0.00 C ATOM 633 C PHE A 38 -27.224 2.279 4.802 1.00 0.00 C ATOM 634 O PHE A 38 -27.072 1.406 5.663 1.00 0.00 O ATOM 635 CB PHE A 38 -24.835 3.204 4.907 1.00 0.00 C ATOM 636 CG PHE A 38 -24.320 2.185 3.886 1.00 0.00 C ATOM 637 CD1 PHE A 38 -24.481 2.387 2.513 1.00 0.00 C ATOM 638 CD2 PHE A 38 -23.674 1.022 4.305 1.00 0.00 C ATOM 639 CE1 PHE A 38 -24.014 1.459 1.601 1.00 0.00 C ATOM 640 CE2 PHE A 38 -23.210 0.104 3.393 1.00 0.00 C ATOM 641 CZ PHE A 38 -23.379 0.318 2.042 1.00 0.00 C ATOM 0 H PHE A 38 -26.017 4.397 6.718 1.00 0.00 H new ATOM 0 HA PHE A 38 -26.536 4.091 3.895 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -24.264 4.125 4.790 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -24.625 2.824 5.907 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -24.976 3.279 2.160 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -23.536 0.840 5.361 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -24.147 1.628 0.543 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -22.710 -0.790 3.737 1.00 0.00 H new ATOM 0 HZ PHE A 38 -23.014 -0.407 1.330 1.00 0.00 H new ATOM 651 N ASP A 39 -28.149 2.204 3.823 1.00 0.00 N ATOM 652 CA ASP A 39 -28.971 1.008 3.564 1.00 0.00 C ATOM 653 C ASP A 39 -28.149 0.012 2.731 1.00 0.00 C ATOM 654 O ASP A 39 -28.127 0.086 1.489 1.00 0.00 O ATOM 655 CB ASP A 39 -30.293 1.364 2.822 1.00 0.00 C ATOM 656 CG ASP A 39 -31.234 2.275 3.630 1.00 0.00 C ATOM 657 OD1 ASP A 39 -31.655 1.874 4.733 1.00 0.00 O ATOM 658 OD2 ASP A 39 -31.569 3.384 3.165 1.00 0.00 O ATOM 0 H ASP A 39 -28.346 2.977 3.187 1.00 0.00 H new ATOM 0 HA ASP A 39 -29.247 0.564 4.520 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -30.049 1.854 1.880 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -30.819 0.442 2.575 1.00 0.00 H new ATOM 663 N GLY A 40 -27.419 -0.859 3.434 1.00 0.00 N ATOM 664 CA GLY A 40 -26.627 -1.904 2.804 1.00 0.00 C ATOM 665 C GLY A 40 -25.578 -2.479 3.744 1.00 0.00 C ATOM 666 O GLY A 40 -25.491 -2.083 4.920 1.00 0.00 O ATOM 0 H GLY A 40 -27.365 -0.855 4.453 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -27.287 -2.703 2.467 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -26.136 -1.501 1.918 1.00 0.00 H new ATOM 670 N GLU A 41 -24.781 -3.412 3.210 1.00 0.00 N ATOM 671 CA GLU A 41 -23.661 -4.045 3.919 1.00 0.00 C ATOM 672 C GLU A 41 -22.355 -3.297 3.586 1.00 0.00 C ATOM 673 O GLU A 41 -22.176 -2.814 2.458 1.00 0.00 O ATOM 674 CB GLU A 41 -23.561 -5.547 3.523 1.00 0.00 C ATOM 675 CG GLU A 41 -23.226 -5.803 2.040 1.00 0.00 C ATOM 676 CD GLU A 41 -23.361 -7.277 1.642 1.00 0.00 C ATOM 677 OE1 GLU A 41 -22.571 -8.106 2.134 1.00 0.00 O ATOM 678 OE2 GLU A 41 -24.262 -7.620 0.852 1.00 0.00 O ATOM 0 H GLU A 41 -24.898 -3.755 2.256 1.00 0.00 H new ATOM 0 HA GLU A 41 -23.829 -3.990 4.995 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -22.798 -6.021 4.140 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -24.508 -6.034 3.756 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -23.886 -5.202 1.415 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -22.207 -5.470 1.840 1.00 0.00 H new ATOM 685 N LEU A 42 -21.462 -3.188 4.587 1.00 0.00 N ATOM 686 CA LEU A 42 -20.125 -2.564 4.438 1.00 0.00 C ATOM 687 C LEU A 42 -19.256 -3.303 3.395 1.00 0.00 C ATOM 688 O LEU A 42 -18.303 -2.737 2.858 1.00 0.00 O ATOM 689 CB LEU A 42 -19.363 -2.523 5.790 1.00 0.00 C ATOM 690 CG LEU A 42 -19.102 -3.916 6.480 1.00 0.00 C ATOM 691 CD1 LEU A 42 -17.750 -3.940 7.220 1.00 0.00 C ATOM 692 CD2 LEU A 42 -20.246 -4.294 7.442 1.00 0.00 C ATOM 0 H LEU A 42 -21.645 -3.531 5.530 1.00 0.00 H new ATOM 0 HA LEU A 42 -20.302 -1.546 4.092 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -18.402 -2.035 5.628 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -19.926 -1.897 6.482 1.00 0.00 H new ATOM 0 HG LEU A 42 -19.066 -4.660 5.684 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -17.606 -4.916 7.683 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -16.944 -3.752 6.511 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -17.743 -3.169 7.990 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -20.032 -5.260 7.900 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -20.333 -3.535 8.220 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -21.183 -4.354 6.888 1.00 0.00 H new ATOM 704 N ALA A 43 -19.599 -4.573 3.139 1.00 0.00 N ATOM 705 CA ALA A 43 -18.958 -5.391 2.092 1.00 0.00 C ATOM 706 C ALA A 43 -19.190 -4.791 0.693 1.00 0.00 C ATOM 707 O ALA A 43 -18.340 -4.903 -0.194 1.00 0.00 O ATOM 708 CB ALA A 43 -19.498 -6.827 2.150 1.00 0.00 C ATOM 0 H ALA A 43 -20.330 -5.066 3.652 1.00 0.00 H new ATOM 0 HA ALA A 43 -17.884 -5.401 2.277 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -19.021 -7.427 1.375 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -19.281 -7.258 3.127 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -20.576 -6.817 1.989 1.00 0.00 H new ATOM 714 N ASP A 44 -20.355 -4.148 0.526 1.00 0.00 N ATOM 715 CA ASP A 44 -20.791 -3.538 -0.744 1.00 0.00 C ATOM 716 C ASP A 44 -20.740 -1.990 -0.641 1.00 0.00 C ATOM 717 O ASP A 44 -21.261 -1.270 -1.508 1.00 0.00 O ATOM 718 CB ASP A 44 -22.219 -4.064 -1.078 1.00 0.00 C ATOM 719 CG ASP A 44 -22.666 -3.796 -2.526 1.00 0.00 C ATOM 720 OD1 ASP A 44 -22.041 -4.346 -3.458 1.00 0.00 O ATOM 721 OD2 ASP A 44 -23.647 -3.051 -2.747 1.00 0.00 O ATOM 0 H ASP A 44 -21.033 -4.034 1.280 1.00 0.00 H new ATOM 0 HA ASP A 44 -20.121 -3.818 -1.557 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -22.251 -5.138 -0.892 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -22.933 -3.601 -0.397 1.00 0.00 H new ATOM 726 N LEU A 45 -20.073 -1.492 0.424 1.00 0.00 N ATOM 727 CA LEU A 45 -19.844 -0.053 0.644 1.00 0.00 C ATOM 728 C LEU A 45 -18.848 0.470 -0.417 1.00 0.00 C ATOM 729 O LEU A 45 -17.658 0.150 -0.358 1.00 0.00 O ATOM 730 CB LEU A 45 -19.285 0.177 2.079 1.00 0.00 C ATOM 731 CG LEU A 45 -19.088 1.653 2.527 1.00 0.00 C ATOM 732 CD1 LEU A 45 -20.419 2.431 2.570 1.00 0.00 C ATOM 733 CD2 LEU A 45 -18.364 1.708 3.885 1.00 0.00 C ATOM 0 H LEU A 45 -19.678 -2.082 1.156 1.00 0.00 H new ATOM 0 HA LEU A 45 -20.784 0.491 0.548 