USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 876 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 64 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 84 GLN : amide:sc= 0 X(o=0,f=-0.075) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= -0.0116 (180deg=-0.221) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.169 X(o=-0.17,f=-0.041) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= -0.0954 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0165 USER MOD Single : A 22 THR OG1 : rot 180:sc=-0.00692 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.668 X(o=-0.67,f=-1.1) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -0.792 X(o=-0.79,f=-1) USER MOD Single : A 31 GLN : amide:sc= -0.125 K(o=-0.12,f=-1.3!) USER MOD Single : A 32 GLN : amide:sc= -0.0255 K(o=-0.025,f=-2.2) USER MOD Single : A 34 ASN : amide:sc= -0.058 K(o=-0.058,f=-0.83) USER MOD Single : A 37 LYS NZ :NH3+ 162:sc=-0.00777 (180deg=-0.149) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0872 USER MOD Single : A 40 THR OG1 : rot -160:sc= 0 USER MOD Single : A 41 THR OG1 : rot 11:sc= -0.787 USER MOD Single : A 43 GLN : amide:sc= -1.03 K(o=-1,f=-2.1!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 151:sc= -0.14 (180deg=-0.714) USER MOD Single : A 65 ASN : amide:sc= -0.892 K(o=-0.89,f=-2!) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.508 X(o=-0.51,f=-0.51) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 CYS SG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl -175:sc= -0.0945 (180deg=-0.12) USER MOD Single : A 94 SER OG : rot 95:sc= 1.14 USER MOD Single : A 95 GLN : amide:sc= -0.126 K(o=-0.13,f=-1.1) USER MOD Single : A 99 GLN : amide:sc= -1.2 X(o=-1.2,f=-1.2) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN :FLIP amide:sc= -1.04 F(o=-3.3,f=-1) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 HIS : no HD1:sc= -0.639 X(o=-0.64,f=-0.64) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -28.277 -42.059 -27.277 1.00 0.00 N ATOM 2 CA MET A 1 -29.098 -43.205 -27.650 1.00 0.00 C ATOM 3 C MET A 1 -30.503 -43.079 -27.069 1.00 0.00 C ATOM 4 O MET A 1 -31.480 -43.502 -27.687 1.00 0.00 O ATOM 5 CB MET A 1 -28.448 -44.503 -27.168 1.00 0.00 C ATOM 6 CG MET A 1 -27.597 -45.187 -28.226 1.00 0.00 C ATOM 7 SD MET A 1 -26.252 -46.154 -27.517 1.00 0.00 S ATOM 8 CE MET A 1 -27.152 -47.561 -26.868 1.00 0.00 C ATOM 0 H1 MET A 1 -27.411 -42.051 -27.853 1.00 0.00 H new ATOM 0 H2 MET A 1 -28.811 -41.182 -27.441 1.00 0.00 H new ATOM 0 H3 MET A 1 -28.023 -42.127 -26.271 1.00 0.00 H new ATOM 0 HA MET A 1 -29.175 -43.228 -28.737 1.00 0.00 H new ATOM 0 HB2 MET A 1 -27.828 -44.288 -26.298 1.00 0.00 H new ATOM 0 HB3 MET A 1 -29.228 -45.190 -26.841 1.00 0.00 H new ATOM 0 HG2 MET A 1 -28.229 -45.839 -28.829 1.00 0.00 H new ATOM 0 HG3 MET A 1 -27.183 -44.434 -28.897 1.00 0.00 H new ATOM 0 HE1 MET A 1 -26.454 -48.253 -26.396 1.00 0.00 H new ATOM 0 HE2 MET A 1 -27.879 -47.219 -26.131 1.00 0.00 H new ATOM 0 HE3 MET A 1 -27.671 -48.068 -27.682 1.00 0.00 H new ATOM 17 N SER A 2 -30.596 -42.497 -25.878 1.00 0.00 N ATOM 18 CA SER A 2 -31.881 -42.320 -25.213 1.00 0.00 C ATOM 19 C SER A 2 -32.021 -40.901 -24.671 1.00 0.00 C ATOM 20 O SER A 2 -31.134 -40.066 -24.850 1.00 0.00 O ATOM 21 CB SER A 2 -32.032 -43.329 -24.073 1.00 0.00 C ATOM 22 OG SER A 2 -31.373 -42.880 -22.902 1.00 0.00 O ATOM 0 H SER A 2 -29.797 -42.140 -25.354 1.00 0.00 H new ATOM 0 HA SER A 2 -32.669 -42.490 -25.947 1.00 0.00 H new ATOM 0 HB2 SER A 2 -33.089 -43.487 -23.861 1.00 0.00 H new ATOM 0 HB3 SER A 2 -31.621 -44.291 -24.379 1.00 0.00 H new ATOM 0 HG SER A 2 -31.486 -43.542 -22.189 1.00 0.00 H new ATOM 28 N ILE A 3 -33.143 -40.635 -24.010 1.00 0.00 N ATOM 29 CA ILE A 3 -33.400 -39.317 -23.442 1.00 0.00 C ATOM 30 C ILE A 3 -32.905 -39.233 -22.002 1.00 0.00 C ATOM 31 O ILE A 3 -33.034 -40.186 -21.236 1.00 0.00 O ATOM 32 CB ILE A 3 -34.900 -38.972 -23.477 1.00 0.00 C ATOM 33 CG1 ILE A 3 -35.127 -37.534 -23.006 1.00 0.00 C ATOM 34 CG2 ILE A 3 -35.689 -39.948 -22.617 1.00 0.00 C ATOM 35 CD1 ILE A 3 -34.463 -36.497 -23.887 1.00 0.00 C ATOM 0 H ILE A 3 -33.888 -41.314 -23.855 1.00 0.00 H new ATOM 0 HA ILE A 3 -32.855 -38.598 -24.054 1.00 0.00 H new ATOM 0 HB ILE A 3 -35.253 -39.057 -24.505 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -36.198 -37.337 -22.971 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -34.750 -37.430 -21.989 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -36.748 -39.691 -22.652 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -35.549 -40.961 -22.995 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -35.336 -39.893 -21.587 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -34.666 -35.501 -23.493 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -33.387 -36.668 -23.903 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -34.858 -36.574 -24.900 1.00 0.00 H new ATOM 47 N GLU A 4 -32.339 -38.085 -21.644 1.00 0.00 N ATOM 48 CA GLU A 4 -31.825 -37.877 -20.294 1.00 0.00 C ATOM 49 C GLU A 4 -32.388 -36.593 -19.690 1.00 0.00 C ATOM 50 O GLU A 4 -33.173 -36.633 -18.744 1.00 0.00 O ATOM 51 CB GLU A 4 -30.297 -37.818 -20.309 1.00 0.00 C ATOM 52 CG GLU A 4 -29.634 -39.063 -19.744 1.00 0.00 C ATOM 53 CD GLU A 4 -28.349 -39.420 -20.466 1.00 0.00 C ATOM 54 OE1 GLU A 4 -27.676 -38.497 -20.973 1.00 0.00 O ATOM 55 OE2 GLU A 4 -28.015 -40.621 -20.524 1.00 0.00 O ATOM 0 H GLU A 4 -32.225 -37.286 -22.268 1.00 0.00 H new ATOM 0 HA GLU A 4 -32.143 -38.719 -19.678 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -29.958 -37.669 -21.334 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -29.970 -36.950 -19.736 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -29.421 -38.908 -18.686 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -30.328 -39.901 -19.810 1.00 0.00 H new ATOM 62 N ASN A 5 -31.978 -35.456 -20.244 1.00 0.00 N ATOM 63 CA ASN A 5 -32.440 -34.160 -19.759 1.00 0.00 C ATOM 64 C ASN A 5 -32.939 -33.295 -20.912 1.00 0.00 C ATOM 65 O ASN A 5 -33.047 -33.758 -22.048 1.00 0.00 O ATOM 66 CB ASN A 5 -31.314 -33.440 -19.015 1.00 0.00 C ATOM 67 CG ASN A 5 -30.443 -34.394 -18.221 1.00 0.00 C ATOM 68 OD1 ASN A 5 -29.239 -34.495 -18.457 1.00 0.00 O ATOM 69 ND2 ASN A 5 -31.049 -35.100 -17.274 1.00 0.00 N ATOM 0 H ASN A 5 -31.328 -35.406 -21.028 1.00 0.00 H new ATOM 0 HA ASN A 5 -33.269 -34.331 -19.072 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -30.696 -32.899 -19.732 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -31.743 -32.698 -18.341 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -30.514 -35.758 -16.708 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -32.049 -34.984 -17.113 1.00 0.00 H new ATOM 76 N LEU A 6 -33.238 -32.036 -20.612 1.00 0.00 N ATOM 77 CA LEU A 6 -33.725 -31.104 -21.625 1.00 0.00 C ATOM 78 C LEU A 6 -33.020 -29.756 -21.506 1.00 0.00 C ATOM 79 O LEU A 6 -32.445 -29.433 -20.467 1.00 0.00 O ATOM 80 CB LEU A 6 -35.237 -30.916 -21.488 1.00 0.00 C ATOM 81 CG LEU A 6 -36.088 -32.174 -21.662 1.00 0.00 C ATOM 82 CD1 LEU A 6 -36.994 -32.376 -20.456 1.00 0.00 C ATOM 83 CD2 LEU A 6 -36.910 -32.089 -22.940 1.00 0.00 C ATOM 0 H LEU A 6 -33.152 -31.637 -19.677 1.00 0.00 H new ATOM 0 HA LEU A 6 -33.505 -31.523 -22.607 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -35.443 -30.496 -20.504 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -35.559 -30.179 -22.223 1.00 0.00 H new ATOM 0 HG LEU A 6 -35.422 -33.033 -21.739 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -37.592 -33.276 -20.597 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -36.386 -32.482 -19.558 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -37.654 -31.515 -20.348 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -37.510 -32.993 -23.048 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -37.567 -31.221 -22.893 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -36.242 -31.992 -23.796 1.00 0.00 H new ATOM 95 N LYS A 7 -33.071 -28.972 -22.577 1.00 0.00 N ATOM 96 CA LYS A 7 -32.440 -27.657 -22.595 1.00 0.00 C ATOM 97 C LYS A 7 -30.951 -27.765 -22.290 1.00 0.00 C ATOM 98 O LYS A 7 -30.412 -28.863 -22.156 1.00 0.00 O ATOM 99 CB LYS A 7 -33.115 -26.732 -21.580 1.00 0.00 C ATOM 100 CG LYS A 7 -34.585 -26.478 -21.870 1.00 0.00 C ATOM 101 CD LYS A 7 -34.766 -25.393 -22.919 1.00 0.00 C ATOM 102 CE LYS A 7 -36.161 -24.791 -22.864 1.00 0.00 C ATOM 103 NZ LYS A 7 -36.220 -23.613 -21.954 1.00 0.00 N ATOM 0 H LYS A 7 -33.543 -29.224 -23.445 1.00 0.00 H new ATOM 0 HA LYS A 7 -32.558 -27.237 -23.594 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -33.020 -27.167 -20.585 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -32.587 -25.779 -21.563 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -35.054 -27.400 -22.214 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -35.093 -26.186 -20.951 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -34.024 -24.609 -22.765 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -34.588 -25.810 -23.910 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -36.467 -24.492 -23.866 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -36.870 -25.547 -22.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -37.187 -23.231 -21.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -35.952 -23.904 -20.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -35.562 -22.881 -22.290 1.00 0.00 H new ATOM 117 N SER A 8 -30.291 -26.616 -22.179 1.00 0.00 N ATOM 118 CA SER A 8 -28.860 -26.581 -21.890 1.00 0.00 C ATOM 119 C SER A 8 -28.516 -25.397 -20.994 1.00 0.00 C ATOM 120 O SER A 8 -28.308 -24.280 -21.470 1.00 0.00 O ATOM 121 CB SER A 8 -28.059 -26.499 -23.191 1.00 0.00 C ATOM 122 OG SER A 8 -28.708 -25.670 -24.139 1.00 0.00 O ATOM 0 H SER A 8 -30.723 -25.698 -22.284 1.00 0.00 H new ATOM 0 HA SER A 8 -28.597 -27.500 -21.366 1.00 0.00 H new ATOM 0 HB2 SER A 8 -27.063 -26.109 -22.984 1.00 0.00 H new ATOM 0 HB3 SER A 8 -27.930 -27.499 -23.606 1.00 0.00 H new ATOM 0 HG SER A 8 -28.175 -25.633 -24.961 1.00 0.00 H new ATOM 128 N PHE A 9 -28.459 -25.647 -19.690 1.00 0.00 N ATOM 129 CA PHE A 9 -28.141 -24.603 -18.723 1.00 0.00 C ATOM 130 C PHE A 9 -26.692 -24.713 -18.258 1.00 0.00 C ATOM 131 O PHE A 9 -26.122 -25.805 -18.222 1.00 0.00 O ATOM 132 CB PHE A 9 -29.082 -24.688 -17.520 1.00 0.00 C ATOM 133 CG PHE A 9 -29.995 -23.504 -17.388 1.00 0.00 C ATOM 134 CD1 PHE A 9 -29.513 -22.286 -16.935 1.00 0.00 C ATOM 135 CD2 PHE A 9 -31.338 -23.607 -17.717 1.00 0.00 C ATOM 136 CE1 PHE A 9 -30.353 -21.195 -16.812 1.00 0.00 C ATOM 137 CE2 PHE A 9 -32.181 -22.519 -17.598 1.00 0.00 C ATOM 138 CZ PHE A 9 -31.687 -21.311 -17.146 1.00 0.00 C ATOM 0 H PHE A 9 -28.629 -26.565 -19.278 1.00 0.00 H new ATOM 0 HA PHE A 9 -28.274 -23.638 -19.212 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -29.684 -25.593 -17.603 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -28.488 -24.782 -16.611 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -28.469 -22.188 -16.675 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -31.730 -24.549 -18.071 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -29.965 -20.252 -16.455 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -33.225 -22.613 -17.858 1.00 0.00 H new ATOM 0 HZ PHE A 9 -32.344 -20.459 -17.054 1.00 0.00 H new ATOM 148 N ASP A 10 -26.101 -23.578 -17.905 1.00 0.00 N ATOM 149 CA ASP A 10 -24.718 -23.546 -17.442 1.00 0.00 C ATOM 150 C ASP A 10 -24.642 -23.094 -15.988 1.00 0.00 C ATOM 151 O ASP A 10 -25.527 -22.405 -15.478 1.00 0.00 O ATOM 152 CB ASP A 10 -23.885 -22.614 -18.324 1.00 0.00 C ATOM 153 CG ASP A 10 -23.926 -21.176 -17.848 1.00 0.00 C ATOM 154 OD1 ASP A 10 -25.029 -20.591 -17.825 1.00 0.00 O ATOM 155 OD2 ASP A 10 -22.856 -20.635 -17.497 1.00 0.00 O ATOM 0 H ASP A 10 -26.558 -22.666 -17.930 1.00 0.00 H new ATOM 0 HA ASP A 10 -24.314 -24.556 -17.510 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -22.851 -22.960 -18.338 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -24.252 -22.665 -19.349 1.00 0.00 H new ATOM 160 N PRO A 11 -23.560 -23.489 -15.300 1.00 0.00 N ATOM 161 CA PRO A 11 -23.343 -23.136 -13.895 1.00 0.00 C ATOM 162 C PRO A 11 -23.039 -21.653 -13.710 1.00 0.00 C ATOM 163 O PRO A 11 -22.403 -21.029 -14.558 1.00 0.00 O ATOM 164 CB PRO A 11 -22.130 -23.983 -13.499 1.00 0.00 C ATOM 165 CG PRO A 11 -21.407 -24.229 -14.778 1.00 0.00 C ATOM 166 CD PRO A 11 -22.465 -24.311 -15.844 1.00 0.00 C ATOM 0 HA PRO A 11 -24.228 -23.323 -13.287 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -21.498 -23.459 -12.782 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -22.436 -24.919 -13.031 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -20.702 -23.424 -14.989 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -20.830 -25.153 -14.729 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -22.106 -23.923 -16.797 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -22.782 -25.339 -16.018 1.00 0.00 H new ATOM 174 N PHE A 12 -23.498 -21.095 -12.594 1.00 0.00 N ATOM 175 CA PHE A 12 -23.275 -19.684 -12.297 1.00 0.00 C ATOM 176 C PHE A 12 -21.810 -19.424 -11.964 1.00 0.00 C ATOM 177 O PHE A 12 -21.105 -18.746 -12.710 1.00 0.00 O ATOM 178 CB PHE A 12 -24.163 -19.241 -11.132 1.00 0.00 C ATOM 179 CG PHE A 12 -24.047 -17.777 -10.814 1.00 0.00 C ATOM 180 CD1 PHE A 12 -24.662 -16.830 -11.617 1.00 0.00 C ATOM 181 CD2 PHE A 12 -23.324 -17.350 -9.713 1.00 0.00 C ATOM 182 CE1 PHE A 12 -24.557 -15.483 -11.327 1.00 0.00 C ATOM 183 CE2 PHE A 12 -23.215 -16.003 -9.417 1.00 0.00 C ATOM 184 CZ PHE A 12 -23.833 -15.069 -10.226 1.00 0.00 C ATOM 0 H PHE A 12 -24.026 -21.598 -11.881 1.00 0.00 H new ATOM 0 HA PHE A 12 -23.535 -19.105 -13.183 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -25.202 -19.472 -11.369 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -23.902 -19.819 -10.246 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -25.230 -17.148 -12.479 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -22.840 -18.077 -9.078 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -25.041 -14.754 -11.961 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -22.648 -15.682 -8.555 1.00 0.00 H new ATOM 0 HZ PHE A 12 -23.750 -14.017 -9.998 1.00 0.00 H new ATOM 194 N ALA A 13 -21.360 -19.966 -10.837 1.00 0.00 N ATOM 195 CA ALA A 13 -19.979 -19.793 -10.405 1.00 0.00 C ATOM 196 C ALA A 13 -19.613 -20.798 -9.319 1.00 0.00 C ATOM 197 O ALA A 13 -20.436 -21.624 -8.923 1.00 0.00 O ATOM 198 CB ALA A 13 -19.755 -18.372 -9.909 1.00 0.00 C ATOM 0 H ALA A 13 -21.932 -20.528 -10.207 1.00 0.00 H new ATOM 0 HA ALA A 13 -19.331 -19.973 -11.263 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -18.719 -18.257 -9.590 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -19.967 -17.668 -10.714 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -20.418 -18.171 -9.068 1.00 0.00 H new ATOM 204 N ASP A 14 -18.376 -20.723 -8.841 1.00 0.00 N ATOM 205 CA ASP A 14 -17.903 -21.626 -7.799 1.00 0.00 C ATOM 206 C ASP A 14 -16.544 -21.179 -7.268 1.00 0.00 C ATOM 207 O ASP A 14 -15.718 -20.650 -8.012 1.00 0.00 O ATOM 208 CB ASP A 14 -17.808 -23.055 -8.338 1.00 0.00 C ATOM 209 CG ASP A 14 -18.072 -24.095 -7.267 1.00 0.00 C ATOM 210 OD1 ASP A 14 -18.171 -23.714 -6.081 1.00 0.00 O ATOM 211 OD2 ASP A 14 -18.177 -25.290 -7.614 1.00 0.00 O ATOM 0 H ASP A 14 -17.683 -20.046 -9.159 1.00 0.00 H new ATOM 0 HA ASP A 14 -18.620 -21.602 -6.978 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -18.525 -23.183 -9.149 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -16.816 -23.216 -8.760 1.00 0.00 H new ATOM 216 N THR A 15 -16.320 -21.394 -5.976 1.00 0.00 N ATOM 217 CA THR A 15 -15.064 -21.011 -5.344 1.00 0.00 C ATOM 218 C THR A 15 -14.873 -19.498 -5.370 1.00 0.00 C ATOM 219 O THR A 15 -15.524 -18.794 -6.141 1.00 0.00 O ATOM 220 CB THR A 15 -13.861 -21.679 -6.035 1.00 0.00 C ATOM 221 OG1 THR A 15 -14.248 -22.949 -6.571 1.00 0.00 O ATOM 222 CG2 THR A 15 -12.709 -21.866 -5.058 1.00 0.00 C ATOM 0 H THR A 15 -16.993 -21.832 -5.346 1.00 0.00 H new ATOM 0 HA THR A 15 -15.115 -21.351 -4.310 1.00 0.00 H new ATOM 0 HB THR A 15 -13.528 -21.029 -6.844 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.478 -23.367 -7.010 1.00 0.00 H new ATOM 0 HG21 THR A 15 -11.871 -22.340 -5.570 1.00 0.00 H new ATOM 0 HG22 THR A 15 -12.397 -20.895 -4.673 1.00 0.00 H new ATOM 0 HG23 THR A 15 -13.033 -22.497 -4.231 1.00 0.00 H new ATOM 230 N GLY A 16 -13.976 -19.004 -4.521 1.00 0.00 N ATOM 231 CA GLY A 16 -13.717 -17.577 -4.463 1.00 0.00 C ATOM 232 C GLY A 16 -13.302 -17.118 -3.080 1.00 0.00 C ATOM 233 O GLY A 16 -13.880 -17.543 -2.079 1.00 0.00 O ATOM 0 H GLY A 16 -13.425 -19.566 -3.873 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.933 -17.324 -5.177 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -14.613 -17.036 -4.768 1.00 0.00 H new ATOM 237 N ASP A 17 -12.299 -16.251 -3.022 1.00 0.00 N ATOM 238 CA ASP A 17 -11.805 -15.735 -1.750 1.00 0.00 C ATOM 239 C ASP A 17 -12.334 -14.327 -1.494 1.00 0.00 C ATOM 240 O ASP A 17 -12.381 -13.497 -2.402 1.00 0.00 O ATOM 241 CB ASP A 17 -10.276 -15.730 -1.735 1.00 0.00 C ATOM 242 CG ASP A 17 -9.689 -17.067 -2.142 1.00 0.00 C ATOM 243 OD1 ASP A 17 -9.591 -17.326 -3.360 1.00 0.00 O ATOM 244 OD2 ASP A 17 -9.326 -17.853 -1.244 1.00 0.00 O ATOM 0 H ASP A 17 -11.811 -15.890 -3.841 1.00 0.00 H new ATOM 0 HA ASP A 17 -12.165 -16.390 -0.956 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -9.911 -14.956 -2.410 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -9.926 -15.472 -0.735 1.00 0.00 H new ATOM 249 N ASP A 18 -12.731 -14.066 -0.254 1.00 0.00 N ATOM 250 CA ASP A 18 -13.257 -12.759 0.122 1.00 0.00 C ATOM 251 C ASP A 18 -13.093 -12.517 1.619 1.00 0.00 C ATOM 252 O ASP A 18 -13.992 -12.811 2.406 1.00 0.00 O ATOM 253 CB ASP A 18 -14.732 -12.648 -0.267 1.00 0.00 C ATOM 254 CG ASP A 18 -14.919 -12.235 -1.715 1.00 0.00 C ATOM 255 OD1 ASP A 18 -14.760 -11.033 -2.013 1.00 0.00 O ATOM 256 OD2 ASP A 18 -15.226 -13.113 -2.546 1.00 0.00 O ATOM 0 H ASP A 18 -12.699 -14.743 0.509 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.690 -11.999 -0.415 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -15.222 -13.607 -0.099 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -15.222 -11.922 0.381 1.00 0.00 H new ATOM 261 N GLU A 19 -11.939 -11.982 2.005 1.00 0.00 N ATOM 262 CA GLU A 19 -11.657 -11.703 3.408 1.00 0.00 C ATOM 263 C GLU A 19 -11.700 -12.985 4.236 1.00 0.00 C ATOM 264 O GLU A 19 -12.771 -13.447 4.634 1.00 0.00 O ATOM 265 CB GLU A 19 -12.664 -10.692 3.961 1.00 0.00 C ATOM 266 CG GLU A 19 -12.795 -9.438 3.115 1.00 0.00 C ATOM 267 CD GLU A 19 -13.104 -8.205 3.941 1.00 0.00 C ATOM 268 OE1 GLU A 19 -12.166 -7.647 4.548 1.00 0.00 O ATOM 269 OE2 GLU A 19 -14.284 -7.799 3.984 1.00 0.00 O ATOM 0 H GLU A 19 -11.184 -11.733 1.366 1.00 0.00 H new ATOM 0 HA GLU A 19 -10.654 -11.281 3.475 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -13.640 -11.170 4.040 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -12.365 -10.409 4.970 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -11.868 -9.278 2.564 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -13.584 -9.583 2.377 1.00 0.00 H new ATOM 276 N THR A 20 -10.527 -13.555 4.494 1.00 0.00 N ATOM 277 CA THR A 20 -10.428 -14.784 5.272 1.00 0.00 C ATOM 278 C THR A 20 -10.069 -14.487 6.723 1.00 0.00 C ATOM 279 O THR A 20 -10.786 -14.880 7.642 1.00 0.00 O ATOM 280 CB THR A 20 -9.377 -15.741 4.679 1.00 0.00 C ATOM 281 OG1 THR A 20 -8.734 -15.129 3.556 1.00 0.00 O ATOM 282 CG2 THR A 20 -10.021 -17.052 4.252 1.00 0.00 C ATOM 0 H THR A 20 -9.632 -13.185 4.175 1.00 0.00 H new ATOM 0 HA THR A 20 -11.406 -15.263 5.234 1.00 0.00 H new ATOM 0 HB THR A 20 -8.634 -15.953 5.448 1.00 0.00 H new ATOM 0 HG1 THR A 20 -8.066 -15.744 3.186 1.00 0.00 H new ATOM 0 HG21 THR A 20 -9.260 -17.713 3.836 1.00 0.00 H new ATOM 0 HG22 THR A 20 -10.483 -17.529 5.116 1.00 0.00 H new ATOM 0 HG23 THR A 20 -10.782 -16.855 3.497 1.00 0.00 H new ATOM 290 N ALA A 21 -8.954 -13.791 6.921 1.00 0.00 N ATOM 291 CA ALA A 21 -8.502 -13.439 8.261 1.00 0.00 C ATOM 292 C ALA A 21 -7.316 -12.482 8.207 1.00 0.00 C ATOM 293 O ALA A 21 -6.879 -12.078 7.129 1.00 0.00 O ATOM 294 CB ALA A 21 -8.135 -14.693 9.040 1.00 0.00 C ATOM 0 H ALA A 21 -8.348 -13.460 6.171 1.00 0.00 H new ATOM 0 HA ALA A 21 -9.321 -12.933 8.772 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.799 -14.415 10.039 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.008 -15.341 9.118 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.335 -15.222 8.522 1.00 0.00 H new ATOM 300 N THR A 22 -6.797 -12.121 9.377 1.00 0.00 N ATOM 301 CA THR A 22 -5.663 -11.210 9.462 1.00 0.00 C ATOM 302 C THR A 22 -6.018 -9.837 8.903 1.00 0.00 C ATOM 303 O THR A 22 -6.041 -9.637 7.689 1.00 0.00 O ATOM 304 CB THR A 22 -4.441 -11.761 8.703 1.00 0.00 C ATOM 305 OG1 THR A 22 -4.411 -13.189 8.795 1.00 0.00 O ATOM 306 CG2 THR A 22 -3.151 -11.184 9.263 1.00 0.00 C ATOM 0 H THR A 22 -7.145 -12.446 10.279 1.00 0.00 H new ATOM 0 HA THR A 22 -5.412 -11.115 10.519 1.00 0.00 H new ATOM 0 HB THR A 22 -4.527 -11.467 7.657 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.632 -13.532 8.309 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.302 -11.588 8.711 1.00 0.00 H new ATOM 0 HG22 THR A 22 -3.165 -10.099 9.164 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.060 -11.451 10.316 1.00 0.00 H new ATOM 314 N SER A 23 -6.294 -8.892 9.798 1.00 0.00 N ATOM 315 CA SER A 23 -6.652 -7.538 9.394 1.00 0.00 C ATOM 316 C SER A 23 -5.402 -6.707 9.112 1.00 0.00 C ATOM 317 O SER A 23 -4.282 -7.142 9.377 1.00 0.00 O ATOM 318 CB SER A 23 -7.492 -6.863 10.478 1.00 0.00 C ATOM 319 OG SER A 23 -8.771 -7.467 10.582 1.00 0.00 O ATOM 0 H SER A 23 -6.276 -9.040 10.807 1.00 0.00 H new ATOM 0 HA SER A 23 -7.240 -7.603 8.478 1.00 0.00 H new ATOM 0 HB2 SER A 23 -6.976 -6.929 11.436 1.00 0.00 H new ATOM 0 HB3 SER A 23 -7.604 -5.803 10.249 1.00 0.00 H new ATOM 0 HG SER A 23 -9.288 -7.019 11.283 1.00 0.00 H new ATOM 325 N ASN A 24 -5.604 -5.508 8.575 1.00 0.00 N ATOM 326 CA ASN A 24 -4.494 -4.617 8.257 1.00 0.00 C ATOM 327 C ASN A 24 -3.589 -5.232 7.196 1.00 0.00 C ATOM 328 O ASN A 24 -2.813 -6.146 7.482 1.00 0.00 O ATOM 329 CB ASN A 24 -3.686 -4.306 9.518 1.00 0.00 C ATOM 330 CG ASN A 24 -4.564 -3.875 10.677 1.00 0.00 C ATOM 331 OD1 ASN A 24 -5.155 -2.795 10.653 1.00 0.00 O ATOM 332 ND2 ASN A 24 -4.651 -4.718 11.698 1.00 0.00 N ATOM 0 H ASN A 24 -6.525 -5.131 8.351 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.907 -3.689 7.861 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.115 -5.188 9.807 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -2.966 -3.518 9.299 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -5.226 -4.482 12.507 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.143 -5.602 11.674 1.00 0.00 H new ATOM 339 N TYR A 25 -3.691 -4.726 5.971 1.00 0.00 N ATOM 340 CA TYR A 25 -2.882 -5.228 4.867 1.00 0.00 C ATOM 341 C TYR A 25 -1.608 -4.404 4.708 1.00 0.00 C ATOM 342 O TYR A 25 -0.603 -4.889 4.188 1.00 0.00 O ATOM 343 CB TYR A 25 -3.685 -5.203 3.567 1.00 0.00 C ATOM 344 CG TYR A 25 -4.073 -6.575 3.067 1.00 0.00 C ATOM 345 CD1 TYR A 25 -5.233 -7.197 3.513 1.00 0.00 C ATOM 346 CD2 TYR A 25 -3.279 -7.253 2.149 1.00 0.00 C ATOM 347 CE1 TYR A 25 -5.591 -8.452 3.059 1.00 0.00 C ATOM 348 CE2 TYR A 25 -3.630 -8.507 1.690 1.00 0.00 C ATOM 349 CZ TYR A 25 -4.786 -9.103 2.149 1.00 0.00 C ATOM 350 OH TYR A 25 -5.139 -10.353 1.693 1.00 0.00 O ATOM 0 H TYR A 25 -4.326 -3.969 5.718 1.00 0.00 H new ATOM 0 HA TYR A 25 -2.602 -6.257 5.093 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -4.588 -4.613 3.720 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -3.100 -4.698 2.798 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.866 -6.691 4.227 