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -19.958 -0.306 2.787 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -18.324 -0.332 2.155 1.00 0.00 H new ATOM 0 HG LEU A 45 -18.464 2.144 1.780 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -20.231 3.456 2.888 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -20.870 2.436 1.578 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -21.098 1.951 3.275 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -18.233 2.747 4.186 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -18.957 1.185 4.635 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -17.388 1.230 3.797 1.00 0.00 H new ATOM 745 N THR A 46 -19.356 1.230 -1.406 1.00 0.00 N ATOM 746 CA THR A 46 -18.546 1.735 -2.536 1.00 0.00 C ATOM 747 C THR A 46 -17.586 2.852 -2.067 1.00 0.00 C ATOM 748 O THR A 46 -17.967 3.670 -1.215 1.00 0.00 O ATOM 749 CB THR A 46 -19.465 2.273 -3.684 1.00 0.00 C ATOM 750 OG1 THR A 46 -20.213 3.414 -3.232 1.00 0.00 O ATOM 751 CG2 THR A 46 -20.448 1.198 -4.186 1.00 0.00 C ATOM 0 H THR A 46 -20.336 1.511 -1.446 1.00 0.00 H new ATOM 0 HA THR A 46 -17.956 0.903 -2.920 1.00 0.00 H new ATOM 0 HB THR A 46 -18.812 2.556 -4.509 1.00 0.00 H new ATOM 0 HG1 THR A 46 -20.782 3.741 -3.960 1.00 0.00 H new ATOM 0 HG21 THR A 46 -21.066 1.613 -4.982 1.00 0.00 H new ATOM 0 HG22 THR A 46 -19.889 0.344 -4.569 1.00 0.00 H new ATOM 0 HG23 THR A 46 -21.085 0.875 -3.363 1.00 0.00 H new ATOM 759 N ASP A 47 -16.360 2.886 -2.638 1.00 0.00 N ATOM 760 CA ASP A 47 -15.304 3.872 -2.275 1.00 0.00 C ATOM 761 C ASP A 47 -15.786 5.331 -2.441 1.00 0.00 C ATOM 762 O ASP A 47 -15.360 6.218 -1.699 1.00 0.00 O ATOM 763 CB ASP A 47 -14.017 3.628 -3.108 1.00 0.00 C ATOM 764 CG ASP A 47 -14.236 3.739 -4.628 1.00 0.00 C ATOM 765 OD1 ASP A 47 -14.613 2.724 -5.258 1.00 0.00 O ATOM 766 OD2 ASP A 47 -14.064 4.836 -5.197 1.00 0.00 O ATOM 0 H ASP A 47 -16.070 2.232 -3.365 1.00 0.00 H new ATOM 0 HA ASP A 47 -15.076 3.723 -1.220 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -13.257 4.348 -2.805 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.627 2.637 -2.877 1.00 0.00 H new ATOM 771 N ASP A 48 -16.701 5.538 -3.404 1.00 0.00 N ATOM 772 CA ASP A 48 -17.338 6.849 -3.680 1.00 0.00 C ATOM 773 C ASP A 48 -17.971 7.457 -2.405 1.00 0.00 C ATOM 774 O ASP A 48 -17.853 8.665 -2.157 1.00 0.00 O ATOM 775 CB ASP A 48 -18.417 6.678 -4.784 1.00 0.00 C ATOM 776 CG ASP A 48 -19.130 7.997 -5.168 1.00 0.00 C ATOM 777 OD1 ASP A 48 -18.576 8.773 -5.975 1.00 0.00 O ATOM 778 OD2 ASP A 48 -20.256 8.252 -4.677 1.00 0.00 O ATOM 0 H ASP A 48 -17.026 4.795 -4.022 1.00 0.00 H new ATOM 0 HA ASP A 48 -16.566 7.538 -4.022 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -17.950 6.256 -5.674 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -19.162 5.959 -4.443 1.00 0.00 H new ATOM 783 N ILE A 49 -18.617 6.593 -1.603 1.00 0.00 N ATOM 784 CA ILE A 49 -19.267 6.982 -0.336 1.00 0.00 C ATOM 785 C ILE A 49 -18.223 7.463 0.688 1.00 0.00 C ATOM 786 O ILE A 49 -18.423 8.484 1.355 1.00 0.00 O ATOM 787 CB ILE A 49 -20.097 5.780 0.266 1.00 0.00 C ATOM 788 CG1 ILE A 49 -21.228 5.347 -0.729 1.00 0.00 C ATOM 789 CG2 ILE A 49 -20.675 6.115 1.668 1.00 0.00 C ATOM 790 CD1 ILE A 49 -22.027 4.118 -0.313 1.00 0.00 C ATOM 0 H ILE A 49 -18.704 5.599 -1.815 1.00 0.00 H new ATOM 0 HA ILE A 49 -19.951 7.803 -0.553 1.00 0.00 H new ATOM 0 HB ILE A 49 -19.415 4.940 0.402 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -21.917 6.182 -0.855 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -20.778 5.155 -1.703 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -21.238 5.260 2.043 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -19.858 6.341 2.354 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -21.335 6.979 1.592 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -22.783 3.903 -1.068 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -21.357 3.264 -0.217 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -22.513 4.307 0.644 1.00 0.00 H new ATOM 802 N LEU A 50 -17.105 6.720 0.792 1.00 0.00 N ATOM 803 CA LEU A 50 -16.053 7.005 1.783 1.00 0.00 C ATOM 804 C LEU A 50 -15.394 8.356 1.517 1.00 0.00 C ATOM 805 O LEU A 50 -15.285 9.183 2.425 1.00 0.00 O ATOM 806 CB LEU A 50 -14.973 5.883 1.829 1.00 0.00 C ATOM 807 CG LEU A 50 -15.432 4.503 2.390 1.00 0.00 C ATOM 808 CD1 LEU A 50 -16.350 4.684 3.602 1.00 0.00 C ATOM 809 CD2 LEU A 50 -16.089 3.617 1.322 1.00 0.00 C ATOM 0 H LEU A 50 -16.908 5.914 0.198 1.00 0.00 H new ATOM 0 HA LEU A 50 -16.542 7.039 2.756 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -14.594 5.732 0.818 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -14.138 6.237 2.433 1.00 0.00 H new ATOM 0 HG LEU A 50 -14.532 3.980 2.714 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -16.657 3.707 3.975 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -15.816 5.221 4.386 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -17.232 5.254 3.309 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -16.388 2.669 1.769 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -16.967 4.122 0.920 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -15.378 3.430 0.517 1.00 0.00 H new ATOM 821 N ILE A 51 -14.984 8.583 0.266 1.00 0.00 N ATOM 822 CA ILE A 51 -14.321 9.831 -0.119 1.00 0.00 C ATOM 823 C ILE A 51 -15.258 11.010 0.167 1.00 0.00 C ATOM 824 O ILE A 51 -14.933 11.813 1.014 1.00 0.00 O ATOM 825 CB ILE A 51 -13.788 9.806 -1.614 1.00 0.00 C ATOM 826 CG1 ILE A 51 -12.463 8.964 -1.721 1.00 0.00 C ATOM 827 CG2 ILE A 51 -13.545 11.233 -2.173 1.00 0.00 C ATOM 828 CD1 ILE A 51 -12.535 7.542 -1.198 1.00 0.00 C ATOM 0 H ILE A 51 -15.100 7.917 -0.498 1.00 0.00 H new ATOM 0 HA ILE A 51 -13.424 9.953 0.488 1.00 0.00 H new ATOM 0 HB ILE A 51 -14.566 9.336 -2.216 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -12.161 8.930 -2.768 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -11.677 9.490 -1.179 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -13.181 11.165 -3.198 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -14.479 11.794 -2.156 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -12.804 11.743 -1.558 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -11.566 7.059 -1.323 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -12.800 7.556 -0.141 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -13.291 6.988 -1.754 1.00 0.00 H new ATOM 840 N TYR A 52 -16.452 11.011 -0.450 1.00 0.00 N ATOM 841 CA TYR A 52 -17.499 12.046 -0.239 1.00 0.00 C ATOM 842 C TYR A 52 -17.739 12.378 1.266 1.00 0.00 C ATOM 843 O TYR A 52 -17.625 13.542 1.677 1.00 0.00 O ATOM 844 CB TYR A 52 -18.833 11.581 -0.895 1.00 0.00 C ATOM 845 CG TYR A 52 -20.040 12.492 -0.606 1.00 0.00 C ATOM 846 CD1 TYR A 52 -20.201 13.711 -1.266 1.00 0.00 C ATOM 847 CD2 TYR A 52 -21.022 12.133 0.332 1.00 0.00 C ATOM 848 CE1 TYR A 52 -21.276 14.539 -0.996 1.00 0.00 C ATOM 849 CE2 TYR A 52 -22.099 12.958 0.597 1.00 0.00 C ATOM 850 CZ TYR A 52 -22.223 14.156 -0.072 1.00 0.00 C ATOM 851 OH TYR A 52 -23.288 14.988 0.210 1.00 0.00 O ATOM 0 H TYR A 52 -16.728 10.290 -1.117 1.00 0.00 H new ATOM 0 HA TYR A 52 -17.140 12.961 -0.710 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -18.690 11.520 -1.974 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -19.063 10.574 -0.546 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -19.472 14.014 -2.003 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -20.934 11.193 0.857 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -21.373 15.484 -1.509 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -22.840 12.665 1.326 1.00 0.00 H new ATOM 0 HH TYR A 52 -23.119 15.462 1.051 1.00 0.00 H new ATOM 861 N HIS A 53 -18.029 11.329 2.069 1.00 0.00 N ATOM 862 CA HIS A 53 -18.475 11.470 3.483 1.00 0.00 C ATOM 863 C HIS A 53 -17.395 12.132 4.350 1.00 0.00 C ATOM 864 O HIS A 53 -17.668 13.077 5.110 1.00 0.00 O ATOM 865 CB HIS A 53 -18.861 10.087 4.086 1.00 0.00 C ATOM 866 CG HIS A 53 -19.340 10.148 5.517 1.00 0.00 C ATOM 867 ND1 HIS A 53 -18.623 9.624 6.571 1.00 0.00 N ATOM 868 CD2 HIS A 53 -20.462 10.678 6.060 1.00 0.00 C ATOM 869 CE1 HIS A 53 -19.280 9.832 7.695 1.00 0.00 C ATOM 870 NE2 HIS A 53 -20.400 10.467 7.415 1.00 0.00 N ATOM 0 H HIS A 53 -17.962 10.359 1.760 1.00 0.00 H new ATOM 0 HA HIS A 53 -19.355 12.113 3.480 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -19.643 9.641 3.472 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -17.996 9.425 4.032 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -21.258 11.175 5.526 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -18.955 9.532 8.680 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -21.105 10.755 8.094 1.00 0.00 H new ATOM 879 N LEU A 54 -16.169 11.637 4.202 1.00 0.00 N ATOM 880 CA LEU A 54 -15.026 12.086 4.998 1.00 0.00 C ATOM 881 C LEU A 54 -14.487 13.415 4.462 1.00 0.00 C ATOM 882 O LEU A 54 -13.902 14.186 5.199 1.00 0.00 O ATOM 883 CB LEU A 54 -13.925 10.992 5.042 1.00 0.00 C ATOM 884 CG LEU A 54 -14.204 9.765 5.974 1.00 0.00 C ATOM 885 CD1 LEU A 54 -14.510 10.197 7.418 1.00 0.00 C ATOM 886 CD2 LEU A 54 -15.299 8.840 5.428 1.00 0.00 C ATOM 0 H LEU A 54 -15.938 10.910 3.525 1.00 0.00 H new ATOM 0 HA LEU A 54 -15.357 12.256 6.022 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -13.768 10.623 4.028 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -12.992 11.458 5.359 1.00 0.00 H new ATOM 0 HG LEU A 54 -13.281 9.185 5.989 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -14.697 9.315 8.030 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -13.659 10.745 7.822 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -15.391 10.838 7.427 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -15.449 8.008 6.116 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -16.230 9.398 5.326 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -14.998 8.456 4.453 1.00 0.00 H new ATOM 898 N LYS A 55 -14.714 13.679 3.177 1.00 0.00 N ATOM 899 CA LYS A 55 -14.244 14.892 2.505 1.00 0.00 C ATOM 900 C LYS A 55 -15.078 16.110 2.937 1.00 0.00 C ATOM 901 O LYS A 55 -14.610 17.236 2.844 1.00 0.00 O ATOM 902 CB LYS A 55 -14.330 14.664 0.989 1.00 0.00 C ATOM 903 CG LYS A 55 -13.432 15.533 0.111 1.00 0.00 C ATOM 904 CD LYS A 55 -13.330 14.965 -1.323 1.00 0.00 C ATOM 905 CE LYS A 55 -14.710 14.769 -1.986 1.00 0.00 C ATOM 906 NZ LYS A 55 -14.600 14.571 -3.455 1.00 0.00 N ATOM 0 H LYS A 55 -15.235 13.051 2.565 1.00 0.00 H new ATOM 0 HA LYS A 55 -13.211 15.100 2.783 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -14.093 13.619 0.788 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -15.363 14.822 0.680 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -13.827 16.548 0.075 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -12.437 15.594 0.552 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -12.730 15.639 -1.935 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.806 14.010 -1.294 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -15.207 13.907 -1.540 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -15.336 15.638 -1.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -15.549 14.443 -3.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -14.149 15.404 -3.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -14.024 13.727 -3.649 1.00 0.00 H new ATOM 920 N MET A 56 -16.331 15.864 3.382 1.00 0.00 N ATOM 921 CA MET A 56 -17.203 16.917 3.946 1.00 0.00 C ATOM 922 C MET A 56 -16.673 17.402 5.320 1.00 0.00 C ATOM 923 O MET A 56 -16.532 18.614 5.543 1.00 0.00 O ATOM 924 CB MET A 56 -18.680 16.422 4.072 1.00 0.00 C ATOM 925 CG MET A 56 -19.369 16.109 2.728 1.00 0.00 C ATOM 926 SD MET A 56 -21.126 15.707 2.908 1.00 0.00 S ATOM 927 CE MET A 56 -21.072 14.231 3.927 1.00 0.00 C ATOM 0 H MET A 56 -16.762 14.940 3.361 1.00 0.00 H new ATOM 0 HA MET A 56 -17.187 17.761 3.256 1.00 0.00 H new ATOM 0 HB2 MET A 56 -18.697 15.525 4.692 1.00 0.00 H new ATOM 0 HB3 MET A 56 -19.261 17.182 4.595 1.00 0.00 H new ATOM 0 HG2 MET A 56 -19.265 16.967 2.064 1.00 0.00 H new ATOM 0 HG3 MET A 56 -18.858 15.273 2.250 1.00 0.00 H new ATOM 0 HE1 MET A 56 -21.452 13.382 3.359 1.00 0.00 H new ATOM 0 HE2 MET A 56 -20.043 14.034 4.228 1.00 0.00 H new ATOM 0 HE3 MET A 56 -21.688 14.379 4.814 1.00 0.00 H new ATOM 937 N ARG A 57 -16.375 16.454 6.232 