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.372 -6.791 1.789 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -6.497 -8.920 3.415 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.003 -9.019 0.975 1.00 0.00 H new ATOM 0 HH TYR A 25 -4.465 -10.671 1.056 1.00 0.00 H new ATOM 360 N ILE A 26 -1.659 -3.155 5.158 1.00 0.00 N ATOM 361 CA ILE A 26 -0.509 -2.263 5.068 1.00 0.00 C ATOM 362 C ILE A 26 -0.515 -1.241 6.200 1.00 0.00 C ATOM 363 O ILE A 26 -1.473 -0.484 6.362 1.00 0.00 O ATOM 364 CB ILE A 26 -0.480 -1.519 3.720 1.00 0.00 C ATOM 365 CG1 ILE A 26 -1.879 -1.012 3.360 1.00 0.00 C ATOM 366 CG2 ILE A 26 0.059 -2.427 2.625 1.00 0.00 C ATOM 367 CD1 ILE A 26 -1.872 0.116 2.353 1.00 0.00 C ATOM 0 H ILE A 26 -2.484 -2.738 5.589 1.00 0.00 H new ATOM 0 HA ILE A 26 0.381 -2.886 5.150 1.00 0.00 H new ATOM 0 HB ILE A 26 0.184 -0.659 3.811 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.465 -1.840 2.962 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.379 -0.675 4.268 1.00 0.00 H new ATOM 0 HG21 ILE A 26 0.073 -1.887 1.678 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.071 -2.741 2.879 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.581 -3.305 2.532 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -2.897 0.425 2.145 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.313 0.961 2.757 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.401 -0.223 1.430 1.00 0.00 H new ATOM 379 N HIS A 27 0.560 -1.225 6.980 1.00 0.00 N ATOM 380 CA HIS A 27 0.681 -0.294 8.097 1.00 0.00 C ATOM 381 C HIS A 27 1.426 0.969 7.673 1.00 0.00 C ATOM 382 O HIS A 27 2.421 0.902 6.952 1.00 0.00 O ATOM 383 CB HIS A 27 1.407 -0.959 9.266 1.00 0.00 C ATOM 384 CG HIS A 27 1.730 -0.017 10.385 1.00 0.00 C ATOM 385 ND1 HIS A 27 2.830 0.815 10.375 1.00 0.00 N ATOM 386 CD2 HIS A 27 1.088 0.225 11.552 1.00 0.00 C ATOM 387 CE1 HIS A 27 2.851 1.525 11.489 1.00 0.00 C ATOM 388 NE2 HIS A 27 1.806 1.187 12.220 1.00 0.00 N ATOM 0 H HIS A 27 1.360 -1.846 6.860 1.00 0.00 H new ATOM 0 HA HIS A 27 -0.323 -0.014 8.415 1.00 0.00 H new ATOM 0 HB2 HIS A 27 0.790 -1.770 9.652 1.00 0.00 H new ATOM 0 HB3 HIS A 27 2.331 -1.407 8.901 1.00 0.00 H new ATOM 0 HD2 HIS A 27 0.180 -0.250 11.894 1.00 0.00 H new ATOM 0 HE1 HIS A 27 3.598 2.258 11.756 1.00 0.00 H new ATOM 0 HE2 HIS A 27 1.570 1.577 13.133 1.00 0.00 H new ATOM 396 N ILE A 28 0.934 2.118 8.125 1.00 0.00 N ATOM 397 CA ILE A 28 1.554 3.395 7.793 1.00 0.00 C ATOM 398 C ILE A 28 1.477 4.365 8.967 1.00 0.00 C ATOM 399 O ILE A 28 0.397 4.827 9.337 1.00 0.00 O ATOM 400 CB ILE A 28 0.885 4.043 6.565 1.00 0.00 C ATOM 401 CG1 ILE A 28 0.381 2.963 5.604 1.00 0.00 C ATOM 402 CG2 ILE A 28 1.862 4.972 5.859 1.00 0.00 C ATOM 403 CD1 ILE A 28 -0.223 3.520 4.334 1.00 0.00 C ATOM 0 H ILE A 28 0.109 2.191 8.721 1.00 0.00 H new ATOM 0 HA ILE A 28 2.599 3.188 7.562 1.00 0.00 H new ATOM 0 HB ILE A 28 0.032 4.632 6.902 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.209 2.304 5.344 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.364 2.353 6.114 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.375 5.422 4.994 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.179 5.757 6.546 1.00 0.00 H new ATOM 0 HG23 ILE A 28 2.732 4.403 5.531 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -0.559 2.699 3.700 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.072 4.156 4.584 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.526 4.106 3.802 1.00 0.00 H new ATOM 415 N ARG A 29 2.632 4.672 9.550 1.00 0.00 N ATOM 416 CA ARG A 29 2.697 5.587 10.682 1.00 0.00 C ATOM 417 C ARG A 29 3.627 6.758 10.381 1.00 0.00 C ATOM 418 O ARG A 29 4.805 6.565 10.075 1.00 0.00 O ATOM 419 CB ARG A 29 3.176 4.850 11.934 1.00 0.00 C ATOM 420 CG ARG A 29 3.432 5.765 13.119 1.00 0.00 C ATOM 421 CD ARG A 29 4.913 5.840 13.457 1.00 0.00 C ATOM 422 NE ARG A 29 5.372 4.655 14.173 1.00 0.00 N ATOM 423 CZ ARG A 29 5.023 4.370 15.422 1.00 0.00 C ATOM 424 NH1 ARG A 29 4.216 5.181 16.090 1.00 0.00 N ATOM 425 NH2 ARG A 29 5.483 3.270 16.008 1.00 0.00 N ATOM 0 H ARG A 29 3.535 4.300 9.256 1.00 0.00 H new ATOM 0 HA ARG A 29 1.695 5.977 10.860 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.430 4.106 12.215 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.093 4.309 11.699 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.058 6.764 12.896 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.878 5.403 13.985 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.489 5.954 12.539 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.102 6.726 14.064 1.00 0.00 H new ATOM 0 HE ARG A 29 5.995 4.010 13.688 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.861 6.027 15.645 1.00 0.00 H new ATOM 0 HH12 ARG A 29 3.950 4.959 17.049 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.105 2.643 15.498 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.214 3.053 16.968 1.00 0.00 H new ATOM 439 N ILE A 30 3.092 7.971 10.473 1.00 0.00 N ATOM 440 CA ILE A 30 3.875 9.172 10.210 1.00 0.00 C ATOM 441 C ILE A 30 4.637 9.614 11.456 1.00 0.00 C ATOM 442 O ILE A 30 4.104 9.583 12.564 1.00 0.00 O ATOM 443 CB ILE A 30 2.982 10.332 9.731 1.00 0.00 C ATOM 444 CG1 ILE A 30 2.157 9.901 8.517 1.00 0.00 C ATOM 445 CG2 ILE A 30 3.829 11.550 9.397 1.00 0.00 C ATOM 446 CD1 ILE A 30 2.999 9.461 7.339 1.00 0.00 C ATOM 0 H ILE A 30 2.120 8.148 10.727 1.00 0.00 H new ATOM 0 HA ILE A 30 4.585 8.921 9.422 1.00 0.00 H new ATOM 0 HB ILE A 30 2.297 10.600 10.536 1.00 0.00 H new ATOM 0 HG12 ILE A 30 1.498 9.083 8.808 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.520 10.730 8.208 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.183 12.361 9.060 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.376 11.867 10.285 1.00 0.00 H new ATOM 0 HG23 ILE A 30 4.535 11.296 8.606 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.348 9.170 6.515 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.639 10.284 7.022 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.617 8.612 7.631 1.00 0.00 H new ATOM 458 N GLN A 31 5.887 10.025 11.263 1.00 0.00 N ATOM 459 CA GLN A 31 6.721 10.474 12.371 1.00 0.00 C ATOM 460 C GLN A 31 7.625 11.625 11.939 1.00 0.00 C ATOM 461 O GLN A 31 8.196 11.602 10.850 1.00 0.00 O ATOM 462 CB GLN A 31 7.569 9.315 12.900 1.00 0.00 C ATOM 463 CG GLN A 31 8.556 8.769 11.882 1.00 0.00 C ATOM 464 CD GLN A 31 9.511 7.755 12.481 1.00 0.00 C ATOM 465 OE1 GLN A 31 10.725 7.841 12.292 1.00 0.00 O ATOM 466 NE2 GLN A 31 8.966 6.786 13.207 1.00 0.00 N ATOM 0 H GLN A 31 6.343 10.056 10.351 1.00 0.00 H new ATOM 0 HA GLN A 31 6.066 10.829 13.167 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.116 9.649 13.781 1.00 0.00 H new ATOM 0 HB3 GLN A 31 6.908 8.510 13.221 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.007 8.306 11.062 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.128 9.594 11.457 1.00 0.00 H new ATOM 0 HE21 GLN A 31 7.955 6.754 13.337 1.00 0.00 H new ATOM 0 HE22 GLN A 31 9.558 6.074 13.634 1.00 0.00 H new ATOM 475 N GLN A 32 7.746 12.629 12.801 1.00 0.00 N ATOM 476 CA GLN A 32 8.579 13.790 12.508 1.00 0.00 C ATOM 477 C GLN A 32 9.492 14.117 13.686 1.00 0.00 C ATOM 478 O GLN A 32 9.177 13.800 14.833 1.00 0.00 O ATOM 479 CB GLN A 32 7.706 15.000 12.173 1.00 0.00 C ATOM 480 CG GLN A 32 6.598 14.694 11.177 1.00 0.00 C ATOM 481 CD GLN A 32 5.258 14.466 11.846 1.00 0.00 C ATOM 482 OE1 GLN A 32 5.189 13.997 12.982 1.00 0.00 O ATOM 483 NE2 GLN A 32 4.181 14.800 11.143 1.00 0.00 N ATOM 0 H GLN A 32 7.279 12.662 13.707 1.00 0.00 H new ATOM 0 HA GLN A 32 9.201 13.550 11.646 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.262 15.383 13.092 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.337 15.792 11.770 1.00 0.00 H new ATOM 0 HG2 GLN A 32 6.511 15.520 10.471 1.00 0.00 H new ATOM 0 HG3 GLN A 32 6.867 13.809 10.601 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.284 15.186 10.204 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.251 14.671 11.542 1.00 0.00 H new ATOM 492 N ARG A 33 10.622 14.752 13.394 1.00 0.00 N ATOM 493 CA ARG A 33 11.581 15.120 14.429 1.00 0.00 C ATOM 494 C ARG A 33 12.504 16.233 13.944 1.00 0.00 C ATOM 495 O ARG A 33 13.708 16.204 14.186 1.00 0.00 O ATOM 496 CB ARG A 33 12.408 13.902 14.844 1.00 0.00 C ATOM 497 CG ARG A 33 12.903 13.963 16.280 1.00 0.00 C ATOM 498 CD ARG A 33 14.400 13.706 16.364 1.00 0.00 C ATOM 499 NE ARG A 33 14.703 12.287 16.527 1.00 0.00 N ATOM 500 CZ ARG A 33 15.923 11.777 16.404 1.00 0.00 C ATOM 501 NH1 ARG A 33 16.949 12.567 16.120 1.00 0.00 N ATOM 502 NH2 ARG A 33 16.119 10.475 16.566 1.00 0.00 N ATOM 0 H ARG A 33 10.896 15.022 12.449 1.00 0.00 H new ATOM 0 HA ARG A 33 11.024 15.484 15.292 1.00 0.00 H new ATOM 0 HB2 ARG A 33 11.806 13.003 14.714 1.00 0.00 H new ATOM 0 HB3 ARG A 33 13.265 13.811 14.177 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.676 14.942 16.703 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.372 13.225 16.881 1.00 0.00 H new ATOM 0 HD2 ARG A 33 14.883 14.078 15.461 1.00 0.00 H new ATOM 0 HD3 ARG A 33 14.817 14.264 17.202 1.00 0.00 H new ATOM 0 HE ARG A 33 13.935 11.653 16.747 1.00 0.00 H new ATOM 0 HH11 ARG A 33 16.802 13.569 15.996 1.00 0.00 H new ATOM 0 HH12 ARG A 33 17.885 12.173 16.026 1.00 0.00 H new ATOM 0 HH21 ARG A 33 15.332 9.864 16.785 1.00 0.00 H new ATOM 0 HH22 ARG A 33 17.057 10.085 16.471 1.00 0.00 H new ATOM 516 N ASN A 34 11.928 17.215 13.255 1.00 0.00 N ATOM 517 CA ASN A 34 12.699 18.337 12.736 1.00 0.00 C ATOM 518 C ASN A 34 11.778 19.412 12.166 1.00 0.00 C ATOM 519 O ASN A 34 10.558 19.339 12.308 1.00 0.00 O ATOM 520 CB ASN A 34 13.671 17.859 11.656 1.00 0.00 C ATOM 521 CG ASN A 34 15.087 18.348 11.892 1.00 0.00 C ATOM 522 OD1 ASN A 34 15.297 19.441 12.422 1.00 0.00 O ATOM 523 ND2 ASN A 34 16.066 17.540 11.505 1.00 0.00 N ATOM 0 H ASN A 34 10.931 17.255 13.044 1.00 0.00 H new ATOM 0 HA ASN A 34 13.266 18.768 13.561 1.00 0.00 H new ATOM 0 HB2 ASN A 34 13.667 16.769 11.624 1.00 0.00 H new ATOM 0 HB3 ASN A 34 13.327 18.208 10.682 1.00 0.00 H new ATOM 0 HD21 ASN A 34 17.039 17.815 11.642 1.00 0.00 H new ATOM 0 HD22 ASN A 34 15.846 16.644 11.070 1.00 0.00 H new ATOM 530 N GLY A 35 12.373 20.411 11.518 1.00 0.00 N ATOM 531 CA GLY A 35 11.590 21.487 10.936 1.00 0.00 C ATOM 532 C GLY A 35 10.994 21.109 9.595 1.00 0.00 C ATOM 533 O GLY A 35 9.779 20.956 9.469 1.00 0.00 O ATOM 0 H GLY A 35 13.381 20.494 11.386 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.789 21.762 11.622 1.00 0.00 H new ATOM 0 HA3 GLY A 35 12.221 22.367 10.815 1.00 0.00 H new ATOM 537 N ARG A 36 11.849 20.959 8.589 1.00 0.00 N ATOM 538 CA ARG A 36 11.398 20.600 7.250 1.00 0.00 C ATOM 539 C ARG A 36 11.512 19.095 7.024 1.00 0.00 C ATOM 540 O ARG A 36 10.680 18.494 6.342 1.00 0.00 O ATOM 541 CB ARG A 36 12.218 21.348 6.195 1.00 0.00 C ATOM 542 CG ARG A 36 11.371 22.153 5.224 1.00 0.00 C ATOM 543 CD ARG A 36 12.198 23.206 4.504 1.00 0.00 C ATOM 544 NE ARG A 36 11.890 23.263 3.078 1.00 0.00 N ATOM 545 CZ ARG A 36 10.754 23.744 2.590 1.00 0.00 C ATOM 546 NH1 ARG A 36 9.820 24.210 3.408 1.00 0.00 N ATOM 547 NH2 ARG A 36 10.548 23.761 1.279 1.00 0.00 N ATOM 0 H ARG A 36 12.858 21.081 8.676 1.00 0.00 H new ATOM 0 HA ARG A 36 10.350 20.886 7.157 1.00 0.00 H new ATOM 0 HB2 ARG A 36 12.916 22.018 6.697 1.00 0.00 H new ATOM 0 HB3 ARG A 36 12.815 20.629 5.634 1.00 0.00 H new ATOM 0 HG2 ARG A 36 10.917 21.483 4.494 1.00 0.00 H new ATOM 0 HG3 ARG A 36 10.556 22.635 5.764 1.00 0.00 H new ATOM 0 HD2 ARG A 36 12.014 24.182 4.954 1.00 0.00 H new ATOM 0 HD3 ARG A 36 13.258 22.988 4.638 1.00 0.00 H new ATOM 0 HE ARG A 36 12.587 22.914 2.420 1.00 0.00 H new ATOM 0 HH11 ARG A 36 9.974 24.199 4.416 1.00 0.00 H new ATOM 0 HH12 ARG A 36 8.948 24.579 3.029 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.263 23.404 0.646 1.00 0.00 H new ATOM 0 HH22 ARG A 36 9.674 24.131 0.905 1.00 0.00 H new ATOM 561 N LYS A 37 12.545 18.491 7.600 1.00 0.00 N ATOM 562 CA LYS A 37 12.766 17.056 7.463 1.00 0.00 C ATOM 563 C LYS A 37 11.599 16.266 8.043 1.00 0.00 C ATOM 564 O LYS A 37 11.066 16.611 9.098 1.00 0.00 O ATOM 565 CB LYS A 37 14.067 16.651 8.163 1.00 0.00 C ATOM 566 CG LYS A 37 15.277 17.449 7.705 1.00 0.00 C ATOM 567 CD LYS A 37 15.798 16.954 6.367 1.00 0.00 C ATOM 568 CE LYS A 37 16.057 18.107 5.409 1.00 0.00 C ATOM 569 NZ LYS A 37 17.021 19.090 5.972 1.00 0.00 N ATOM 0 H LYS A 37 13.243 18.973 8.167 1.00 0.00 H new ATOM 0 HA LYS A 37 12.844 16.826 6.400 1.00 0.00 H new ATOM 0 HB2 LYS A 37 13.945 16.776 9.239 1.00 0.00 H new ATOM 0 HB3 LYS A 37 14.252 15.592 7.984 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.010 18.503 7.625 1.00 0.00 H new ATOM 0 HG3 LYS A 37 16.066 17.376 8.453 1.00 0.00 H new ATOM 0 HD2 LYS A 37 16.719 16.392 6.519 1.00 0.00 H new ATOM 0 HD3 LYS A 37 15.076 16.268 5.925 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.444 17.717 4.468 1.00 0.00 H new ATOM 0 HE3 LYS A 37 15.116 18.609 5.