1.00 0.00 N ATOM 938 CA ARG A 57 -15.911 16.781 7.607 1.00 0.00 C ATOM 939 C ARG A 57 -14.431 17.222 7.620 1.00 0.00 C ATOM 940 O ARG A 57 -14.092 18.262 8.191 1.00 0.00 O ATOM 941 CB ARG A 57 -16.136 15.592 8.592 1.00 0.00 C ATOM 942 CG ARG A 57 -15.640 14.206 8.101 1.00 0.00 C ATOM 943 CD ARG A 57 -15.366 13.228 9.255 1.00 0.00 C ATOM 944 NE ARG A 57 -14.175 13.636 10.011 1.00 0.00 N ATOM 945 CZ ARG A 57 -14.053 13.700 11.338 1.00 0.00 C ATOM 946 NH1 ARG A 57 -15.061 13.392 12.135 1.00 0.00 N ATOM 947 NH2 ARG A 57 -12.897 14.068 11.852 1.00 0.00 N ATOM 0 H ARG A 57 -16.446 15.454 6.046 1.00 0.00 H new ATOM 0 HA ARG A 57 -16.516 17.620 7.950 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -15.636 15.824 9.532 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -17.202 15.520 8.808 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -16.386 13.774 7.434 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -14.729 14.337 7.518 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -16.229 13.191 9.919 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -15.225 12.222 8.860 1.00 0.00 H new ATOM 0 HE ARG A 57 -13.355 13.898 9.464 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -15.954 13.099 11.738 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -14.946 13.448 13.147 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.116 14.298 11.238 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.783 14.123 12.864 1.00 0.00 H new ATOM 961 N ASP A 58 -13.572 16.455 6.943 1.00 0.00 N ATOM 962 CA ASP A 58 -12.106 16.668 6.925 1.00 0.00 C ATOM 963 C ASP A 58 -11.688 17.693 5.845 1.00 0.00 C ATOM 964 O ASP A 58 -10.505 17.806 5.510 1.00 0.00 O ATOM 965 CB ASP A 58 -11.374 15.311 6.726 1.00 0.00 C ATOM 966 CG ASP A 58 -11.724 14.265 7.815 1.00 0.00 C ATOM 967 OD1 ASP A 58 -11.510 14.551 9.017 1.00 0.00 O ATOM 968 OD2 ASP A 58 -12.235 13.167 7.487 1.00 0.00 O ATOM 0 H ASP A 58 -13.870 15.657 6.382 1.00 0.00 H new ATOM 0 HA ASP A 58 -11.812 17.086 7.888 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.631 14.907 5.747 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.298 15.482 6.728 1.00 0.00 H new ATOM 973 N SER A 59 -12.672 18.473 5.335 1.00 0.00 N ATOM 974 CA SER A 59 -12.438 19.572 4.371 1.00 0.00 C ATOM 975 C SER A 59 -11.686 20.763 5.022 1.00 0.00 C ATOM 976 O SER A 59 -11.324 21.721 4.334 1.00 0.00 O ATOM 977 CB SER A 59 -13.796 20.052 3.801 1.00 0.00 C ATOM 978 OG SER A 59 -13.631 20.912 2.684 1.00 0.00 O ATOM 0 H SER A 59 -13.654 18.355 5.583 1.00 0.00 H new ATOM 0 HA SER A 59 -11.809 19.189 3.567 1.00 0.00 H new ATOM 0 HB2 SER A 59 -14.392 19.188 3.508 1.00 0.00 H new ATOM 0 HB3 SER A 59 -14.352 20.573 4.580 1.00 0.00 H new ATOM 0 HG SER A 59 -12.898 21.538 2.859 1.00 0.00 H new ATOM 984 N ALA A 60 -11.487 20.694 6.356 1.00 0.00 N ATOM 985 CA ALA A 60 -10.744 21.706 7.132 1.00 0.00 C ATOM 986 C ALA A 60 -9.291 21.857 6.627 1.00 0.00 C ATOM 987 O ALA A 60 -8.667 20.871 6.222 1.00 0.00 O ATOM 988 CB ALA A 60 -10.769 21.331 8.628 1.00 0.00 C ATOM 0 H ALA A 60 -11.841 19.927 6.928 1.00 0.00 H new ATOM 0 HA ALA A 60 -11.232 22.671 6.996 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -10.220 22.079 9.200 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -11.801 21.293 8.976 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -10.304 20.355 8.766 1.00 0.00 H new ATOM 994 N LYS A 61 -8.779 23.103 6.659 1.00 0.00 N ATOM 995 CA LYS A 61 -7.427 23.443 6.185 1.00 0.00 C ATOM 996 C LYS A 61 -6.346 22.741 7.030 1.00 0.00 C ATOM 997 O LYS A 61 -6.042 23.172 8.153 1.00 0.00 O ATOM 998 CB LYS A 61 -7.222 24.981 6.213 1.00 0.00 C ATOM 999 CG LYS A 61 -8.021 25.765 5.154 1.00 0.00 C ATOM 1000 CD LYS A 61 -7.629 25.370 3.709 1.00 0.00 C ATOM 1001 CE LYS A 61 -8.092 26.397 2.670 1.00 0.00 C ATOM 1002 NZ LYS A 61 -7.473 27.731 2.901 1.00 0.00 N ATOM 0 H LYS A 61 -9.297 23.905 7.017 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.329 23.091 5.158 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.497 25.351 7.201 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.162 25.193 6.077 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -9.086 25.587 5.301 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.855 26.833 5.294 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.546 25.260 3.648 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.062 24.398 3.472 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.836 26.045 1.671 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.178 26.488 2.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.509 28.287 2.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.995 28.231 3.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.482 27.608 3.193 1.00 0.00 H new ATOM 1016 N ASP A 62 -5.798 21.645 6.475 1.00 0.00 N ATOM 1017 CA ASP A 62 -4.748 20.841 7.115 1.00 0.00 C ATOM 1018 C ASP A 62 -4.030 20.016 6.031 1.00 0.00 C ATOM 1019 O ASP A 62 -4.503 18.941 5.636 1.00 0.00 O ATOM 1020 CB ASP A 62 -5.351 19.922 8.213 1.00 0.00 C ATOM 1021 CG ASP A 62 -4.279 19.163 9.024 1.00 0.00 C ATOM 1022 OD1 ASP A 62 -3.694 19.766 9.955 1.00 0.00 O ATOM 1023 OD2 ASP A 62 -4.034 17.967 8.758 1.00 0.00 O ATOM 0 H ASP A 62 -6.077 21.291 5.560 1.00 0.00 H new ATOM 0 HA ASP A 62 -4.028 21.497 7.605 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.953 20.525 8.893 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.023 19.201 7.747 1.00 0.00 H new ATOM 1028 N ALA A 63 -2.911 20.559 5.526 1.00 0.00 N ATOM 1029 CA ALA A 63 -2.130 19.947 4.439 1.00 0.00 C ATOM 1030 C ALA A 63 -0.641 20.287 4.613 1.00 0.00 C ATOM 1031 O ALA A 63 -0.273 21.469 4.682 1.00 0.00 O ATOM 1032 CB ALA A 63 -2.650 20.433 3.066 1.00 0.00 C ATOM 0 H ALA A 63 -2.521 21.439 5.862 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.246 18.864 4.480 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.063 19.973 2.271 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -3.697 20.152 2.953 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.556 21.517 3.005 1.00 0.00 H new ATOM 1038 N VAL A 64 0.211 19.246 4.687 1.00 0.00 N ATOM 1039 CA VAL A 64 1.668 19.400 4.823 1.00 0.00 C ATOM 1040 C VAL A 64 2.290 19.394 3.415 1.00 0.00 C ATOM 1041 O VAL A 64 2.792 18.375 2.921 1.00 0.00 O ATOM 1042 CB VAL A 64 2.298 18.281 5.753 1.00 0.00 C ATOM 1043 CG1 VAL A 64 3.826 18.483 5.942 1.00 0.00 C ATOM 1044 CG2 VAL A 64 1.567 18.228 7.124 1.00 0.00 C ATOM 0 H VAL A 64 -0.095 18.274 4.654 1.00 0.00 H new ATOM 0 HA VAL A 64 1.888 20.349 5.313 1.00 0.00 H new ATOM 0 HB VAL A 64 2.159 17.322 5.254 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.220 17.696 6.585 1.00 0.00 H new ATOM 0 HG12 VAL A 64 4.321 18.441 4.972 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.011 19.454 6.402 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.016 17.453 7.746 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.659 19.193 7.623 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.513 18.001 6.966 1.00 0.00 H new ATOM 1054 N ILE A 65 2.137 20.537 2.739 1.00 0.00 N ATOM 1055 CA ILE A 65 2.717 20.792 1.409 1.00 0.00 C ATOM 1056 C ILE A 65 3.839 21.852 1.555 1.00 0.00 C ATOM 1057 O ILE A 65 3.544 23.056 1.644 1.00 0.00 O ATOM 1058 CB ILE A 65 1.611 21.271 0.388 1.00 0.00 C ATOM 1059 CG1 ILE A 65 0.457 20.210 0.291 1.00 0.00 C ATOM 1060 CG2 ILE A 65 2.229 21.556 -1.007 1.00 0.00 C ATOM 1061 CD1 ILE A 65 -0.701 20.605 -0.611 1.00 0.00 C ATOM 0 H ILE A 65 1.600 21.324 3.102 1.00 0.00 H new ATOM 0 HA ILE A 65 3.137 19.868 1.011 1.00 0.00 H new ATOM 0 HB ILE A 65 1.184 22.204 0.757 1.00 0.00 H new ATOM 0 HG12 ILE A 65 0.876 19.271 -0.070 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.071 20.022 1.293 1.00 0.00 H new ATOM 0 HG21 ILE A 65 1.447 21.884 -1.691 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.984 22.337 -0.918 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.691 20.647 -1.393 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.447 19.811 -0.614 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.153 21.526 -0.241 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -0.335 20.763 -1.625 1.00 0.00 H new ATOM 1073 N PRO A 66 5.141 21.419 1.656 1.00 0.00 N ATOM 1074 CA PRO A 66 6.283 22.350 1.784 1.00 0.00 C ATOM 1075 C PRO A 66 6.738 22.906 0.411 1.00 0.00 C ATOM 1076 O PRO A 66 6.748 22.186 -0.599 1.00 0.00 O ATOM 1077 CB PRO A 66 7.365 21.471 2.450 1.00 0.00 C ATOM 1078 CG PRO A 66 7.089 20.078 1.961 1.00 0.00 C ATOM 1079 CD PRO A 66 5.595 19.999 1.676 1.00 0.00 C ATOM 0 HA PRO A 66 6.047 23.244 2.361 1.00 0.00 H new ATOM 0 HB2 PRO A 66 8.366 21.797 2.169 1.00 0.00 H new ATOM 0 HB3 PRO A 66 7.305 21.527 3.537 1.00 0.00 H new ATOM 0 HG2 PRO A 66 7.666 19.863 1.062 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.379 19.341 2.710 1.00 0.00 H new ATOM 0 HD2 PRO A 66 5.398 19.506 0.724 1.00 0.00 H new ATOM 0 HD3 PRO A 66 5.074 19.427 2.444 1.00 0.00 H new ATOM 1087 N GLY A 67 7.101 24.202 0.397 1.00 0.00 N ATOM 1088 CA GLY A 67 7.543 24.898 -0.816 1.00 0.00 C ATOM 1089 C GLY A 67 8.976 24.554 -1.222 1.00 0.00 C ATOM 1090 O GLY A 67 9.343 24.672 -2.400 1.00 0.00 O ATOM 0 H GLY A 67 7.095 24.792 1.229 1.00 0.00 H new ATOM 0 HA2 GLY A 67 6.870 24.647 -1.636 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.466 25.974 -0.658 1.00 0.00 H new ATOM 1094 N LEU A 68 9.795 24.149 -0.231 1.00 0.00 N ATOM 1095 CA LEU A 68 11.202 23.765 -0.441 1.00 0.00 C ATOM 1096 C LEU A 68 11.444 22.324 0.050 1.00 0.00 C ATOM 1097 O LEU A 68 11.706 22.102 1.236 1.00 0.00 O ATOM 1098 CB LEU A 68 12.153 24.757 0.296 1.00 0.00 C ATOM 1099 CG LEU A 68 12.146 26.238 -0.204 1.00 0.00 C ATOM 1100 CD1 LEU A 68 13.048 27.129 0.680 1.00 0.00 C ATOM 1101 CD2 LEU A 68 12.558 26.332 -1.695 1.00 0.00 C ATOM 0 H LEU A 68 9.496 24.079 0.742 1.00 0.00 H new ATOM 0 HA LEU A 68 11.417 23.809 -1.509 1.00 0.00 H new ATOM 0 HB2 LEU A 68 11.894 24.754 1.355 1.00 0.00 H new ATOM 0 HB3 LEU A 68 13.171 24.376 0.216 1.00 0.00 H new ATOM 0 HG LEU A 68 11.125 26.609 -0.120 1.00 0.00 H new ATOM 0 HD11 LEU A 68 13.024 28.153 0.309 1.00 0.00 H new ATOM 0 HD12 LEU A 68 12.686 27.107 1.708 1.00 0.00 H new ATOM 0 HD13 LEU A 68 14.072 26.756 0.648 1.00 0.00 H new ATOM 0 HD21 LEU A 68 12.543 27.375 -2.012 1.00 0.00 H new ATOM 0 HD22 LEU A 68 13.563 25.929 -1.821 1.00 0.00 H new ATOM 0 HD23 LEU A 68 11.858 25.758 -2.303 1.00 0.00 H new ATOM 1113 N GLN A 69 11.338 21.348 -0.866 1.00 0.00 N ATOM 1114 CA GLN A 69 11.644 19.934 -0.569 1.00 0.00 C ATOM 1115 C GLN A 69 12.078 19.208 -1.851 1.00 0.00 C ATOM 1116 O GLN A 69 13.183 18.647 -1.908 1.00 0.00 O ATOM 1117 CB GLN A 69 10.426 19.211 0.081 1.00 0.00 C ATOM 1118 CG GLN A 69 10.722 17.763 0.526 1.00 0.00 C ATOM 1119 CD GLN A 69 9.525 17.034 1.145 1.00 0.00 C ATOM 1120 OE1 GLN A 69 8.377 17.267 0.784 1.00 0.00 O ATOM 1121 NE2 GLN A 69 9.795 16.148 2.090 1.00 0.00 N ATOM 0 H GLN A 69 11.040 21.512 -1.828 1.00 0.00 H new ATOM 0 HA GLN A 69 12.464 19.910 0.149 1.00 0.00 H new ATOM 0 HB2 GLN A 69 10.094 19.786 0.946 1.00 0.00 H new ATOM 0 HB3 GLN A 69 9.600 19.200 -0.631 1.00 0.00 H new ATOM 0 HG2 GLN A 69 11.072 17.195 -0.336 1.00 0.00 H new ATOM 0 HG3 GLN A 69 11.537 17.778 1.250 1.00 0.00 H new ATOM 0 HE21 GLN A 69 10.761 15.977 2.368 1.00 0.00 H new ATOM 0 HE22 GLN A 69 9.037 15.636 2.541 1.00 0.00 H new ATOM 1130 N LYS A 70 11.186 19.253 -2.872 1.00 0.00 N ATOM 1131 CA LYS A 70 11.325 18.534 -4.159 1.00 0.00 C ATOM 1132 C LYS A 70 11.269 17.006 -3.947 1.00 0.00 C ATOM 1133 O LYS A 70 12.231 16.401 -3.461 1.00 0.00 O ATOM 1134 CB LYS A 70 12.620 18.939 -4.936 1.00 0.00 C ATOM 1135 CG LYS A 70 12.671 20.418 -5.388 1.00 0.00 C ATOM 1136 CD LYS A 70 14.003 20.780 -6.086 1.00 0.00 C ATOM 1137 CE LYS A 70 14.025 22.226 -6.618 1.00 0.00 C ATOM 1138 NZ LYS A 70 12.978 22.455 -7.653 1.00 0.00 N ATOM 0 H LYS A 70 10.330 19.805 -2.820 1.00 0.00 H new ATOM 0 HA LYS A 70 10.478 18.832 -4.777 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.484 18.737 -4.303 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.713 18.302 -5.815 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.843 20.615 -6.069 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.532 21.064 -4.521 1.00 0.00 H new ATOM 0 HD2 LYS A 70 14.825 20.644 -5.383 1.00 0.00 H new ATOM 0 HD3 LYS A 70 14.173 20.091 -6.913 1.00 0.00 H new ATOM 0 HE2 LYS A 70 13.875 22.919 -5.790 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.006 22.442 -7.