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 17.404 19.679 5.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 16.535 19.695 6.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 17.799 18.584 6.441 1.00 0.00 H new ATOM 583 N THR A 38 11.203 15.205 7.347 1.00 0.00 N ATOM 584 CA THR A 38 10.099 14.366 7.795 1.00 0.00 C ATOM 585 C THR A 38 10.423 12.887 7.616 1.00 0.00 C ATOM 586 O THR A 38 11.266 12.521 6.793 1.00 0.00 O ATOM 587 CB THR A 38 8.802 14.691 7.029 1.00 0.00 C ATOM 588 OG1 THR A 38 7.743 13.837 7.474 1.00 0.00 O ATOM 589 CG2 THR A 38 9.000 14.522 5.531 1.00 0.00 C ATOM 0 H THR A 38 11.631 14.906 6.470 1.00 0.00 H new ATOM 0 HA THR A 38 9.951 14.577 8.854 1.00 0.00 H new ATOM 0 HB THR A 38 8.540 15.730 7.229 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.922 14.051 6.984 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.071 14.757 5.012 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.786 15.195 5.190 1.00 0.00 H new ATOM 0 HG23 THR A 38 9.285 13.492 5.316 1.00 0.00 H new ATOM 597 N LEU A 39 9.752 12.041 8.387 1.00 0.00 N ATOM 598 CA LEU A 39 9.968 10.599 8.313 1.00 0.00 C ATOM 599 C LEU A 39 8.640 9.853 8.244 1.00 0.00 C ATOM 600 O LEU A 39 7.598 10.376 8.641 1.00 0.00 O ATOM 601 CB LEU A 39 10.772 10.122 9.524 1.00 0.00 C ATOM 602 CG LEU A 39 12.293 10.245 9.410 1.00 0.00 C ATOM 603 CD1 LEU A 39 12.762 11.588 9.946 1.00 0.00 C ATOM 604 CD2 LEU A 39 12.976 9.105 10.150 1.00 0.00 C ATOM 0 H LEU A 39 9.053 12.327 9.072 1.00 0.00 H new ATOM 0 HA LEU A 39 10.531 10.386 7.404 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.446 10.687 10.397 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.525 9.077 9.710 1.00 0.00 H new ATOM 0 HG LEU A 39 12.566 10.183 8.356 1.00 0.00 H new ATOM 0 HD11 LEU A 39 13.846 11.657 9.857 1.00 0.00 H new ATOM 0 HD12 LEU A 39 12.299 12.391 9.372 1.00 0.00 H new ATOM 0 HD13 LEU A 39 12.478 11.681 10.994 1.00 0.00 H new ATOM 0 HD21 LEU A 39 14.057 9.208 10.059 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.696 9.136 11.203 1.00 0.00 H new ATOM 0 HD23 LEU A 39 12.665 8.153 9.719 1.00 0.00 H new ATOM 616 N THR A 40 8.683 8.624 7.740 1.00 0.00 N ATOM 617 CA THR A 40 7.486 7.803 7.620 1.00 0.00 C ATOM 618 C THR A 40 7.821 6.321 7.729 1.00 0.00 C ATOM 619 O THR A 40 8.781 5.843 7.122 1.00 0.00 O ATOM 620 CB THR A 40 6.762 8.058 6.284 1.00 0.00 C ATOM 621 OG1 THR A 40 5.484 7.410 6.287 1.00 0.00 O ATOM 622 CG2 THR A 40 7.591 7.550 5.114 1.00 0.00 C ATOM 0 H THR A 40 9.536 8.175 7.408 1.00 0.00 H new ATOM 0 HA THR A 40 6.827 8.084 8.442 1.00 0.00 H new ATOM 0 HB THR A 40 6.623 9.133 6.171 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.171 7.299 5.365 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.060 7.741 4.182 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.551 8.066 5.097 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.757 6.478 5.224 1.00 0.00 H new ATOM 630 N THR A 41 7.023 5.594 8.505 1.00 0.00 N ATOM 631 CA THR A 41 7.236 4.164 8.694 1.00 0.00 C ATOM 632 C THR A 41 6.162 3.349 7.980 1.00 0.00 C ATOM 633 O THR A 41 5.004 3.760 7.907 1.00 0.00 O ATOM 634 CB THR A 41 7.241 3.789 10.187 1.00 0.00 C ATOM 635 OG1 THR A 41 6.230 4.528 10.883 1.00 0.00 O ATOM 636 CG2 THR A 41 8.600 4.070 10.812 1.00 0.00 C ATOM 0 H THR A 41 6.223 5.972 9.013 1.00 0.00 H new ATOM 0 HA THR A 41 8.211 3.930 8.266 1.00 0.00 H new ATOM 0 HB THR A 41 7.033 2.722 10.270 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.642 4.969 10.234 1.00 0.00 H new ATOM 0 HG21 THR A 41 8.579 3.797 11.867 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.364 3.484 10.301 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.832 5.131 10.716 1.00 0.00 H new ATOM 644 N VAL A 42 6.555 2.192 7.457 1.00 0.00 N ATOM 645 CA VAL A 42 5.625 1.318 6.751 1.00 0.00 C ATOM 646 C VAL A 42 5.954 -0.149 6.999 1.00 0.00 C ATOM 647 O VAL A 42 7.120 -0.521 7.121 1.00 0.00 O ATOM 648 CB VAL A 42 5.641 1.590 5.235 1.00 0.00 C ATOM 649 CG1 VAL A 42 7.040 1.386 4.672 1.00 0.00 C ATOM 650 CG2 VAL A 42 4.638 0.695 4.524 1.00 0.00 C ATOM 0 H VAL A 42 7.510 1.838 7.509 1.00 0.00 H new ATOM 0 HA VAL A 42 4.630 1.533 7.140 1.00 0.00 H new ATOM 0 HB VAL A 42 5.353 2.628 5.066 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.033 1.582 3.600 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.733 2.070 5.162 1.00 0.00 H new ATOM 0 HG13 VAL A 42 7.358 0.359 4.851 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.662 0.900 3.454 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.894 -0.350 4.699 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.637 0.892 4.909 1.00 0.00 H new ATOM 660 N GLN A 43 4.918 -0.979 7.071 1.00 0.00 N ATOM 661 CA GLN A 43 5.098 -2.407 7.304 1.00 0.00 C ATOM 662 C GLN A 43 4.116 -3.222 6.469 1.00 0.00 C ATOM 663 O GLN A 43 3.140 -2.689 5.942 1.00 0.00 O ATOM 664 CB GLN A 43 4.916 -2.729 8.788 1.00 0.00 C ATOM 665 CG GLN A 43 5.482 -4.082 9.189 1.00 0.00 C ATOM 666 CD GLN A 43 4.419 -5.160 9.265 1.00 0.00 C ATOM 667 OE1 GLN A 43 3.279 -4.898 9.649 1.00 0.00 O ATOM 668 NE2 GLN A 43 4.789 -6.382 8.899 1.00 0.00 N ATOM 0 H GLN A 43 3.946 -0.687 6.971 1.00 0.00 H new ATOM 0 HA GLN A 43 6.111 -2.675 7.003 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.398 -1.952 9.382 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.853 -2.702 9.030 1.00 0.00 H new ATOM 0 HG2 GLN A 43 6.245 -4.380 8.470 1.00 0.00 H new ATOM 0 HG3 GLN A 43 5.974 -3.993 10.158 1.00 0.00 H new ATOM 0 HE21 GLN A 43 5.745 -6.554 8.587 1.00 0.00 H new ATOM 0 HE22 GLN A 43 4.117 -7.149 8.930 1.00 0.00 H new ATOM 677 N GLY A 44 4.379 -4.521 6.353 1.00 0.00 N ATOM 678 CA GLY A 44 3.511 -5.388 5.583 1.00 0.00 C ATOM 679 C GLY A 44 4.112 -5.769 4.243 1.00 0.00 C ATOM 680 O GLY A 44 3.436 -6.349 3.394 1.00 0.00 O ATOM 0 H GLY A 44 5.180 -4.987 6.780 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.305 -6.292 6.156 1.00 0.00 H new ATOM 0 HA3 GLY A 44 2.556 -4.889 5.421 1.00 0.00 H new ATOM 684 N VAL A 45 5.386 -5.441 4.054 1.00 0.00 N ATOM 685 CA VAL A 45 6.078 -5.753 2.809 1.00 0.00 C ATOM 686 C VAL A 45 6.148 -7.258 2.580 1.00 0.00 C ATOM 687 O VAL A 45 6.489 -8.032 3.474 1.00 0.00 O ATOM 688 CB VAL A 45 7.507 -5.176 2.802 1.00 0.00 C ATOM 689 CG1 VAL A 45 8.201 -5.487 1.484 1.00 0.00 C ATOM 690 CG2 VAL A 45 7.477 -3.678 3.058 1.00 0.00 C ATOM 0 H VAL A 45 5.960 -4.960 4.747 1.00 0.00 H new ATOM 0 HA VAL A 45 5.504 -5.293 2.004 1.00 0.00 H new ATOM 0 HB VAL A 45 8.075 -5.647 3.604 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.209 -5.072 1.497 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.255 -6.567 1.347 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.637 -5.045 0.663 1.00 0.00 H new ATOM 0 HG21 VAL A 45 8.494 -3.287 3.050 1.00 0.00 H new ATOM 0 HG22 VAL A 45 6.893 -3.187 2.279 1.00 0.00 H new ATOM 0 HG23 VAL A 45 7.022 -3.484 4.029 1.00 0.00 H new ATOM 700 N PRO A 46 5.817 -7.686 1.352 1.00 0.00 N ATOM 701 CA PRO A 46 5.836 -9.103 0.976 1.00 0.00 C ATOM 702 C PRO A 46 7.252 -9.664 0.897 1.00 0.00 C ATOM 703 O PRO A 46 8.224 -8.959 1.170 1.00 0.00 O ATOM 704 CB PRO A 46 5.178 -9.111 -0.407 1.00 0.00 C ATOM 705 CG PRO A 46 5.420 -7.745 -0.949 1.00 0.00 C ATOM 706 CD PRO A 46 5.401 -6.820 0.237 1.00 0.00 C ATOM 0 HA PRO A 46 5.325 -9.727 1.710 1.00 0.00 H new ATOM 0 HB2 PRO A 46 5.616 -9.875 -1.049 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.112 -9.326 -0.337 1.00 0.00 H new ATOM 0 HG2 PRO A 46 6.377 -7.695 -1.468 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.651 -7.470 -1.671 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.084 -5.981 0.103 1.00 0.00 H new ATOM 0 HD3 PRO A 46 4.409 -6.400 0.403 1.00 0.00 H new ATOM 714 N GLU A 47 7.360 -10.935 0.521 1.00 0.00 N ATOM 715 CA GLU A 47 8.658 -11.588 0.408 1.00 0.00 C ATOM 716 C GLU A 47 9.339 -11.219 -0.906 1.00 0.00 C ATOM 717 O GLU A 47 10.566 -11.154 -0.984 1.00 0.00 O ATOM 718 CB GLU A 47 8.500 -13.107 0.504 1.00 0.00 C ATOM 719 CG GLU A 47 9.699 -13.807 1.120 1.00 0.00 C ATOM 720 CD GLU A 47 9.760 -13.643 2.626 1.00 0.00 C ATOM 721 OE1 GLU A 47 8.928 -12.893 3.176 1.00 0.00 O ATOM 722 OE2 GLU A 47 10.641 -14.268 3.254 1.00 0.00 O ATOM 0 H GLU A 47 6.565 -11.531 0.290 1.00 0.00 H new ATOM 0 HA GLU A 47 9.283 -11.242 1.231 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.614 -13.335 1.096 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.329 -13.510 -0.494 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.661 -14.868 0.875 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.613 -13.411 0.678 1.00 0.00 H new ATOM 729 N GLU A 48 8.535 -10.979 -1.937 1.00 0.00 N ATOM 730 CA GLU A 48 9.060 -10.618 -3.247 1.00 0.00 C ATOM 731 C GLU A 48 9.804 -9.286 -3.188 1.00 0.00 C ATOM 732 O GLU A 48 10.547 -8.936 -4.106 1.00 0.00 O ATOM 733 CB GLU A 48 7.926 -10.535 -4.271 1.00 0.00 C ATOM 734 CG GLU A 48 8.168 -11.369 -5.517 1.00 0.00 C ATOM 735 CD GLU A 48 6.926 -11.510 -6.376 1.00 0.00 C ATOM 736 OE1 GLU A 48 5.867 -11.884 -5.831 1.00 0.00 O ATOM 737 OE2 GLU A 48 7.013 -11.244 -7.593 1.00 0.00 O ATOM 0 H GLU A 48 7.517 -11.028 -1.889 1.00 0.00 H new ATOM 0 HA GLU A 48 9.762 -11.394 -3.554 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.999 -10.861 -3.800 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.787 -9.494 -4.562 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.963 -10.912 -6.107 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.517 -12.359 -5.225 1.00 0.00 H new ATOM 744 N TYR A 49 9.598 -8.549 -2.103 1.00 0.00 N ATOM 745 CA TYR A 49 10.246 -7.255 -1.923 1.00 0.00 C ATOM 746 C TYR A 49 11.003 -7.203 -0.600 1.00 0.00 C ATOM 747 O TYR A 49 10.403 -7.061 0.466 1.00 0.00 O ATOM 748 CB TYR A 49 9.210 -6.131 -1.977 1.00 0.00 C ATOM 749 CG TYR A 49 9.669 -4.922 -2.760 1.00 0.00 C ATOM 750 CD1 TYR A 49 11.003 -4.529 -2.752 1.00 0.00 C ATOM 751 CD2 TYR A 49 8.770 -4.173 -3.510 1.00 0.00 C ATOM 752 CE1 TYR A 49 11.425 -3.423 -3.465 1.00 0.00 C ATOM 753 CE2 TYR A 49 9.185 -3.068 -4.227 1.00 0.00 C ATOM 754 CZ TYR A 49 10.512 -2.697 -4.201 1.00 0.00 C ATOM 755 OH TYR A 49 10.931 -1.597 -4.915 1.00 0.00 O ATOM 0 H TYR A 49 8.987 -8.825 -1.334 1.00 0.00 H new ATOM 0 HA TYR A 49 10.962 -7.120 -2.734 1.00 0.00 H new ATOM 0 HB2 TYR A 49 8.292 -6.515 -2.423 1.00 0.00 H new ATOM 0 HB3 TYR A 49 8.966 -5.824 -0.960 1.00 0.00 H new ATOM 0 HD1 TYR A 49 11.721 -5.097 -2.179 1.00 0.00 H new ATOM 0 HD2 TYR A 49 7.729 -4.460 -3.532 1.00 0.00 H new ATOM 0 HE1 TYR A 49 12.464 -3.129 -3.446 1.00 0.00 H new ATOM 0 HE2 TYR A 49 8.473 -2.498 -4.805 1.00 0.00 H new ATOM 0 HH TYR A 49 10.166 -1.198 -5.380 1.00 0.00 H new ATOM 765 N ASP A 50 12.324 -7.319 -0.676 1.00 0.00 N ATOM 766 CA ASP A 50 13.164 -7.283 0.515 1.00 0.00 C ATOM 767 C ASP A 50 13.560 -5.850 0.859 1.00 0.00 C ATOM 768 O ASP A 50 13.318 -4.925 0.082 1.00 0.00 O ATOM 769 CB ASP A 50 14.417 -8.135 0.307 1.00 0.00 C ATOM 770 CG ASP A 50 14.608 -9.161 1.406 1.00 0.00 C ATOM 771 OD1 ASP A 50 14.848 -8.755 2.563 1.00 0.00 O ATOM 772 OD2 ASP A 50 14.517 -10.372 1.111 1.00 0.00 O ATOM 0 H ASP A 50 12.836 -7.439 -1.550 1.00 0.00 H new ATOM 0 HA ASP A 50 12.590 -7.691 1.346 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.351 -8.645 -0.654 1.00 0.00 H new ATOM 0 HB3 ASP A 50 15.291 -7.486 0.264 1.00 0.00 H new ATOM 777 N LEU A 51 14.171 -5.674 2.025 1.00 0.00 N ATOM 778 CA LEU A 51 14.600 -4.353 2.472 1.00 0.00 C ATOM 779 C LEU A 51 15.781 -3.856 1.644 1.00 0.00 C ATOM 780 O LEU A 51 16.028 -2.652 1.557 1.00 0.00 O ATOM 781 CB LEU A 51 14.982 -4.394 3.952 1.00 0.00 C ATOM 782 CG LEU A 51 14.044 -3.654 4.908 1.00 0.00 C ATOM 783 CD1 LEU A 51 14.120 -2.154 4.674 1.00 0.00 C ATOM 784 CD2 LEU A 51 12.615 -4.151 4.744 1.00 0.00 C ATOM 0 H LEU A 51 14.381 -6.429 2.678 1.00 0.00 H new ATOM 0 HA LEU A 51 13.768 -3.662 2.337 1.00 0.00 H new ATOM 0 HB2 LEU A 51 15.037 -5.437 4.264 1.00 0.00 H new ATOM 0 HB3 LEU A 51 15.983 -3.976 4.060 1.00 0.00 H new ATOM 0 HG LEU A 51 14.362 -3.858 5.930 1.00 0.00 H new ATOM 0 HD11 LEU A 51 13.446 -1.644 5.363 1.00 0.00 H new ATOM 0 HD12 LEU A 51 15.141 -1.811 4.843 1.00 0.00 H new ATOM 0 HD13 LEU A 51 13.828 -1.931 3.648 1.00 0.00 H new ATOM 0 HD21 LEU A 51 11.962 -3.614 5.432 1.00 0.00 H new ATOM 0 HD22 LEU A 51 12.285 -3.978 3.720 1.00 0.00 H new ATOM 0 HD23 LEU A 51 12.573 -5.218 4.963 1.00 0.00 H new ATOM 796 N LYS A 52 16.505 -4.788 1.034 1.00 0.00 N ATOM 797 CA LYS A 52 17.657 -4.445 0.211 1.00 0.00 C ATOM 798 C LYS A 52 17.218 -4.000 -1.181 1.00 0.00 C ATOM 799 O LYS A 52 17.840 -3.131 -1.790 1.00 0.00 O ATOM 800 CB LYS A 52 18.606 -5.641 0.100 1.00 0.00 C ATOM 801 CG LYS A 52 19.942 -5.302 -0.535 1.00 0.00 C ATOM 802 CD LYS A 52 21.104 -5.803 0.306 1.00 0.00 C ATOM 803 CE LYS A 52 22.231 -6.340 -0.562 1.00 0.00 C ATOM 804 NZ LYS A 52 23.546 -6.270 0.131 1.00 0.00 N ATOM 0 H LYS A 52 16.313 -5.788 1.095 1.00 0.00 H new ATOM 0 HA LYS A 52 18.180 -3.618 0.690 1.00 0.00 H new ATOM 0 HB2 LYS A 52 18.780 -6.049 1.096 1.00 0.00 H new ATOM 0 HB3 LYS A 52 18.123 -6.424 -0.486 1.00 0.00 H new ATOM 0 HG2 LYS A 52 19.995 -5.744 -1.530 1.00 0.00 H new ATOM 0 HG3 LYS A 52 20.022 -4.222 -0.661 1.00 0.00 H new ATOM 0 HD2 LYS A 52 21.479 -4.992 0.930 1.00 0.00 H new ATOM 0 HD3 LYS A 52 20.756 -6.587 0.978 1.00 0.00 H new ATOM 0 HE2 LYS A 52 22.019 -7.374 -0.834 1.00 0.00 H new ATOM 0 HE3 LYS A 52 22.278 -5.769 -1.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 24.288 -6.645 -0.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 23.761 -5.281 0.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 23.509 -6.835 1.003 1.00 0.00 H new ATOM 818 N ARG A 53 16.143 -4.603 -1.677 1.00 0.00 N ATOM 819 CA ARG A 53 15.620 -4.268 -2.997 1.00 0.00 C ATOM 820 C ARG A 53 14.908 -2.919 -2.974 1.00 0.00 C ATOM 821 O ARG A 53 14.962 -2.162 -3.943 1.00 0.00 O ATOM 822 CB ARG A 53 14.658 -5.356 -3.480 1.00 0.00 C ATOM 823 CG ARG A 53 14.303 -5.246 -4.952 1.00 0.00 C ATOM 824 CD ARG A 53 15.198 -6.128 -5.810 1.00 0.00 C ATOM 825 NE ARG A 53 14.448 -7.199 -6.460 1.00 0.00 N ATOM 826 CZ ARG A 53 15.019 -8.222 -7.085 1.00 0.00 C ATOM 827 NH1 ARG A 53 16.341 -8.312 -7.143 1.00 0.00 N ATOM 828 NH2 ARG A 53 14.269 -9.158 -7.653 1.00 0.00 N ATOM 0 H ARG A 53 15.617 -5.326 -1.186 1.00 0.00 H new ATOM 0 HA ARG A 53 16.461 -4.204 -3.687 1.00 0.00 H new ATOM 0 HB2 ARG A 53 15.105 -6.333 -3.295 1.00 0.00 H new ATOM 0 HB3 ARG A 53 13.743 -5.308 -2.890 1.00 0.00 H new ATOM 0 HG2 ARG A 53 13.261 -5.532 -5.098 1.00 0.00 H new ATOM 0 HG3 ARG A 53 14.397 -4.209 -5.273 1.00 0.00 H new ATOM 0 HD2 ARG A 53 15.689 -5.518 -6.568 1.00 0.00 H new ATOM 0 HD3 ARG A 53 15.983 -6.560 -5.190 1.00 0.00 H new ATOM 0 HE ARG A 53 13.429 -7.159 -6.432 1.00 0.00 H new ATOM 0 HH11 ARG A 53 16.921 -7.595 -6.707 1.00 0.00 H new ATOM 0 HH12 ARG A 53 16.778 -9.098 -7.623 1.00 0.00 H new ATOM 0 HH21 ARG A 53 13.252 -9.092 -7.610 1.00 0.00 H new ATOM 0 HH22 ARG A 53 14.710 -9.943 -8.133 1.00 0.00 H new ATOM 842 N ILE A 54 14.241 -2.627 -1.862 1.00 0.00 N ATOM 843 CA ILE A 54 13.520 -1.369 -1.713 1.00 0.00 C ATOM 844 C ILE A 54 14.467 -0.233 -1.338 1.00 0.00 C ATOM 845 O ILE A 54 14.261 0.916 -1.732 1.00 0.00 O ATOM 846 CB ILE A 54 12.416 -1.476 -0.646 1.00 0.00 C ATOM 847 CG1 ILE A 54 11.593 -0.187 -0.599 1.00 0.00 C ATOM 848 CG2 ILE A 54 13.025 -1.773 0.717 1.00 0.00 C ATOM 849 CD1 ILE A 54 10.104 -0.416 -0.709 1.00 0.00 C ATOM 0 H ILE A 54 14.185 -3.244 -1.052 1.00 0.00 H new ATOM 0 HA ILE A 54 13.061 -1.152 -2.678 1.00 0.00 H new ATOM 0 HB ILE A 54 11.752 -2.298 -0.913 1.00 0.00 H new ATOM 0 HG12 ILE A 54 11.804 0.335 0.334 1.00 0.00 H new ATOM 0 HG13 ILE A 54 11.912 0.468 -1.410 1.00 0.00 H new ATOM 0 HG21 ILE A 54 12.232 -1.846 1.462 1.00 0.00 H new ATOM 0 HG22 ILE A 54 13.570 -2.716 0.674 1.00 0.00 H new ATOM 0 HG23 ILE A 54 13.709 -0.970 0.993 1.00 0.00 H new ATOM 0 HD11 ILE A 54 9.585 0.541 -0.668 1.00 0.00 H new ATOM 0 HD12 ILE A 54 9.881 -0.910 -1.655 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.771 -1.045 0.117 1.00 0.00 H new ATOM 861 N LEU A 55 15.504 -0.562 -0.577 1.00 0.00 N ATOM 862 CA LEU A 55 16.484 0.429 -0.149 1.00 0.00 C ATOM 863 C LEU A 55 17.405 0.817 -1.302 1.00 0.00 C ATOM 864 O LEU A 55 17.882 1.950 -1.376 1.00 0.00 O ATOM 865 CB LEU A 55 17.311 -0.112 1.018 1.00 0.00 C ATOM 866 CG LEU A 55 18.363 0.837 1.594 1.00 0.00 C ATOM 867 CD1 LEU A 55 19.637 0.790 0.763 1.00 0.00 C ATOM 868 CD2 LEU A 55 17.820 2.257 1.659 1.00 0.00 C ATOM 0 H LEU A 55 15.688 -1.508 -0.243 1.00 0.00 H new ATOM 0 HA LEU A 55 15.945 1.318 0.178 1.00 0.00 H new ATOM 0 HB2 LEU A 55 16.629 -0.395 1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 55 17.813 -1.022 0.690 1.00 0.00 H new ATOM 0 HG LEU A 55 18.602 0.513 2.607 1.00 0.00 H new ATOM 0 HD11 LEU A 55 20.374 1.472 1.188 1.00 0.00 H new ATOM 0 HD12 LEU A 55 20.036 -0.224 0.766 1.00 0.00 H new ATOM 0 HD13 LEU A 55 19.415 1.089 -0.261 1.00 0.00 H new ATOM 0 HD21 LEU A 55 18.581 2.919 2.071 1.00 0.00 H new ATOM 0 HD22 LEU A 55 17.553 2.591 0.656 1.00 0.00 H new ATOM 0 HD23 LEU A 55 16.936 2.280 2.296 1.00 0.00 H new ATOM 880 N LYS A 56 17.648 -0.128 -2.202 1.00 0.00 N ATOM 881 CA LYS A 56 18.508 0.115 -3.355 1.00 0.00 C ATOM 882 C LYS A 56 17.752 0.857 -4.452 1.00 0.00 C ATOM 883 O LYS A 56 18.305 1.732 -5.116 1.00 0.00 O ATOM 884 CB LYS A 56 19.050 -1.210 -3.901 1.00 0.00 C ATOM 885 CG LYS A 56 20.044 -1.038 -5.036 1.00 0.00 C ATOM 886 CD LYS A 56 20.884 -2.287 -5.235 1.00 0.00 C ATOM 887 CE LYS A 56 22.305 -1.943 -5.654 1.00 0.00 C ATOM 888 NZ LYS A 56 23.224 -3.107 -5.512 1.00 0.00 N ATOM 0 H LYS A 56 17.262 -1.071 -2.156 1.00 0.00 H new ATOM 0 HA LYS A 56 19.342 0.736 -3.030 1.00 0.00 H new ATOM 0 HB2 LYS A 56 19.529 -1.759 -3.090 1.00 0.00 H new ATOM 0 HB3 LYS A 56 18.215 -1.819 -4.249 1.00 0.00 H new ATOM 0 HG2 LYS A 56 19.509 -0.807 -5.957 1.00 0.00 H new ATOM 0 HG3 LYS A 56 20.696 -0.190 -4.825 1.00 0.00 H new ATOM 0 HD2 LYS A 56 20.906 -2.863 -4.310 1.00 0.00 H new ATOM 0 HD3 LYS A 56 20.423 -2.920 -5.994 1.00 0.00 H new ATOM 0 HE2 LYS A 56 22.306 -1.604 -6.690 1.00 0.00 H new ATOM 0 HE3 LYS A 56 22.672 -1.115 -5.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 24.182 -2.831 -5.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 23.243 -3.415 -4.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 22.889 -3.889 -6.110 1.00 0.00 H new ATOM 902 N VAL A 57 16.484 0.501 -4.634 1.00 0.00 N ATOM 903 CA VAL A 57 15.650 1.137 -5.648 1.00 0.00 C ATOM 904 C VAL A 57 15.231 2.537 -5.216 1.00 0.00 C ATOM 905 O VAL A 57 15.149 3.454 -6.034 1.00 0.00 O ATOM 906 CB VAL A 57 14.390 0.301 -5.942 1.00 0.00 C ATOM 907 CG1 VAL A 57 13.435 1.074 -6.838 1.00 0.00 C ATOM 908 CG2 VAL A 57 14.769 -1.029 -6.575 1.00 0.00 C ATOM 0 H VAL A 57 16.012 -0.224 -4.093 1.00 0.00 H new ATOM 0 HA VAL A 57 16.250 1.206 -6.555 1.00 0.00 H new ATOM 0 HB VAL A 57 13.882 0.097 -5.000 1.00 0.00 H new ATOM 0 HG11 VAL A 57 12.551 0.468 -7.035 1.00 0.00 H new ATOM 0 HG12 VAL A 57 13.139 1.998 -6.342 1.00 0.00 H new ATOM 0 HG13 VAL A 57 13.930 1.310 -7.780 1.00 0.00 H new ATOM 0 HG21 VAL A 57 13.867 -1.607 -6.776 1.00 0.00 H new ATOM 0 HG22 VAL A 57 15.300 -0.849 -7.510 1.00 0.00 H new ATOM 0 HG23 VAL A 57 15.412 -1.586 -5.894 1.00 0.00 H new ATOM 918 N LEU A 58 14.963 2.696 -3.924 1.00 0.00 N ATOM 919 CA LEU A 58 14.550 3.986 -3.382 1.00 0.00 C ATOM 920 C LEU A 58 15.714 4.973 -3.377 1.00 0.00 C ATOM 921 O LEU A 58 15.564 6.128 -3.773 1.00 0.00 O ATOM 922 CB LEU A 58 14.008 3.815 -1.962 1.00 0.00 C ATOM 923 CG LEU A 58 12.585 3.262 -1.850 1.00 0.00 C ATOM 924 CD1 LEU A 58 12.249 2.946 -0.401 1.00 0.00 C ATOM 925 CD2 LEU A 58 11.583 4.252 -2.425 1.00 0.00 C ATOM 0 H LEU A 58 15.024 1.948 -3.233 1.00 0.00 H new ATOM 0 HA LEU A 58 13.762 4.384 -4.021 1.00 0.00 H new ATOM 0 HB2 LEU A 58 14.679 3.152 -1.416 1.00 0.00 H new ATOM 0 HB3 LEU A 58 14.041 4.783 -1.463 1.00 0.00 H new ATOM 0 HG LEU A 58 12.528 2.339 -2.426 1.00 0.00 H new ATOM 0 HD11 LEU A 58 11.234 2.554 -0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 58 12.949 2.203 -0.019 1.00 0.00 H new ATOM 0 HD13 LEU A 58 12.323 3.855 0.196 1.00 0.00 H new ATOM 0 HD21 LEU A 58 10.576 3.843 -2.337 1.00 0.00 H new ATOM 0 HD22 LEU A 58 11.642 5.191 -1.875 1.00 0.00 H new ATOM 0 HD23 LEU A 58 11.811 4.432 -3.475 1.00 0.00 H new ATOM 937 N LYS A 59 16.876 4.507 -2.930 1.00 0.00 N ATOM 938 CA LYS A 59 18.067 5.346 -2.877 1.00 0.00 C ATOM 939 C LYS A 59 18.555 5.687 -4.282 1.00 0.00 C ATOM 940 O LYS A 59 19.089 6.771 -4.518 1.00 0.00 O ATOM 941 CB LYS A 59 19.178 4.639 -2.097 1.00 0.00 C ATOM 942 CG LYS A 59 19.049 4.781 -0.591 1.00 0.00 C ATOM 943 CD LYS A 59 19.636 6.095 -0.101 1.00 0.00 C ATOM 944 CE LYS A 59 20.356 5.922 1.227 1.00 0.00 C ATOM 945 NZ LYS A 59 21.836 5.954 1.063 1.00 0.00 N ATOM 0 H LYS A 59 17.018 3.553 -2.599 1.00 0.00 H new ATOM 0 HA LYS A 59 17.806 6.273 -2.367 1.00 0.00 H new ATOM 0 HB2 LYS A 59 19.174 3.580 -2.355 1.00 0.00 H new ATOM 0 HB3 LYS A 59 20.142 5.040 -2.410 1.00 0.00 H new ATOM 0 HG2 LYS A 59 17.998 4.723 -0.308 1.00 0.00 H new ATOM 0 HG3 LYS A 59 19.557 3.950 -0.102 1.00 0.00 H new ATOM 0 HD2 LYS A 59 20.331 6.484 -0.845 1.00 0.00 H new ATOM 0 HD3 LYS A 59 18.840 6.832 0.008 1.00 0.00 H new ATOM 0 HE2 LYS A 59 20.049 6.712 1.912 1.00 0.00 H new ATOM 0 HE3 LYS A 59 20.061 4.975 1.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 22.291 5.833 1.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 22.132 5.184 0.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 22.120 6.867 0.655 1.00 0.00 H new ATOM 959 N LYS A 60 18.365 4.757 -5.211 1.00 0.00 N ATOM 960 CA LYS A 60 18.783 4.959 -6.593 1.00 0.00 C ATOM 961 C LYS A 60 17.742 5.767 -7.363 1.00 0.00 C ATOM 962 O LYS A 60 18.069 6.455 -8.330 1.00 0.00 O ATOM 963 CB LYS A 60 19.010 3.612 -7.281 1.00 0.00 C ATOM 964 CG LYS A 60 20.292 2.918 -6.854 1.00 0.00 C ATOM 965 CD LYS A 60 21.356 2.997 -7.938 1.00 0.00 C ATOM 966 CE LYS A 60 22.275 4.191 -7.729 1.00 0.00 C ATOM 967 NZ LYS A 60 23.035 4.091 -6.451 1.00 0.00 N ATOM 0 H LYS A 60 17.924 3.855 -5.032 1.00 0.00 H new ATOM 0 HA LYS A 60 19.719 5.518 -6.586 1.00 0.00 H new ATOM 0 HB2 LYS A 60 18.165 2.958 -7.068 1.00 0.00 H new ATOM 0 HB3 LYS A 60 19.031 3.764 -8.360 1.00 0.00 H new ATOM 0 HG2 LYS A 60 20.668 3.377 -5.939 1.00 0.00 H new ATOM 0 HG3 LYS A 60 20.082 1.873 -6.624 1.00 0.00 H new ATOM 0 HD2 LYS A 60 21.944 2.079 -7.940 1.00 0.00 H new ATOM 0 HD3 LYS A 60 20.878 3.071 -8.915 1.00 0.00 H new ATOM 0 HE2 LYS A 60 22.974 4.261 -8.562 1.00 0.00 H new ATOM 0 HE3 LYS A 60 21.685 5.108 -7.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 23.944 4.587 -6.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 22.483 4.526 -5.