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 13.133 23.379 -8.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 13.031 21.705 -8.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.039 22.441 -7.206 1.00 0.00 H new ATOM 1152 N ASP A 71 10.114 16.398 -4.277 1.00 0.00 N ATOM 1153 CA ASP A 71 9.953 14.934 -4.304 1.00 0.00 C ATOM 1154 C ASP A 71 10.759 14.384 -5.490 1.00 0.00 C ATOM 1155 O ASP A 71 10.242 14.295 -6.608 1.00 0.00 O ATOM 1156 CB ASP A 71 8.450 14.543 -4.414 1.00 0.00 C ATOM 1157 CG ASP A 71 7.628 14.984 -3.195 1.00 0.00 C ATOM 1158 OD1 ASP A 71 7.275 16.178 -3.109 1.00 0.00 O ATOM 1159 OD2 ASP A 71 7.349 14.147 -2.305 1.00 0.00 O ATOM 0 H ASP A 71 9.268 16.908 -4.532 1.00 0.00 H new ATOM 0 HA ASP A 71 10.326 14.501 -3.376 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.028 14.992 -5.313 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.368 13.462 -4.529 1.00 0.00 H new ATOM 1164 N TYR A 72 12.050 14.087 -5.227 1.00 0.00 N ATOM 1165 CA TYR A 72 13.041 13.720 -6.257 1.00 0.00 C ATOM 1166 C TYR A 72 12.585 12.495 -7.059 1.00 0.00 C ATOM 1167 O TYR A 72 12.439 11.406 -6.506 1.00 0.00 O ATOM 1168 CB TYR A 72 14.419 13.459 -5.603 1.00 0.00 C ATOM 1169 CG TYR A 72 14.956 14.664 -4.823 1.00 0.00 C ATOM 1170 CD1 TYR A 72 15.394 15.811 -5.495 1.00 0.00 C ATOM 1171 CD2 TYR A 72 15.003 14.675 -3.424 1.00 0.00 C ATOM 1172 CE1 TYR A 72 15.855 16.912 -4.806 1.00 0.00 C ATOM 1173 CE2 TYR A 72 15.460 15.783 -2.735 1.00 0.00 C ATOM 1174 CZ TYR A 72 15.887 16.894 -3.431 1.00 0.00 C ATOM 1175 OH TYR A 72 16.329 18.003 -2.751 1.00 0.00 O ATOM 0 H TYR A 72 12.436 14.096 -4.283 1.00 0.00 H new ATOM 0 HA TYR A 72 13.132 14.555 -6.951 1.00 0.00 H new ATOM 0 HB2 TYR A 72 14.338 12.605 -4.930 1.00 0.00 H new ATOM 0 HB3 TYR A 72 15.136 13.187 -6.378 1.00 0.00 H new ATOM 0 HD1 TYR A 72 15.370 15.834 -6.575 1.00 0.00 H new ATOM 0 HD2 TYR A 72 14.677 13.804 -2.874 1.00 0.00 H new ATOM 0 HE1 TYR A 72 16.190 17.786 -5.344 1.00 0.00 H new ATOM 0 HE2 TYR A 72 15.482 15.778 -1.655 1.00 0.00 H new ATOM 0 HH TYR A 72 16.290 17.833 -1.787 1.00 0.00 H new ATOM 1185 N GLU A 73 12.327 12.721 -8.351 1.00 0.00 N ATOM 1186 CA GLU A 73 11.892 11.691 -9.295 1.00 0.00 C ATOM 1187 C GLU A 73 12.527 11.974 -10.668 1.00 0.00 C ATOM 1188 O GLU A 73 12.513 13.114 -11.147 1.00 0.00 O ATOM 1189 CB GLU A 73 10.337 11.669 -9.404 1.00 0.00 C ATOM 1190 CG GLU A 73 9.776 10.628 -10.398 1.00 0.00 C ATOM 1191 CD GLU A 73 8.253 10.737 -10.586 1.00 0.00 C ATOM 1192 OE1 GLU A 73 7.806 11.639 -11.327 1.00 0.00 O ATOM 1193 OE2 GLU A 73 7.497 9.940 -9.992 1.00 0.00 O ATOM 0 H GLU A 73 12.417 13.644 -8.777 1.00 0.00 H new ATOM 0 HA GLU A 73 12.214 10.712 -8.940 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.920 11.471 -8.417 1.00 0.00 H new ATOM 0 HB3 GLU A 73 9.993 12.659 -9.703 1.00 0.00 H new ATOM 0 HG2 GLU A 73 10.266 10.755 -11.363 1.00 0.00 H new ATOM 0 HG3 GLU A 73 10.022 9.627 -10.045 1.00 0.00 H new ATOM 1200 N GLU A 74 13.083 10.923 -11.281 1.00 0.00 N ATOM 1201 CA GLU A 74 13.694 10.971 -12.616 1.00 0.00 C ATOM 1202 C GLU A 74 13.281 9.733 -13.423 1.00 0.00 C ATOM 1203 O GLU A 74 12.525 8.882 -12.931 1.00 0.00 O ATOM 1204 CB GLU A 74 15.256 11.105 -12.494 1.00 0.00 C ATOM 1205 CG GLU A 74 15.971 10.112 -11.523 1.00 0.00 C ATOM 1206 CD GLU A 74 15.864 8.617 -11.904 1.00 0.00 C ATOM 1207 OE1 GLU A 74 16.339 8.231 -12.991 1.00 0.00 O ATOM 1208 OE2 GLU A 74 15.288 7.827 -11.129 1.00 0.00 O ATOM 0 H GLU A 74 13.122 9.997 -10.856 1.00 0.00 H new ATOM 0 HA GLU A 74 13.335 11.849 -13.152 1.00 0.00 H new ATOM 0 HB2 GLU A 74 15.687 10.979 -13.487 1.00 0.00 H new ATOM 0 HB3 GLU A 74 15.486 12.121 -12.173 1.00 0.00 H new ATOM 0 HG2 GLU A 74 17.026 10.381 -11.468 1.00 0.00 H new ATOM 0 HG3 GLU A 74 15.556 10.245 -10.524 1.00 0.00 H new ATOM 1215 N ASP A 75 13.804 9.635 -14.646 1.00 0.00 N ATOM 1216 CA ASP A 75 13.667 8.450 -15.486 1.00 0.00 C ATOM 1217 C ASP A 75 14.830 8.404 -16.476 1.00 0.00 C ATOM 1218 O ASP A 75 14.787 9.026 -17.547 1.00 0.00 O ATOM 1219 CB ASP A 75 12.303 8.419 -16.228 1.00 0.00 C ATOM 1220 CG ASP A 75 12.180 7.217 -17.190 1.00 0.00 C ATOM 1221 OD1 ASP A 75 12.129 6.066 -16.710 1.00 0.00 O ATOM 1222 OD2 ASP A 75 12.163 7.414 -18.424 1.00 0.00 O ATOM 0 H ASP A 75 14.340 10.385 -15.083 1.00 0.00 H new ATOM 0 HA ASP A 75 13.694 7.566 -14.848 1.00 0.00 H new ATOM 0 HB2 ASP A 75 11.496 8.379 -15.496 1.00 0.00 H new ATOM 0 HB3 ASP A 75 12.178 9.344 -16.790 1.00 0.00 H new ATOM 1227 N PHE A 76 15.906 7.733 -16.065 1.00 0.00 N ATOM 1228 CA PHE A 76 17.003 7.357 -16.969 1.00 0.00 C ATOM 1229 C PHE A 76 16.605 6.080 -17.743 1.00 0.00 C ATOM 1230 O PHE A 76 17.034 5.886 -18.874 1.00 0.00 O ATOM 1231 CB PHE A 76 18.332 7.115 -16.178 1.00 0.00 C ATOM 1232 CG PHE A 76 18.774 8.246 -15.237 1.00 0.00 C ATOM 1233 CD1 PHE A 76 18.521 9.589 -15.535 1.00 0.00 C ATOM 1234 CD2 PHE A 76 19.431 7.957 -14.037 1.00 0.00 C ATOM 1235 CE1 PHE A 76 18.913 10.595 -14.669 1.00 0.00 C ATOM 1236 CE2 PHE A 76 19.819 8.965 -13.172 1.00 0.00 C ATOM 1237 CZ PHE A 76 19.557 10.282 -13.487 1.00 0.00 C ATOM 0 H PHE A 76 16.046 7.434 -15.100 1.00 0.00 H new ATOM 0 HA PHE A 76 17.177 8.175 -17.668 1.00 0.00 H new ATOM 0 HB2 PHE A 76 18.220 6.204 -15.590 1.00 0.00 H new ATOM 0 HB3 PHE A 76 19.131 6.935 -16.897 1.00 0.00 H new ATOM 0 HD1 PHE A 76 18.013 9.844 -16.453 1.00 0.00 H new ATOM 0 HD2 PHE A 76 19.639 6.929 -13.781 1.00 0.00 H new ATOM 0 HE1 PHE A 76 18.715 11.627 -14.918 1.00 0.00 H new ATOM 0 HE2 PHE A 76 20.327 8.721 -12.251 1.00 0.00 H new ATOM 0 HZ PHE A 76 19.855 11.069 -12.810 1.00 0.00 H new ATOM 1247 N LYS A 77 15.732 5.257 -17.116 1.00 0.00 N ATOM 1248 CA LYS A 77 15.433 3.875 -17.547 1.00 0.00 C ATOM 1249 C LYS A 77 14.723 3.812 -18.918 1.00 0.00 C ATOM 1250 O LYS A 77 15.255 3.231 -19.878 1.00 0.00 O ATOM 1251 CB LYS A 77 14.555 3.186 -16.465 1.00 0.00 C ATOM 1252 CG LYS A 77 14.166 1.723 -16.790 1.00 0.00 C ATOM 1253 CD LYS A 77 13.242 1.084 -15.727 1.00 0.00 C ATOM 1254 CE LYS A 77 12.967 -0.407 -16.005 1.00 0.00 C ATOM 1255 NZ LYS A 77 12.405 -0.645 -17.368 1.00 0.00 N ATOM 0 H LYS A 77 15.210 5.540 -16.286 1.00 0.00 H new ATOM 0 HA LYS A 77 16.383 3.354 -17.663 1.00 0.00 H new ATOM 0 HB2 LYS A 77 15.090 3.204 -15.516 1.00 0.00 H new ATOM 0 HB3 LYS A 77 13.644 3.769 -16.329 1.00 0.00 H new ATOM 0 HG2 LYS A 77 13.668 1.694 -17.759 1.00 0.00 H new ATOM 0 HG3 LYS A 77 15.073 1.125 -16.880 1.00 0.00 H new ATOM 0 HD2 LYS A 77 13.699 1.189 -14.743 1.00 0.00 H new ATOM 0 HD3 LYS A 77 12.297 1.626 -15.699 1.00 0.00 H new ATOM 0 HE2 LYS A 77 13.894 -0.970 -15.895 1.00 0.00 H new ATOM 0 HE3 LYS A 77 12.272 -0.789 -15.