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 23.209 3.090 -6.228 1.00 0.00 H new ATOM 981 N ASP A 61 16.492 5.679 -6.927 1.00 0.00 N ATOM 982 CA ASP A 61 15.403 6.403 -7.574 1.00 0.00 C ATOM 983 C ASP A 61 15.515 7.901 -7.308 1.00 0.00 C ATOM 984 O ASP A 61 15.779 8.686 -8.219 1.00 0.00 O ATOM 985 CB ASP A 61 14.052 5.884 -7.081 1.00 0.00 C ATOM 986 CG ASP A 61 12.901 6.776 -7.500 1.00 0.00 C ATOM 987 OD1 ASP A 61 12.943 7.305 -8.631 1.00 0.00 O ATOM 988 OD2 ASP A 61 11.957 6.946 -6.700 1.00 0.00 O ATOM 0 H ASP A 61 16.206 5.113 -6.128 1.00 0.00 H new ATOM 0 HA ASP A 61 15.476 6.236 -8.649 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.889 4.879 -7.469 1.00 0.00 H new ATOM 0 HB3 ASP A 61 14.071 5.807 -5.994 1.00 0.00 H new ATOM 993 N PHE A 62 15.310 8.292 -6.054 1.00 0.00 N ATOM 994 CA PHE A 62 15.385 9.695 -5.668 1.00 0.00 C ATOM 995 C PHE A 62 16.059 9.851 -4.308 1.00 0.00 C ATOM 996 O PHE A 62 15.707 10.732 -3.526 1.00 0.00 O ATOM 997 CB PHE A 62 13.986 10.311 -5.630 1.00 0.00 C ATOM 998 CG PHE A 62 13.348 10.435 -6.984 1.00 0.00 C ATOM 999 CD1 PHE A 62 13.994 11.104 -8.010 1.00 0.00 C ATOM 1000 CD2 PHE A 62 12.101 9.882 -7.230 1.00 0.00 C ATOM 1001 CE1 PHE A 62 13.410 11.219 -9.259 1.00 0.00 C ATOM 1002 CE2 PHE A 62 11.513 9.992 -8.476 1.00 0.00 C ATOM 1003 CZ PHE A 62 12.168 10.663 -9.491 1.00 0.00 C ATOM 0 H PHE A 62 15.090 7.655 -5.288 1.00 0.00 H new ATOM 0 HA PHE A 62 15.985 10.218 -6.413 1.00 0.00 H new ATOM 0 HB2 PHE A 62 13.347 9.702 -4.991 1.00 0.00 H new ATOM 0 HB3 PHE A 62 14.045 11.299 -5.173 1.00 0.00 H new ATOM 0 HD1 PHE A 62 14.966 11.541 -7.833 1.00 0.00 H new ATOM 0 HD2 PHE A 62 11.583 9.359 -6.439 1.00 0.00 H new ATOM 0 HE1 PHE A 62 13.925 11.743 -10.051 1.00 0.00 H new ATOM 0 HE2 PHE A 62 10.542 9.554 -8.656 1.00 0.00 H new ATOM 0 HZ PHE A 62 11.709 10.752 -10.464 1.00 0.00 H new ATOM 1013 N ALA A 63 17.030 8.985 -4.033 1.00 0.00 N ATOM 1014 CA ALA A 63 17.754 9.026 -2.768 1.00 0.00 C ATOM 1015 C ALA A 63 16.792 9.059 -1.586 1.00 0.00 C ATOM 1016 O ALA A 63 16.724 10.050 -0.856 1.00 0.00 O ATOM 1017 CB ALA A 63 18.682 10.230 -2.730 1.00 0.00 C ATOM 0 H ALA A 63 17.333 8.247 -4.669 1.00 0.00 H new ATOM 0 HA ALA A 63 18.352 8.118 -2.690 1.00 0.00 H new ATOM 0 HB1 ALA A 63 19.216 10.248 -1.780 1.00 0.00 H new ATOM 0 HB2 ALA A 63 19.399 10.163 -3.548 1.00 0.00 H new ATOM 0 HB3 ALA A 63 18.097 11.144 -2.835 1.00 0.00 H new ATOM 1023 N CYS A 64 16.048 7.974 -1.403 1.00 0.00 N ATOM 1024 CA CYS A 64 15.089 7.880 -0.308 1.00 0.00 C ATOM 1025 C CYS A 64 15.586 6.925 0.771 1.00 0.00 C ATOM 1026 O CYS A 64 15.411 5.711 0.668 1.00 0.00 O ATOM 1027 CB CYS A 64 13.730 7.414 -0.833 1.00 0.00 C ATOM 1028 SG CYS A 64 12.450 8.691 -0.808 1.00 0.00 S ATOM 0 H CYS A 64 16.090 7.147 -1.999 1.00 0.00 H new ATOM 0 HA CYS A 64 14.980 8.871 0.133 1.00 0.00 H new ATOM 0 HB2 CYS A 64 13.851 7.056 -1.856 1.00 0.00 H new ATOM 0 HB3 CYS A 64 13.394 6.566 -0.236 1.00 0.00 H new ATOM 0 HG CYS A 64 11.339 8.201 -1.273 1.00 0.00 H new ATOM 1034 N ASN A 65 16.208 7.481 1.806 1.00 0.00 N ATOM 1035 CA ASN A 65 16.733 6.678 2.903 1.00 0.00 C ATOM 1036 C ASN A 65 15.652 5.765 3.475 1.00 0.00 C ATOM 1037 O ASN A 65 14.793 6.207 4.239 1.00 0.00 O ATOM 1038 CB ASN A 65 17.290 7.583 4.005 1.00 0.00 C ATOM 1039 CG ASN A 65 18.793 7.464 4.146 1.00 0.00 C ATOM 1040 OD1 ASN A 65 19.349 6.367 4.088 1.00 0.00 O ATOM 1041 ND2 ASN A 65 19.461 8.597 4.333 1.00 0.00 N ATOM 0 H ASN A 65 16.360 8.484 1.907 1.00 0.00 H new ATOM 0 HA ASN A 65 17.538 6.056 2.512 1.00 0.00 H new ATOM 0 HB2 ASN A 65 17.029 8.619 3.787 1.00 0.00 H new ATOM 0 HB3 ASN A 65 16.818 7.328 4.954 1.00 0.00 H new ATOM 0 HD21 ASN A 65 20.476 8.580 4.435 1.00 0.00 H new ATOM 0 HD22 ASN A 65 18.959 9.484 4.375 1.00 0.00 H new ATOM 1048 N GLY A 66 15.701 4.490 3.102 1.00 0.00 N ATOM 1049 CA GLY A 66 14.722 3.537 3.587 1.00 0.00 C ATOM 1050 C GLY A 66 15.350 2.429 4.411 1.00 0.00 C ATOM 1051 O GLY A 66 15.693 1.373 3.882 1.00 0.00 O ATOM 0 H GLY A 66 16.402 4.100 2.472 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.980 4.059 4.191 1.00 0.00 H new ATOM 0 HA3 GLY A 66 14.193 3.100 2.740 1.00 0.00 H new ATOM 1055 N ASN A 67 15.501 2.671 5.709 1.00 0.00 N ATOM 1056 CA ASN A 67 16.094 1.687 6.606 1.00 0.00 C ATOM 1057 C ASN A 67 15.016 0.826 7.257 1.00 0.00 C ATOM 1058 O ASN A 67 13.826 0.998 6.992 1.00 0.00 O ATOM 1059 CB ASN A 67 16.926 2.385 7.684 1.00 0.00 C ATOM 1060 CG ASN A 67 17.630 3.623 7.161 1.00 0.00 C ATOM 1061 OD1 ASN A 67 17.092 4.729 7.224 1.00 0.00 O ATOM 1062 ND2 ASN A 67 18.838 3.440 6.641 1.00 0.00 N ATOM 0 H ASN A 67 15.221 3.540 6.163 1.00 0.00 H new ATOM 0 HA ASN A 67 16.744 1.040 6.017 1.00 0.00 H new ATOM 0 HB2 ASN A 67 16.278 2.663 8.516 1.00 0.00 H new ATOM 0 HB3 ASN A 67 17.666 1.688 8.076 1.00 0.00 H new ATOM 0 HD21 ASN A 67 19.360 4.235 6.272 1.00 0.00 H new ATOM 0 HD22 ASN A 67 19.244 2.505 6.610 1.00 0.00 H new ATOM 1069 N ILE A 68 15.441 -0.099 8.111 1.00 0.00 N ATOM 1070 CA ILE A 68 14.513 -0.986 8.802 1.00 0.00 C ATOM 1071 C ILE A 68 14.681 -0.887 10.314 1.00 0.00 C ATOM 1072 O ILE A 68 15.765 -0.580 10.811 1.00 0.00 O ATOM 1073 CB ILE A 68 14.706 -2.450 8.370 1.00 0.00 C ATOM 1074 CG1 ILE A 68 13.476 -3.282 8.741 1.00 0.00 C ATOM 1075 CG2 ILE A 68 15.957 -3.031 9.010 1.00 0.00 C ATOM 1076 CD1 ILE A 68 13.541 -4.710 8.249 1.00 0.00 C ATOM 0 H ILE A 68 16.423 -0.254 8.341 1.00 0.00 H new ATOM 0 HA ILE A 68 13.508 -0.665 8.529 1.00 0.00 H new ATOM 0 HB ILE A 68 14.828 -2.480 7.287 1.00 0.00 H new ATOM 0 HG12 ILE A 68 13.363 -3.285 9.825 1.00 0.00 H new ATOM 0 HG13 ILE A 68 12.587 -2.805 8.329 1.00 0.00 H new ATOM 0 HG21 ILE A 68 16.079 -4.067 8.695 1.00 0.00 H new ATOM 0 HG22 ILE A 68 16.827 -2.452 8.700 1.00 0.00 H new ATOM 0 HG23 ILE A 68 15.863 -2.991 10.095 1.00 0.00 H new ATOM 0 HD11 ILE A 68 12.636 -5.239 8.548 1.00 0.00 H new ATOM 0 HD12 ILE A 68 13.623 -4.717 7.162 1.00 0.00 H new ATOM 0 HD13 ILE A 68 14.411 -5.205 8.681 1.00 0.00 H new ATOM 1088 N VAL A 69 13.600 -1.152 11.043 1.00 0.00 N ATOM 1089 CA VAL A 69 13.628 -1.096 12.499 1.00 0.00 C ATOM 1090 C VAL A 69 12.814 -2.231 13.108 1.00 0.00 C ATOM 1091 O VAL A 69 12.076 -2.926 12.409 1.00 0.00 O ATOM 1092 CB VAL A 69 13.086 0.248 13.020 1.00 0.00 C ATOM 1093 CG1 VAL A 69 13.719 0.596 14.358 1.00 0.00 C ATOM 1094 CG2 VAL A 69 13.330 1.352 12.002 1.00 0.00 C ATOM 0 H VAL A 69 12.695 -1.407 10.648 1.00 0.00 H new ATOM 0 HA VAL A 69 14.671 -1.199 12.800 1.00 0.00 H new ATOM 0 HB VAL A 69 12.010 0.153 13.168 1.00 0.00 H new ATOM 0 HG11 VAL A 69 13.324 1.549 14.711 1.00 0.00 H new ATOM 0 HG12 VAL A 69 13.488 -0.184 15.084 1.00 0.00 H new ATOM 0 HG13 VAL A 69 14.800 0.673 14.240 1.00 0.00 H new ATOM 0 HG21 VAL A 69 12.941 2.294 12.387 1.00 0.00 H new ATOM 0 HG22 VAL A 69 14.400 1.449 11.820 1.00 0.00 H new ATOM 0 HG23 VAL A 69 12.824 1.105 11.069 1.00 0.00 H new ATOM 1104 N LYS A 70 12.950 -2.415 14.416 1.00 0.00 N ATOM 1105 CA LYS A 70 12.225 -3.465 15.123 1.00 0.00 C ATOM 1106 C LYS A 70 11.415 -2.883 16.278 1.00 0.00 C ATOM 1107 O LYS A 70 11.976 -2.442 17.281 1.00 0.00 O ATOM 1108 CB LYS A 70 13.200 -4.521 15.649 1.00 0.00 C ATOM 1109 CG LYS A 70 12.518 -5.667 16.378 1.00 0.00 C ATOM 1110 CD LYS A 70 13.391 -6.213 17.496 1.00 0.00 C ATOM 1111 CE LYS A 70 14.672 -6.827 16.954 1.00 0.00 C ATOM 1112 NZ LYS A 70 15.407 -7.590 18.001 1.00 0.00 N ATOM 0 H LYS A 70 13.557 -1.850 15.010 1.00 0.00 H new ATOM 0 HA LYS A 70 11.537 -3.934 14.420 1.00 0.00 H new ATOM 0 HB2 LYS A 70 13.774 -4.923 14.814 1.00 0.00 H new ATOM 0 HB3 LYS A 70 13.911 -4.044 16.324 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.569 -5.324 16.790 1.00 0.00 H new ATOM 0 HG3 LYS A 70 12.289 -6.464 15.671 1.00 0.00 H new ATOM 0 HD2 LYS A 70 13.637 -5.411 18.192 1.00 0.00 H new ATOM 0 HD3 LYS A 70 12.836 -6.964 18.059 1.00 0.00 H new ATOM 0 HE2 LYS A 70 14.434 -7.489 16.122 1.00 0.00 H new ATOM 0 HE3 LYS A 70 15.314 -6.039 16.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.274 -7.993 17.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.657 -6.953 18.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 14.804 -8.358 18.359 1.00 0.00 H new ATOM 1126 N ASP A 71 10.095 -2.890 16.131 1.00 0.00 N ATOM 1127 CA ASP A 71 9.208 -2.368 17.163 1.00 0.00 C ATOM 1128 C ASP A 71 8.673 -3.494 18.043 1.00 0.00 C ATOM 1129 O ASP A 71 8.664 -4.663 17.656 1.00 0.00 O ATOM 1130 CB ASP A 71 8.045 -1.603 16.528 1.00 0.00 C ATOM 1131 CG ASP A 71 8.300 -0.110 16.464 1.00 0.00 C ATOM 1132 OD1 ASP A 71 9.398 0.286 16.020 1.00 0.00 O ATOM 1133 OD2 ASP A 71 7.401 0.662 16.856 1.00 0.00 O ATOM 0 H ASP A 71 9.616 -3.252 15.307 1.00 0.00 H new ATOM 0 HA ASP A 71 9.783 -1.685 17.789 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.871 -1.982 15.521 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.136 -1.789 17.100 1.00 0.00 H new ATOM 1138 N PRO A 72 8.217 -3.136 19.251 1.00 0.00 N ATOM 1139 CA PRO A 72 7.672 -4.101 20.210 1.00 0.00 C ATOM 1140 C PRO A 72 6.328 -4.667 19.764 1.00 0.00 C ATOM 1141 O PRO A 72 5.797 -5.589 20.381 1.00 0.00 O ATOM 1142 CB PRO A 72 7.505 -3.277 21.489 1.00 0.00 C ATOM 1143 CG PRO A 72 7.356 -1.872 21.016 1.00 0.00 C ATOM 1144 CD PRO A 72 8.197 -1.760 19.775 1.00 0.00 C ATOM 0 HA PRO A 72 8.322 -4.968 20.327 1.00 0.00 H new ATOM 0 HB2 PRO A 72 6.632 -3.599 22.056 1.00 0.00 H new ATOM 0 HB3 PRO A 72 8.369 -3.385 22.145 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.312 -1.641 20.802 1.00 0.00 H new ATOM 0 HG3 PRO A 72 7.689 -1.167 21.778 1.00 0.00 H new ATOM 0 HD2 PRO A 72 7.764 -1.063 19.058 1.00 0.00 H new ATOM 0 HD3 PRO A 72 9.201 -1.401 20.001 1.00 0.00 H new ATOM 1152 N GLU A 73 5.785 -4.109 18.686 1.00 0.00 N ATOM 1153 CA GLU A 73 4.503 -4.560 18.157 1.00 0.00 C ATOM 1154 C GLU A 73 4.697 -5.691 17.150 1.00 0.00 C ATOM 1155 O GLU A 73 3.849 -6.574 17.024 1.00 0.00 O ATOM 1156 CB GLU A 73 3.762 -3.394 17.496 1.00 0.00 C ATOM 1157 CG GLU A 73 2.277 -3.652 17.299 1.00 0.00 C ATOM 1158 CD GLU A 73 1.427 -2.440 17.628 1.00 0.00 C ATOM 1159 OE1 GLU A 73 1.405 -1.492 16.816 1.00 0.00 O ATOM 1160 OE2 GLU A 73 0.783 -2.441 18.699 1.00 0.00 O ATOM 0 H GLU A 73 6.212 -3.345 18.163 1.00 0.00 H new ATOM 0 HA GLU A 73 3.907 -4.936 18.988 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.889 -2.500 18.107 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.218 -3.186 16.528 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.097 -3.948 16.265 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.970 -4.488 17.928 1.00 0.00 H new ATOM 1167 N MET A 74 5.817 -5.655 16.438 1.00 0.00 N ATOM 1168 CA MET A 74 6.123 -6.676 15.443 1.00 0.00 C ATOM 1169 C MET A 74 7.627 -6.899 15.336 1.00 0.00 C ATOM 1170 O MET A 74 8.131 -7.972 15.663 1.00 0.00 O ATOM 1171 CB MET A 74 5.556 -6.277 14.079 1.00 0.00 C ATOM 1172 CG MET A 74 4.986 -7.445 13.292 1.00 0.00 C ATOM 1173 SD MET A 74 3.586 -6.970 12.259 1.00 0.00 S ATOM 1174 CE MET A 74 2.321 -8.080 12.872 1.00 0.00 C ATOM 0 H MET A 74 6.528 -4.930 16.531 1.00 0.00 H new ATOM 0 HA MET A 74 5.658 -7.609 15.763 1.00 0.00 H new ATOM 0 HB2 MET A 74 4.774 -5.531 14.224 1.00 0.00 H new ATOM 0 HB3 MET A 74 6.343 -5.804 13.492 1.00 0.00 H new ATOM 0 HG2 MET A 74 5.768 -7.871 12.664 1.00 0.00 H new ATOM 0 HG3 MET A 74 4.673 -8.226 13.985 1.00 0.00 H new ATOM 0 HE1 MET A 74 1.391 -7.907 12.330 1.00 0.00 H new ATOM 0 HE2 MET A 74 2.640 -9.112 12.726 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.160 -7.897 13.934 1.00 0.00 H new ATOM 1184 N GLY A 75 8.341 -5.877 14.874 1.00 0.00 N ATOM 1185 CA GLY A 75 9.782 -5.982 14.732 1.00 0.00 C ATOM 1186 C GLY A 75 10.226 -5.930 13.284 1.00 0.00 C ATOM 1187 O GLY A 75 11.203 -6.575 12.904 1.00 0.00 O ATOM 0 H GLY A 75 7.947 -4.978 14.595 1.00 0.00 H new ATOM 0 HA2 GLY A 75 10.259 -5.172 15.284 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.121 -6.916 15.180 1.00 0.00 H new ATOM 1191 N GLU A 76 9.507 -5.161 12.472 1.00 0.00 N ATOM 1192 CA GLU A 76 9.832 -5.030 