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 12.176 -1.653 -17.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 11.542 -0.078 -17.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 13.106 -0.369 -18.085 1.00 0.00 H new ATOM 1269 N THR A 78 13.521 4.410 -19.004 1.00 0.00 N ATOM 1270 CA THR A 78 12.700 4.357 -20.229 1.00 0.00 C ATOM 1271 C THR A 78 13.293 5.277 -21.306 1.00 0.00 C ATOM 1272 O THR A 78 13.248 4.956 -22.494 1.00 0.00 O ATOM 1273 CB THR A 78 11.208 4.714 -19.951 1.00 0.00 C ATOM 1274 OG1 THR A 78 10.716 3.879 -18.890 1.00 0.00 O ATOM 1275 CG2 THR A 78 10.308 4.549 -21.198 1.00 0.00 C ATOM 0 H THR A 78 13.096 4.936 -18.240 1.00 0.00 H new ATOM 0 HA THR A 78 12.717 3.330 -20.594 1.00 0.00 H new ATOM 0 HB THR A 78 11.170 5.766 -19.668 1.00 0.00 H new ATOM 0 HG1 THR A 78 9.778 4.099 -18.708 1.00 0.00 H new ATOM 0 HG21 THR A 78 9.281 4.812 -20.943 1.00 0.00 H new ATOM 0 HG22 THR A 78 10.664 5.205 -21.993 1.00 0.00 H new ATOM 0 HG23 THR A 78 10.344 3.514 -21.538 1.00 0.00 H new ATOM 1283 N ALA A 79 13.891 6.397 -20.859 1.00 0.00 N ATOM 1284 CA ALA A 79 14.642 7.317 -21.733 1.00 0.00 C ATOM 1285 C ALA A 79 15.799 6.585 -22.455 1.00 0.00 C ATOM 1286 O ALA A 79 16.110 6.889 -23.607 1.00 0.00 O ATOM 1287 CB ALA A 79 15.182 8.489 -20.900 1.00 0.00 C ATOM 0 H ALA A 79 13.867 6.689 -19.882 1.00 0.00 H new ATOM 0 HA ALA A 79 13.967 7.699 -22.499 1.00 0.00 H new ATOM 0 HB1 ALA A 79 15.737 9.169 -21.546 1.00 0.00 H new ATOM 0 HB2 ALA A 79 14.350 9.023 -20.441 1.00 0.00 H new ATOM 0 HB3 ALA A 79 15.843 8.108 -20.121 1.00 0.00 H new ATOM 1293 N LEU A 80 16.404 5.599 -21.760 1.00 0.00 N ATOM 1294 CA LEU A 80 17.542 4.814 -22.274 1.00 0.00 C ATOM 1295 C LEU A 80 17.067 3.862 -23.394 1.00 0.00 C ATOM 1296 O LEU A 80 17.559 3.936 -24.525 1.00 0.00 O ATOM 1297 CB LEU A 80 18.227 4.042 -21.090 1.00 0.00 C ATOM 1298 CG LEU A 80 19.684 3.487 -21.293 1.00 0.00 C ATOM 1299 CD1 LEU A 80 19.728 2.225 -22.179 1.00 0.00 C ATOM 1300 CD2 LEU A 80 20.625 4.585 -21.827 1.00 0.00 C ATOM 0 H LEU A 80 16.114 5.325 -20.821 1.00 0.00 H new ATOM 0 HA LEU A 80 18.286 5.480 -22.711 1.00 0.00 H new ATOM 0 HB2 LEU A 80 18.244 4.708 -20.227 1.00 0.00 H new ATOM 0 HB3 LEU A 80 17.586 3.200 -20.830 1.00 0.00 H new ATOM 0 HG LEU A 80 20.041 3.180 -20.310 1.00 0.00 H new ATOM 0 HD11 LEU A 80 20.760 1.889 -22.283 1.00 0.00 H new ATOM 0 HD12 LEU A 80 19.134 1.436 -21.718 1.00 0.00 H new ATOM 0 HD13 LEU A 80 19.322 2.457 -23.163 1.00 0.00 H new ATOM 0 HD21 LEU A 80 21.626 4.174 -21.958 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.253 4.948 -22.785 1.00 0.00 H new ATOM 0 HD23 LEU A 80 20.662 5.410 -21.116 1.00 0.00 H new ATOM 1312 N LEU A 81 16.094 2.984 -23.071 1.00 0.00 N ATOM 1313 CA LEU A 81 15.586 1.964 -24.026 1.00 0.00 C ATOM 1314 C LEU A 81 14.892 2.604 -25.254 1.00 0.00 C ATOM 1315 O LEU A 81 14.838 1.998 -26.328 1.00 0.00 O ATOM 1316 CB LEU A 81 14.660 0.936 -23.290 1.00 0.00 C ATOM 1317 CG LEU A 81 13.426 1.495 -22.480 1.00 0.00 C ATOM 1318 CD1 LEU A 81 12.204 1.834 -23.369 1.00 0.00 C ATOM 1319 CD2 LEU A 81 13.013 0.536 -21.336 1.00 0.00 C ATOM 0 H LEU A 81 15.642 2.957 -22.157 1.00 0.00 H new ATOM 0 HA LEU A 81 16.444 1.419 -24.419 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.281 0.236 -24.035 1.00 0.00 H new ATOM 0 HB3 LEU A 81 15.280 0.363 -22.600 1.00 0.00 H new ATOM 0 HG LEU A 81 13.767 2.435 -22.046 1.00 0.00 H new ATOM 0 HD11 LEU A 81 11.394 2.213 -22.745 1.00 0.00 H new ATOM 0 HD12 LEU A 81 12.485 2.593 -24.099 1.00 0.00 H new ATOM 0 HD13 LEU A 81 11.872 0.935 -23.889 1.00 0.00 H new ATOM 0 HD21 LEU A 81 12.161 0.954 -20.801 1.00 0.00 H new ATOM 0 HD22 LEU A 81 12.739 -0.433 -21.754 1.00 0.00 H new ATOM 0 HD23 LEU A 81 13.848 0.411 -20.647 1.00 0.00 H new ATOM 1331 N ARG A 82 14.387 3.836 -25.071 1.00 0.00 N ATOM 1332 CA ARG A 82 13.702 4.614 -26.124 1.00 0.00 C ATOM 1333 C ARG A 82 14.733 5.335 -27.020 1.00 0.00 C ATOM 1334 O ARG A 82 14.495 5.548 -28.217 1.00 0.00 O ATOM 1335 CB ARG A 82 12.726 5.613 -25.454 1.00 0.00 C ATOM 1336 CG ARG A 82 11.874 6.484 -26.400 1.00 0.00 C ATOM 1337 CD ARG A 82 10.795 7.273 -25.631 1.00 0.00 C ATOM 1338 NE ARG A 82 9.772 6.376 -25.051 1.00 0.00 N ATOM 1339 CZ ARG A 82 9.043 6.623 -23.953 1.00 0.00 C ATOM 1340 NH1 ARG A 82 9.256 7.704 -23.214 1.00 0.00 N ATOM 1341 NH2 ARG A 82 8.106 5.764 -23.585 1.00 0.00 N ATOM 0 H ARG A 82 14.442 4.327 -24.179 1.00 0.00 H new ATOM 0 HA ARG A 82 13.130 3.946 -26.769 1.00 0.00 H new ATOM 0 HB2 ARG A 82 12.051 5.050 -24.809 1.00 0.00 H new ATOM 0 HB3 ARG A 82 13.305 6.275 -24.810 1.00 0.00 H new ATOM 0 HG2 ARG A 82 12.520 7.179 -26.936 1.00 0.00 H new ATOM 0 HG3 ARG A 82 11.398 5.850 -27.148 1.00 0.00 H new ATOM 0 HD2 ARG A 82 11.265 7.852 -24.836 1.00 0.00 H new ATOM 0 HD3 ARG A 82 10.316 7.985 -26.303 1.00 0.00 H new ATOM 0 HE ARG A 82 9.606 5.490 -25.529 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.986 8.366 -23.477 1.00 0.00 H new ATOM 0 HH12 ARG A 82 8.690 7.873 -22.382 1.00 0.00 H new ATOM 0 HH21 ARG A 82 7.942 4.921 -24.135 1.00 0.00 H new ATOM 0 HH22 ARG A 82 7.547 5.945 -22.751 1.00 0.00 H new ATOM 1355 N ALA A 83 15.885 5.699 -26.426 1.00 0.00 N ATOM 1356 CA ALA A 83 17.033 6.262 -27.168 1.00 0.00 C ATOM 1357 C ALA A 83 17.782 5.165 -27.947 1.00 0.00 C ATOM 1358 O ALA A 83 18.535 5.457 -28.887 1.00 0.00 O ATOM 1359 CB ALA A 83 17.987 6.969 -26.202 1.00 0.00 C ATOM 0 H ALA A 83 16.048 5.612 -25.423 1.00 0.00 H new ATOM 0 HA ALA A 83 16.651 