11.057 1.00 0.00 C ATOM 1193 C GLU A 76 9.330 -3.700 10.503 1.00 0.00 C ATOM 1194 O GLU A 76 8.831 -3.632 9.379 1.00 0.00 O ATOM 1195 CB GLU A 76 9.225 -6.189 10.262 1.00 0.00 C ATOM 1196 CG GLU A 76 10.196 -6.834 9.288 1.00 0.00 C ATOM 1197 CD GLU A 76 9.840 -8.276 8.980 1.00 0.00 C ATOM 1198 OE1 GLU A 76 8.770 -8.507 8.379 1.00 0.00 O ATOM 1199 OE2 GLU A 76 10.632 -9.173 9.337 1.00 0.00 O ATOM 0 H GLU A 76 8.696 -4.619 12.770 1.00 0.00 H new ATOM 0 HA GLU A 76 10.917 -5.058 10.956 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.865 -6.947 10.958 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.358 -5.825 9.710 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.210 -6.261 8.361 1.00 0.00 H new ATOM 0 HG3 GLU A 76 11.203 -6.793 9.703 1.00 0.00 H new ATOM 1206 N ILE A 77 9.466 -2.646 11.300 1.00 0.00 N ATOM 1207 CA ILE A 77 9.026 -1.317 10.890 1.00 0.00 C ATOM 1208 C ILE A 77 10.029 -0.677 9.936 1.00 0.00 C ATOM 1209 O ILE A 77 11.084 -0.201 10.358 1.00 0.00 O ATOM 1210 CB ILE A 77 8.825 -0.392 12.105 1.00 0.00 C ATOM 1211 CG1 ILE A 77 7.794 -0.990 13.064 1.00 0.00 C ATOM 1212 CG2 ILE A 77 8.389 0.993 11.648 1.00 0.00 C ATOM 1213 CD1 ILE A 77 6.448 -1.246 12.423 1.00 0.00 C ATOM 0 H ILE A 77 9.877 -2.686 12.233 1.00 0.00 H new ATOM 0 HA ILE A 77 8.072 -1.443 10.378 1.00 0.00 H new ATOM 0 HB ILE A 77 9.774 -0.299 12.633 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.182 -1.928 13.462 1.00 0.00 H new ATOM 0 HG13 ILE A 77 7.662 -0.315 13.909 1.00 0.00 H new ATOM 0 HG21 ILE A 77 8.251 1.636 12.517 1.00 0.00 H new ATOM 0 HG22 ILE A 77 9.154 1.420 10.999 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.450 0.916 11.100 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.768 -1.670 13.162 1.00 0.00 H new ATOM 0 HD12 ILE A 77 6.039 -0.307 12.049 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.566 -1.945 11.595 1.00 0.00 H new ATOM 1225 N ILE A 78 9.692 -0.665 8.652 1.00 0.00 N ATOM 1226 CA ILE A 78 10.562 -0.080 7.640 1.00 0.00 C ATOM 1227 C ILE A 78 10.510 1.445 7.685 1.00 0.00 C ATOM 1228 O ILE A 78 9.526 2.053 7.269 1.00 0.00 O ATOM 1229 CB ILE A 78 10.178 -0.554 6.225 1.00 0.00 C ATOM 1230 CG1 ILE A 78 10.218 -2.081 6.146 1.00 0.00 C ATOM 1231 CG2 ILE A 78 11.110 0.061 5.190 1.00 0.00 C ATOM 1232 CD1 ILE A 78 8.852 -2.725 6.229 1.00 0.00 C ATOM 0 H ILE A 78 8.822 -1.054 8.287 1.00 0.00 H new ATOM 0 HA ILE A 78 11.575 -0.414 7.864 1.00 0.00 H new ATOM 0 HB ILE A 78 9.161 -0.225 6.011 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.694 -2.376 5.211 1.00 0.00 H new ATOM 0 HG13 ILE A 78 10.841 -2.463 6.955 1.00 0.00 H new ATOM 0 HG21 ILE A 78 10.827 -0.283 4.195 1.00 0.00 H new ATOM 0 HG22 ILE A 78 11.035 1.148 5.233 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.136 -0.241 5.400 1.00 0.00 H new ATOM 0 HD11 ILE A 78 8.956 -3.808 6.167 1.00 0.00 H new ATOM 0 HD12 ILE A 78 8.382 -2.460 7.176 1.00 0.00 H new ATOM 0 HD13 ILE A 78 8.233 -2.372 5.405 1.00 0.00 H new ATOM 1244 N GLN A 79 11.578 2.053 8.192 1.00 0.00 N ATOM 1245 CA GLN A 79 11.655 3.504 8.290 1.00 0.00 C ATOM 1246 C GLN A 79 12.082 4.118 6.960 1.00 0.00 C ATOM 1247 O GLN A 79 12.984 3.611 6.291 1.00 0.00 O ATOM 1248 CB GLN A 79 12.635 3.911 9.391 1.00 0.00 C ATOM 1249 CG GLN A 79 12.619 5.400 9.700 1.00 0.00 C ATOM 1250 CD GLN A 79 13.954 5.902 10.218 1.00 0.00 C ATOM 1251 OE1 GLN A 79 14.186 5.948 11.426 1.00 0.00 O ATOM 1252 NE2 GLN A 79 14.839 6.282 9.305 1.00 0.00 N ATOM 0 H GLN A 79 12.401 1.562 8.541 1.00 0.00 H new ATOM 0 HA GLN A 79 10.663 3.879 8.540 1.00 0.00 H new ATOM 0 HB2 GLN A 79 12.398 3.357 10.300 1.00 0.00 H new ATOM 0 HB3 GLN A 79 13.643 3.621 9.094 1.00 0.00 H new ATOM 0 HG2 GLN A 79 12.352 5.952 8.799 1.00 0.00 H new ATOM 0 HG3 GLN A 79 11.846 5.606 10.440 1.00 0.00 H new ATOM 0 HE21 GLN A 79 14.605 6.227 8.314 1.00 0.00 H new ATOM 0 HE22 GLN A 79 15.753 6.629 9.595 1.00 0.00 H new ATOM 1261 N LEU A 80 11.431 5.213 6.584 1.00 0.00 N ATOM 1262 CA LEU A 80 11.744 5.896 5.334 1.00 0.00 C ATOM 1263 C LEU A 80 11.779 7.410 5.535 1.00 0.00 C ATOM 1264 O LEU A 80 10.775 8.019 5.901 1.00 0.00 O ATOM 1265 CB LEU A 80 10.716 5.537 4.261 1.00 0.00 C ATOM 1266 CG LEU A 80 11.253 4.800 3.035 1.00 0.00 C ATOM 1267 CD1 LEU A 80 10.542 3.468 2.857 1.00 0.00 C ATOM 1268 CD2 LEU A 80 11.102 5.659 1.788 1.00 0.00 C ATOM 0 H LEU A 80 10.684 5.647 7.126 1.00 0.00 H new ATOM 0 HA LEU A 80 12.730 5.567 5.007 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.942 4.921 4.720 1.00 0.00 H new ATOM 0 HB3 LEU A 80 10.235 6.456 3.926 1.00 0.00 H new ATOM 0 HG LEU A 80 12.314 4.603 3.190 1.00 0.00 H new ATOM 0 HD11 LEU A 80 10.938 2.958 1.979 1.00 0.00 H new ATOM 0 HD12 LEU A 80 10.703 2.849 3.739 1.00 0.00 H new ATOM 0 HD13 LEU A 80 9.474 3.641 2.725 1.00 0.00 H new ATOM 0 HD21 LEU A 80 11.490 5.118 0.925 1.00 0.00 H new ATOM 0 HD22 LEU A 80 10.048 5.888 1.629 1.00 0.00 H new ATOM 0 HD23 LEU A 80 11.660 6.587 1.915 1.00 0.00 H new ATOM 1280 N GLN A 81 12.941 8.007 5.288 1.00 0.00 N ATOM 1281 CA GLN A 81 13.104 9.447 5.441 1.00 0.00 C ATOM 1282 C GLN A 81 12.941 10.158 4.102 1.00 0.00 C ATOM 1283 O GLN A 81 13.655 9.869 3.142 1.00 0.00 O ATOM 1284 CB GLN A 81 14.477 9.766 6.036 1.00 0.00 C ATOM 1285 CG GLN A 81 14.635 11.216 6.459 1.00 0.00 C ATOM 1286 CD GLN A 81 15.883 11.860 5.885 1.00 0.00 C ATOM 1287 OE1 GLN A 81 16.969 11.283 5.931 1.00 0.00 O ATOM 1288 NE2 GLN A 81 15.732 13.061 5.339 1.00 0.00 N ATOM 0 H GLN A 81 13.781 7.516 4.982 1.00 0.00 H new ATOM 0 HA GLN A 81 12.329 9.805 6.119 1.00 0.00 H new ATOM 0 HB2 GLN A 81 14.647 9.124 6.900 1.00 0.00 H new ATOM 0 HB3 GLN A 81 15.246 9.524 5.303 1.00 0.00 H new ATOM 0 HG2 GLN A 81 13.759 11.781 6.139 1.00 0.00 H new ATOM 0 HG3 GLN A 81 14.670 11.271 7.547 1.00 0.00 H new ATOM 0 HE21 GLN A 81 14.812 13.502 5.323 1.00 0.00 H new ATOM 0 HE22 GLN A 81 16.536 13.543 4.936 1.00 0.00 H new ATOM 1297 N GLY A 82 11.995 11.090 4.042 1.00 0.00 N ATOM 1298 CA GLY A 82 11.754 11.827 2.816 1.00 0.00 C ATOM 1299 C GLY A 82 10.364 12.431 2.766 1.00 0.00 C ATOM 1300 O GLY A 82 9.462 11.989 3.477 1.00 0.00 O ATOM 0 H GLY A 82 11.390 11.348 4.822 1.00 0.00 H new ATOM 0 HA2 GLY A 82 12.495 12.621 2.721 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.889 11.162 1.963 1.00 0.00 H new ATOM 1304 N ASP A 83 10.192 13.446 1.926 1.00 0.00 N ATOM 1305 CA ASP A 83 8.903 14.112 1.786 1.00 0.00 C ATOM 1306 C ASP A 83 8.121 13.540 0.606 1.00 0.00 C ATOM 1307 O ASP A 83 7.343 14.246 -0.034 1.00 0.00 O ATOM 1308 CB ASP A 83 9.099 15.618 1.601 1.00 0.00 C ATOM 1309 CG ASP A 83 7.994 16.429 2.248 1.00 0.00 C ATOM 1310 OD1 ASP A 83 6.874 15.895 2.395 1.00 0.00 O ATOM 1311 OD2 ASP A 83 8.247 17.599 2.605 1.00 0.00 O ATOM 0 H ASP A 83 10.929 13.825 1.332 1.00 0.00 H new ATOM 0 HA ASP A 83 8.331 13.937 2.698 1.00 0.00 H new ATOM 0 HB2 ASP A 83 10.058 15.912 2.027 1.00 0.00 H new ATOM 0 HB3 ASP A 83 9.139 15.848 0.536 1.00 0.00 H new ATOM 1316 N GLN A 84 8.336 12.259 0.326 1.00 0.00 N ATOM 1317 CA GLN A 84 7.652 11.593 -0.778 1.00 0.00 C ATOM 1318 C GLN A 84 6.768 10.460 -0.267 1.00 0.00 C ATOM 1319 O GLN A 84 6.697 9.394 -0.876 1.00 0.00 O ATOM 1320 CB GLN A 84 8.670 11.049 -1.781 1.00 0.00 C ATOM 1321 CG GLN A 84 9.435 12.134 -2.521 1.00 0.00 C ATOM 1322 CD GLN A 84 10.077 11.629 -3.798 1.00 0.00 C ATOM 1323 OE1 GLN A 84 11.098 10.942 -3.763 1.00 0.00 O ATOM 1324 NE2 GLN A 84 9.481 11.967 -4.935 1.00 0.00 N ATOM 0 H GLN A 84 8.978 11.661 0.847 1.00 0.00 H new ATOM 0 HA GLN A 84 7.018 12.327 -1.276 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.380 10.410 -1.255 1.00 0.00 H new ATOM 0 HB3 GLN A 84 8.153 10.421 -2.507 1.00 0.00 H new ATOM 0 HG2 GLN A 84 8.757 12.953 -2.759 1.00 0.00 H new ATOM 0 HG3 GLN A 84 10.207 12.539 -1.867 1.00 0.00 H new ATOM 0 HE21 GLN A 84 8.636 12.538 -4.918 1.00 0.00 H new ATOM 0 HE22 GLN A 84 9.868 11.656 -5.826 1.00 0.00 H new ATOM 1333 N ARG A 85 6.097 10.700 0.855 1.00 0.00 N ATOM 1334 CA ARG A 85 5.218 9.699 1.449 1.00 0.00 C ATOM 1335 C ARG A 85 4.191 9.208 0.433 1.00 0.00 C ATOM 1336 O ARG A 85 4.018 8.004 0.244 1.00 0.00 O ATOM 1337 CB ARG A 85 4.505 10.277 2.673 1.00 0.00 C ATOM 1338 CG ARG A 85 4.114 9.228 3.700 1.00 0.00 C ATOM 1339 CD ARG A 85 2.618 8.949 3.669 1.00 0.00 C ATOM 1340 NE ARG A 85 1.837 10.105 4.103 1.00 0.00 N ATOM 1341 CZ ARG A 85 0.570 10.031 4.489 1.00 0.00 C ATOM 1342 NH1 ARG A 85 -0.059 8.863 4.497 1.00 0.00 N ATOM 1343 NH2 ARG A 85 -0.076 11.127 4.870 1.00 0.00 N ATOM 0 H ARG A 85 6.145 11.579 1.371 1.00 0.00 H new ATOM 0 HA ARG A 85 5.830 8.852 1.760 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.154 11.014 3.147 1.00 0.00 H new ATOM 0 HB3 ARG A 85 3.609 10.805 2.346 1.00 0.00 H new ATOM 0 HG2 ARG A 85 4.661 8.306 3.506 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.402 9.566 4.695 1.00 0.00 H new ATOM 0 HD2 ARG A 85 2.322 8.670 2.658 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.394 8.098 4.312 1.00 0.00 H new ATOM 0 HE ARG A 85 2.291 11.019 4.110 1.00 0.00 H new ATOM 0 HH11 ARG A 85 0.432 8.018 4.206 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -1.033 8.810 4.795 1.00 0.00 H new ATOM 0 HH21 ARG A 85 0.402 12.028 4.866 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -1.050 11.068 5.166 1.00 0.00 H new ATOM 1357 N ALA A 86 3.511 10.147 -0.216 1.00 0.00 N ATOM 1358 CA ALA A 86 2.503 9.809 -1.212 1.00 0.00 C ATOM 1359 C ALA A 86 3.079 8.896 -2.289 1.00 0.00 C ATOM 1360 O ALA A 86 2.351 8.130 -2.922 1.00 0.00 O ATOM 1361 CB ALA A 86 1.935 11.074 -1.839 1.00 0.00 C ATOM 0 H ALA A 86 3.640 11.148 -0.070 1.00 0.00 H new ATOM 0 HA ALA A 86 1.698 9.272 -0.710 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.183 10.806 -2.581 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.477 11.690 -1.065 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.737 11.633 -2.321 1.00 0.00 H new ATOM 1367 N LYS A 87 4.388 8.983 -2.493 1.00 0.00 N ATOM 1368 CA LYS A 87 5.063 8.165 -3.494 1.00 0.00 C ATOM 1369 C LYS A 87 5.209 6.725 -3.011 1.00 0.00 C ATOM 1370 O LYS A 87 4.962 5.780 -3.761 1.00 0.00 O ATOM 1371 CB LYS A 87 6.441 8.747 -3.814 1.00 0.00 C ATOM 1372 CG LYS A 87 6.864 8.551 -5.260 1.00 0.00 C ATOM 1373 CD LYS A 87 6.120 9.494 -6.191 1.00 0.00 C ATOM 1374 CE LYS A 87 7.078 10.271 -7.080 1.00 0.00 C ATOM 1375 NZ LYS A 87 6.509 10.512 -8.434 1.00 0.00 N ATOM 0 H LYS A 87 5.004 9.612 -1.978 1.00 0.00 H new ATOM 0 HA LYS A 87 4.455 8.168 -4.399 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.437 9.813 -3.587 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.182 8.284 -3.162 1.00 0.00 H new ATOM 0 HG2 LYS A 87 7.937 8.719 -5.352 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.676 7.520 -5.559 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.428 8.924 -6.811 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.522 10.190 -5.603 1.00 0.00 H new ATOM 0 HE2 LYS A 87 7.315 11.226 -6.611 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.014 9.721 -7.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 7.193 11.044 -9.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.307 9.601 -8.