6.986 -27.887 1.00 0.00 H new ATOM 0 HB1 ALA A 83 18.829 7.380 -26.758 1.00 0.00 H new ATOM 0 HB2 ALA A 83 17.459 7.776 -25.694 1.00 0.00 H new ATOM 0 HB3 ALA A 83 18.353 6.255 -25.465 1.00 0.00 H new ATOM 1365 N ARG A 84 17.581 3.910 -27.521 1.00 0.00 N ATOM 1366 CA ARG A 84 18.189 2.728 -28.145 1.00 0.00 C ATOM 1367 C ARG A 84 17.419 2.375 -29.431 1.00 0.00 C ATOM 1368 O ARG A 84 16.194 2.229 -29.397 1.00 0.00 O ATOM 1369 CB ARG A 84 18.172 1.541 -27.144 1.00 0.00 C ATOM 1370 CG ARG A 84 19.025 0.333 -27.578 1.00 0.00 C ATOM 1371 CD ARG A 84 19.025 -0.799 -26.537 1.00 0.00 C ATOM 1372 NE ARG A 84 20.074 -1.804 -26.804 1.00 0.00 N ATOM 1373 CZ ARG A 84 20.337 -2.866 -26.025 1.00 0.00 C ATOM 1374 NH1 ARG A 84 19.566 -3.167 -24.985 1.00 0.00 N ATOM 1375 NH2 ARG A 84 21.370 -3.634 -26.295 1.00 0.00 N ATOM 0 H ARG A 84 16.985 3.685 -26.724 1.00 0.00 H new ATOM 0 HA ARG A 84 19.226 2.939 -28.408 1.00 0.00 H new ATOM 0 HB2 ARG A 84 18.527 1.893 -26.175 1.00 0.00 H new ATOM 0 HB3 ARG A 84 17.142 1.213 -27.005 1.00 0.00 H new ATOM 0 HG2 ARG A 84 18.648 -0.051 -28.526 1.00 0.00 H new ATOM 0 HG3 ARG A 84 20.050 0.661 -27.752 1.00 0.00 H new ATOM 0 HD2 ARG A 84 19.174 -0.376 -25.543 1.00 0.00 H new ATOM 0 HD3 ARG A 84 18.050 -1.286 -26.533 1.00 0.00 H new ATOM 0 HE ARG A 84 20.641 -1.682 -27.643 1.00 0.00 H new ATOM 0 HH11 ARG A 84 18.756 -2.587 -24.765 1.00 0.00 H new ATOM 0 HH12 ARG A 84 19.784 -3.978 -24.406 1.00 0.00 H new ATOM 0 HH21 ARG A 84 21.968 -3.422 -27.094 1.00 0.00 H new ATOM 0 HH22 ARG A 84 21.573 -4.441 -25.706 1.00 0.00 H new ATOM 1389 N GLY A 85 18.147 2.279 -30.556 1.00 0.00 N ATOM 1390 CA GLY A 85 17.555 1.987 -31.862 1.00 0.00 C ATOM 1391 C GLY A 85 18.464 2.457 -32.990 1.00 0.00 C ATOM 1392 O GLY A 85 19.652 2.105 -33.001 1.00 0.00 O ATOM 0 H GLY A 85 19.159 2.402 -30.581 1.00 0.00 H new ATOM 0 HA2 GLY A 85 17.379 0.915 -31.954 1.00 0.00 H new ATOM 0 HA3 GLY A 85 16.585 2.477 -31.943 1.00 0.00 H new ATOM 1396 N VAL A 86 17.919 3.278 -33.917 1.00 0.00 N ATOM 1397 CA VAL A 86 18.682 3.854 -35.041 1.00 0.00 C ATOM 1398 C VAL A 86 19.649 4.946 -34.530 1.00 0.00 C ATOM 1399 O VAL A 86 19.249 6.088 -34.270 1.00 0.00 O ATOM 1400 CB VAL A 86 17.743 4.439 -36.174 1.00 0.00 C ATOM 1401 CG1 VAL A 86 18.570 5.020 -37.359 1.00 0.00 C ATOM 1402 CG2 VAL A 86 16.740 3.365 -36.671 1.00 0.00 C ATOM 0 H VAL A 86 16.938 3.558 -33.904 1.00 0.00 H new ATOM 0 HA VAL A 86 19.256 3.042 -35.487 1.00 0.00 H new ATOM 0 HB VAL A 86 17.174 5.260 -35.738 1.00 0.00 H new ATOM 0 HG11 VAL A 86 17.893 5.412 -38.117 1.00 0.00 H new ATOM 0 HG12 VAL A 86 19.212 5.822 -36.996 1.00 0.00 H new ATOM 0 HG13 VAL A 86 19.185 4.232 -37.794 1.00 0.00 H new ATOM 0 HG21 VAL A 86 16.106 3.791 -37.449 1.00 0.00 H new ATOM 0 HG22 VAL A 86 17.289 2.514 -37.075 1.00 0.00 H new ATOM 0 HG23 VAL A 86 16.119 3.034 -35.838 1.00 0.00 H new ATOM 1412 N ILE A 87 20.904 4.543 -34.319 1.00 0.00 N ATOM 1413 CA ILE A 87 22.022 5.447 -33.994 1.00 0.00 C ATOM 1414 C ILE A 87 22.902 5.610 -35.248 1.00 0.00 C ATOM 1415 O ILE A 87 23.506 6.666 -35.471 1.00 0.00 O ATOM 1416 CB ILE A 87 22.880 4.873 -32.806 1.00 0.00 C ATOM 1417 CG1 ILE A 87 21.962 4.516 -31.589 1.00 0.00 C ATOM 1418 CG2 ILE A 87 24.006 5.860 -32.387 1.00 0.00 C ATOM 1419 CD1 ILE A 87 22.681 3.830 -30.444 1.00 0.00 C ATOM 0 H ILE A 87 21.182 3.563 -34.369 1.00 0.00 H new ATOM 0 HA ILE A 87 21.625 6.414 -33.684 1.00 0.00 H new ATOM 0 HB ILE A 87 23.363 3.959 -33.152 1.00 0.00 H new ATOM 0 HG12 ILE A 87 21.501 5.431 -31.217 1.00 0.00 H new ATOM 0 HG13 ILE A 87 21.155 3.870 -31.935 1.00 0.00 H new ATOM 0 HG21 ILE A 87 24.578 5.431 -31.564 1.00 0.00 H new ATOM 0 HG22 ILE A 87 24.667 6.039 -33.235 1.00 0.00 H new ATOM 0 HG23 ILE A 87 23.563 6.803 -32.068 1.00 0.00 H new ATOM 0 HD11 ILE A 87 21.972 3.619 -29.644 1.00 0.00 H new ATOM 0 HD12 ILE A 87 23.119 2.896 -30.797 1.00 0.00 H new ATOM 0 HD13 ILE A 87 23.470 4.481 -30.067 1.00 0.00 H new ATOM 1431 N LYS A 88 22.957 4.533 -36.064 1.00 0.00 N ATOM 1432 CA LYS A 88 23.750 4.497 -37.306 1.00 0.00 C ATOM 1433 C LYS A 88 23.096 5.332 -38.425 1.00 0.00 C ATOM 1434 O LYS A 88 21.930 5.738 -38.333 1.00 0.00 O ATOM 1435 CB LYS A 88 23.964 3.032 -37.785 1.00 0.00 C ATOM 1436 CG LYS A 88 22.674 2.266 -38.159 1.00 0.00 C ATOM 1437 CD LYS A 88 22.959 0.871 -38.785 1.00 0.00 C ATOM 1438 CE LYS A 88 23.769 -0.070 -37.868 1.00 0.00 C ATOM 1439 NZ LYS A 88 23.083 -0.352 -36.581 1.00 0.00 N ATOM 0 H LYS A 88 22.452 3.667 -35.877 1.00 0.00 H new ATOM 0 HA LYS A 88 24.721 4.939 -37.081 1.00 0.00 H new ATOM 0 HB2 LYS A 88 24.625 3.043 -38.652 1.00 0.00 H new ATOM 0 HB3 LYS A 88 24.479 2.481 -36.998 1.00 0.00 H new ATOM 0 HG2 LYS A 88 22.061 2.140 -37.267 1.00 0.00 H new ATOM 0 HG3 LYS A 88 22.094 2.863 -38.863 1.00 0.00 H new ATOM 0 HD2 LYS A 88 22.011 0.394 -39.033 1.00 0.00 H new ATOM 0 HD3 LYS A 88 23.502 1.007 -39.721 1.00 0.00 H new ATOM 0 HE2 LYS A 88 23.952 -1.009 -38.390 1.00 0.00 H new ATOM 0 HE3 LYS A 88 24.742 0.377 -37.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 23.672 -0.988 -36.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 22.931 0.539 -36.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 22.166 -0.804 -36.768 1.00 0.00 H new ATOM 1453 N GLU A 89 23.873 5.548 -39.488 1.00 0.00 N ATOM 1454 CA GLU A 89 23.478 6.332 -40.662 1.00 0.00 C ATOM 1455 C GLU A 89 23.956 5.601 -41.946 1.00 0.00 C ATOM 1456 O GLU A 89 25.140 5.186 -42.002 1.00 0.00 O ATOM 1457 CB GLU A 89 24.050 7.781 -40.556 1.00 0.00 C ATOM 1458 CG GLU A 89 25.532 7.862 -40.121 1.00 0.00 C ATOM 1459 CD GLU A 89 26.092 9.294 -40.093 1.00 0.00 C ATOM 1460 OE1 GLU A 89 25.828 10.026 -39.117 1.00 0.00 O ATOM 1461 OE2 GLU A 89 26.813 9.686 -41.040 1.00 0.00 O ATOM 1462 OXT GLU A 89 23.145 5.414 -42.879 1.00 0.00 O ATOM 0 H GLU A 89 24.819 5.173 -39.559 1.00 0.00 H new ATOM 0 HA GLU A 89 22.393 6.421 -40.710 1.00 0.00 H new ATOM 0 HB2 GLU A 89 23.943 8.271 -41.524 1.00 0.00 H new ATOM 0 HB3 GLU A 89 23.446 8.344 -39.845 1.00 0.00 H new ATOM 0 HG2 GLU A 89 25.635 7.422 -39.129 1.00 0.00 H new ATOM 0 HG3 GLU A 89 26.134 7.259 -40.801 1.00 0.00 H new TER 1469 GLU A 89