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.629 11.059 -8.348 1.00 0.00 H new ATOM 1389 N VAL A 88 5.609 6.565 -1.753 1.00 0.00 N ATOM 1390 CA VAL A 88 5.784 5.240 -1.169 1.00 0.00 C ATOM 1391 C VAL A 88 4.462 4.484 -1.117 1.00 0.00 C ATOM 1392 O VAL A 88 4.435 3.254 -1.186 1.00 0.00 O ATOM 1393 CB VAL A 88 6.370 5.327 0.253 1.00 0.00 C ATOM 1394 CG1 VAL A 88 6.590 3.935 0.825 1.00 0.00 C ATOM 1395 CG2 VAL A 88 7.668 6.122 0.247 1.00 0.00 C ATOM 0 H VAL A 88 5.818 7.336 -1.119 1.00 0.00 H new ATOM 0 HA VAL A 88 6.482 4.701 -1.809 1.00 0.00 H new ATOM 0 HB VAL A 88 5.656 5.847 0.891 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.004 4.016 1.830 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.639 3.404 0.866 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.285 3.386 0.189 1.00 0.00 H new ATOM 0 HG21 VAL A 88 8.068 6.173 1.260 1.00 0.00 H new ATOM 0 HG22 VAL A 88 8.392 5.632 -0.405 1.00 0.00 H new ATOM 0 HG23 VAL A 88 7.475 7.131 -0.118 1.00 0.00 H new ATOM 1405 N CYS A 89 3.366 5.225 -0.997 1.00 0.00 N ATOM 1406 CA CYS A 89 2.038 4.624 -0.935 1.00 0.00 C ATOM 1407 C CYS A 89 1.543 4.257 -2.331 1.00 0.00 C ATOM 1408 O CYS A 89 0.892 3.231 -2.517 1.00 0.00 O ATOM 1409 CB CYS A 89 1.053 5.583 -0.266 1.00 0.00 C ATOM 1410 SG CYS A 89 -0.349 4.762 0.529 1.00 0.00 S ATOM 0 H CYS A 89 3.371 6.243 -0.941 1.00 0.00 H new ATOM 0 HA CYS A 89 2.105 3.712 -0.342 1.00 0.00 H new ATOM 0 HB2 CYS A 89 1.586 6.173 0.480 1.00 0.00 H new ATOM 0 HB3 CYS A 89 0.676 6.280 -1.014 1.00 0.00 H new ATOM 0 HG CYS A 89 -1.125 5.654 1.069 1.00 0.00 H new ATOM 1416 N GLU A 90 1.854 5.106 -3.305 1.00 0.00 N ATOM 1417 CA GLU A 90 1.439 4.870 -4.683 1.00 0.00 C ATOM 1418 C GLU A 90 2.270 3.762 -5.321 1.00 0.00 C ATOM 1419 O GLU A 90 1.777 3.003 -6.156 1.00 0.00 O ATOM 1420 CB GLU A 90 1.566 6.155 -5.504 1.00 0.00 C ATOM 1421 CG GLU A 90 0.404 7.116 -5.317 1.00 0.00 C ATOM 1422 CD GLU A 90 -0.734 6.850 -6.283 1.00 0.00 C ATOM 1423 OE1 GLU A 90 -0.599 7.206 -7.472 1.00 0.00 O ATOM 1424 OE2 GLU A 90 -1.760 6.284 -5.850 1.00 0.00 O ATOM 0 H GLU A 90 2.391 5.962 -3.166 1.00 0.00 H new ATOM 0 HA GLU A 90 0.395 4.556 -4.672 1.00 0.00 H new ATOM 0 HB2 GLU A 90 2.492 6.661 -5.230 1.00 0.00 H new ATOM 0 HB3 GLU A 90 1.645 5.895 -6.560 1.00 0.00 H new ATOM 0 HG2 GLU A 90 0.034 7.038 -4.295 1.00 0.00 H new ATOM 0 HG3 GLU A 90 0.758 8.138 -5.451 1.00 0.00 H new ATOM 1431 N PHE A 91 3.534 3.674 -4.923 1.00 0.00 N ATOM 1432 CA PHE A 91 4.436 2.660 -5.456 1.00 0.00 C ATOM 1433 C PHE A 91 4.219 1.319 -4.760 1.00 0.00 C ATOM 1434 O PHE A 91 4.361 0.261 -5.372 1.00 0.00 O ATOM 1435 CB PHE A 91 5.891 3.103 -5.293 1.00 0.00 C ATOM 1436 CG PHE A 91 6.804 2.570 -6.362 1.00 0.00 C ATOM 1437 CD1 PHE A 91 6.632 2.940 -7.685 1.00 0.00 C ATOM 1438 CD2 PHE A 91 7.832 1.700 -6.041 1.00 0.00 C ATOM 1439 CE1 PHE A 91 7.470 2.452 -8.670 1.00 0.00 C ATOM 1440 CE2 PHE A 91 8.674 1.207 -7.021 1.00 0.00 C ATOM 1441 CZ PHE A 91 8.493 1.584 -8.337 1.00 0.00 C ATOM 0 H PHE A 91 3.958 4.293 -4.232 1.00 0.00 H new ATOM 0 HA PHE A 91 4.218 2.538 -6.517 1.00 0.00 H new ATOM 0 HB2 PHE A 91 5.934 4.192 -5.300 1.00 0.00 H new ATOM 0 HB3 PHE A 91 6.255 2.776 -4.319 1.00 0.00 H new ATOM 0 HD1 PHE A 91 5.834 3.618 -7.950 1.00 0.00 H new ATOM 0 HD2 PHE A 91 7.978 1.403 -5.013 1.00 0.00 H new ATOM 0 HE1 PHE A 91 7.326 2.748 -9.698 1.00 0.00 H new ATOM 0 HE2 PHE A 91 9.472 0.528 -6.758 1.00 0.00 H new ATOM 0 HZ PHE A 91 9.149 1.201 -9.105 1.00 0.00 H new ATOM 1451 N MET A 92 3.877 1.374 -3.477 1.00 0.00 N ATOM 1452 CA MET A 92 3.640 0.165 -2.697 1.00 0.00 C ATOM 1453 C MET A 92 2.370 -0.540 -3.160 1.00 0.00 C ATOM 1454 O MET A 92 2.347 -1.763 -3.305 1.00 0.00 O ATOM 1455 CB MET A 92 3.536 0.505 -1.209 1.00 0.00 C ATOM 1456 CG MET A 92 3.289 -0.706 -0.325 1.00 0.00 C ATOM 1457 SD MET A 92 4.282 -0.682 1.180 1.00 0.00 S ATOM 1458 CE MET A 92 5.912 -1.006 0.515 1.00 0.00 C ATOM 0 H MET A 92 3.758 2.243 -2.956 1.00 0.00 H new ATOM 0 HA MET A 92 4.484 -0.508 -2.850 1.00 0.00 H new ATOM 0 HB2 MET A 92 4.457 0.995 -0.891 1.00 0.00 H new ATOM 0 HB3 MET A 92 2.727 1.221 -1.064 1.00 0.00 H new ATOM 0 HG2 MET A 92 2.233 -0.747 -0.058 1.00 0.00 H new ATOM 0 HG3 MET A 92 3.511 -1.613 -0.888 1.00 0.00 H new ATOM 0 HE1 MET A 92 6.625 -1.110 1.333 1.00 0.00 H new ATOM 0 HE2 MET A 92 5.891 -1.927 -0.068 1.00 0.00 H new ATOM 0 HE3 MET A 92 6.215 -0.178 -0.126 1.00 0.00 H new ATOM 1468 N ILE A 93 1.316 0.236 -3.388 1.00 0.00 N ATOM 1469 CA ILE A 93 0.043 -0.315 -3.837 1.00 0.00 C ATOM 1470 C ILE A 93 0.109 -0.727 -5.302 1.00 0.00 C ATOM 1471 O ILE A 93 -0.407 -1.779 -5.685 1.00 0.00 O ATOM 1472 CB ILE A 93 -1.104 0.695 -3.649 1.00 0.00 C ATOM 1473 CG1 ILE A 93 -1.211 1.113 -2.180 1.00 0.00 C ATOM 1474 CG2 ILE A 93 -2.418 0.099 -4.132 1.00 0.00 C ATOM 1475 CD1 ILE A 93 -2.052 2.350 -1.964 1.00 0.00 C ATOM 0 H ILE A 93 1.318 1.249 -3.269 1.00 0.00 H new ATOM 0 HA ILE A 93 -0.155 -1.195 -3.224 1.00 0.00 H new ATOM 0 HB ILE A 93 -0.888 1.582 -4.244 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -1.636 0.290 -1.606 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -0.210 1.291 -1.787 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -3.220 0.824 -3.993 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.336 -0.153 -5.189 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.641 -0.802 -3.560 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.084 2.587 -0.901 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -1.616 3.187 -2.510 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.064 2.169 -2.326 1.00 0.00 H new ATOM 1487 N SER A 94 0.744 0.106 -6.119 1.00 0.00 N ATOM 1488 CA SER A 94 0.875 -0.172 -7.545 1.00 0.00 C ATOM 1489 C SER A 94 1.773 -1.382 -7.783 1.00 0.00 C ATOM 1490 O SER A 94 1.653 -2.066 -8.798 1.00 0.00 O ATOM 1491 CB SER A 94 1.443 1.047 -8.274 1.00 0.00 C ATOM 1492 OG SER A 94 0.503 2.108 -8.299 1.00 0.00 O ATOM 0 H SER A 94 1.176 0.980 -5.818 1.00 0.00 H new ATOM 0 HA SER A 94 -0.117 -0.394 -7.938 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.357 1.378 -7.780 1.00 0.00 H new ATOM 0 HB3 SER A 94 1.714 0.772 -9.293 1.00 0.00 H new ATOM 0 HG SER A 94 0.671 2.712 -7.546 1.00 0.00 H new ATOM 1498 N GLN A 95 2.670 -1.641 -6.836 1.00 0.00 N ATOM 1499 CA GLN A 95 3.588 -2.769 -6.943 1.00 0.00 C ATOM 1500 C GLN A 95 3.015 -4.005 -6.259 1.00 0.00 C ATOM 1501 O GLN A 95 3.309 -5.137 -6.647 1.00 0.00 O ATOM 1502 CB GLN A 95 4.942 -2.413 -6.326 1.00 0.00 C ATOM 1503 CG GLN A 95 5.906 -3.585 -6.256 1.00 0.00 C ATOM 1504 CD GLN A 95 6.150 -4.221 -7.610 1.00 0.00 C ATOM 1505 OE1 GLN A 95 6.021 -3.571 -8.648 1.00 0.00 O ATOM 1506 NE2 GLN A 95 6.504 -5.502 -7.608 1.00 0.00 N ATOM 0 H GLN A 95 2.780 -1.086 -5.987 1.00 0.00 H new ATOM 0 HA GLN A 95 3.726 -2.992 -8.001 1.00 0.00 H new ATOM 0 HB2 GLN A 95 5.398 -1.613 -6.909 1.00 0.00 H new ATOM 0 HB3 GLN A 95 4.783 -2.024 -5.320 1.00 0.00 H new ATOM 0 HG2 GLN A 95 6.855 -3.245 -5.842 1.00 0.00 H new ATOM 0 HG3 GLN A 95 5.510 -4.336 -5.572 1.00 0.00 H new ATOM 0 HE21 GLN A 95 6.599 -6.003 -6.725 1.00 0.00 H new ATOM 0 HE22 GLN A 95 6.680 -5.984 -8.490 1.00 0.00 H new ATOM 1515 N LEU A 96 2.194 -3.783 -5.238 1.00 0.00 N ATOM 1516 CA LEU A 96 1.577 -4.879 -4.498 1.00 0.00 C ATOM 1517 C LEU A 96 0.438 -5.503 -5.298 1.00 0.00 C ATOM 1518 O LEU A 96 0.088 -6.664 -5.096 1.00 0.00 O ATOM 1519 CB LEU A 96 1.055 -4.380 -3.150 1.00 0.00 C ATOM 1520 CG LEU A 96 2.073 -4.342 -2.009 1.00 0.00 C ATOM 1521 CD1 LEU A 96 1.617 -3.385 -0.919 1.00 0.00 C ATOM 1522 CD2 LEU A 96 2.291 -5.737 -1.441 1.00 0.00 C ATOM 0 H LEU A 96 1.940 -2.853 -4.904 1.00 0.00 H new ATOM 0 HA LEU A 96 2.336 -5.642 -4.327 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.655 -3.375 -3.287 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.223 -5.016 -2.847 1.00 0.00 H new ATOM 0 HG LEU A 96 3.022 -3.982 -2.406 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.354 -3.371 -0.116 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.514 -2.383 -1.335 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.656 -3.714 -0.524 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.018 -5.690 -0.630 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.347 -6.126 -1.060 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.664 -6.395 -2.226 1.00 0.00 H new ATOM 1534 N GLY A 97 -0.136 -4.723 -6.209 1.00 0.00 N ATOM 1535 CA GLY A 97 -1.228 -5.217 -7.027 1.00 0.00 C ATOM 1536 C GLY A 97 -2.567 -4.634 -6.621 1.00 0.00 C ATOM 1537 O GLY A 97 -3.576 -5.339 -6.591 1.00 0.00 O ATOM 0 H GLY A 97 0.136 -3.758 -6.395 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -1.033 -4.977 -8.072 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -1.271 -6.304 -6.953 1.00 0.00 H new ATOM 1541 N LEU A 98 -2.576 -3.343 -6.305 1.00 0.00 N ATOM 1542 CA LEU A 98 -3.802 -2.664 -5.897 1.00 0.00 C ATOM 1543 C LEU A 98 -4.339 -3.249 -4.594 1.00 0.00 C ATOM 1544 O LEU A 98 -5.499 -3.653 -4.516 1.00 0.00 O ATOM 1545 CB LEU A 98 -4.861 -2.777 -6.994 1.00 0.00 C ATOM 1546 CG LEU A 98 -4.372 -2.546 -8.424 1.00 0.00 C ATOM 1547 CD1 LEU A 98 -5.460 -2.906 -9.425 1.00 0.00 C ATOM 1548 CD2 LEU A 98 -3.932 -1.101 -8.610 1.00 0.00 C ATOM 0 H LEU A 98 -1.749 -2.746 -6.323 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.569 -1.612 -5.734 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -5.307 -3.770 -6.940 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -5.653 -2.059 -6.782 1.00 0.00 H new ATOM 0 HG LEU A 98 -3.513 -3.193 -8.603 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.094 -2.735 -10.437 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.729 -3.956 -9.309 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.338 -2.285 -9.247 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.587 -0.955 -9.634 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -4.773 -0.436 -8.412 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.121 -0.876 -7.918 1.00 0.00 H new ATOM 1560 N GLN A 99 -3.489 -3.288 -3.574 1.00 0.00 N ATOM 1561 CA GLN A 99 -3.878 -3.821 -2.275 1.00 0.00 C ATOM 1562 C GLN A 99 -4.441 -2.720 -1.380 1.00 0.00 C ATOM 1563 O GLN A 99 -3.758 -1.741 -1.079 1.00 0.00 O ATOM 1564 CB GLN A 99 -2.681 -4.486 -1.592 1.00 0.00 C ATOM 1565 CG GLN A 99 -3.073 -5.457 -0.489 1.00 0.00 C ATOM 1566 CD GLN A 99 -3.598 -6.771 -1.027 1.00 0.00 C ATOM 1567 OE1 GLN A 99 -4.804 -6.938 -1.223 1.00 0.00 O ATOM 1568 NE2 GLN A 99 -2.697 -7.716 -1.272 1.00 0.00 N ATOM 0 H GLN A 99 -2.526 -2.956 -3.622 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.656 -4.567 -2.436 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -2.095 -5.018 -2.341 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -2.037 -3.713 -1.173 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -2.208 -5.649 0.145 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -3.834 -4.997 0.141 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -1.709 -7.536 -1.096 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -2.994 -8.621 -1.636 1.00 0.00 H new ATOM 1577 N LYS A 100 -5.690 -2.887 -0.961 1.00 0.00 N ATOM 1578 CA LYS A 100 -6.345 -1.908 -0.100 1.00 0.00 C ATOM 1579 C LYS A 100 -7.373 -2.580 0.804 1.00 0.00 C ATOM 1580 O LYS A 100 -8.257 -1.923 1.352 1.00 0.00 O ATOM 1581 CB LYS A 100 -7.023 -0.828 -0.947 1.00 0.00 C ATOM 1582 CG LYS A 100 -7.314 0.452 -0.183 1.00 0.00 C ATOM 1583 CD LYS A 100 -8.778 0.842 -0.283 1.00 0.00 C ATOM 1584 CE LYS A 100 -9.259 1.533 0.984 1.00 0.00 C ATOM 1585 NZ LYS A 100 -10.174 2.669 0.683 1.00 0.00 N ATOM 0 H LYS A 100 -6.270 -3.691 -1.203 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.584 -1.445 0.528 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -6.386 -0.595 -1.800 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.957 -1.224 -1.345 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.043 0.321 0.864 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.694 1.259 -0.574 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -8.922 1.504 -1.137 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -9.381 -0.048 -0.465 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.773 0.811 1.619 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.400 1.898 1.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -10.480 3.114 1.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -9.676 3.370 0.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -11.006 2.317 0.168 1.00 0.00 H new ATOM 1599 N LYS A 101 -7.249 -3.894 0.957 1.00 0.00 N ATOM 1600 CA LYS A 101 -8.166 -4.657 1.798 1.00 0.00 C ATOM 1601 C LYS A 101 -8.205 -4.089 3.213 1.00 0.00 C ATOM 1602 O LYS A 101 -9.203 -4.226 3.919 1.00 0.00 O ATOM 1603 CB LYS A 101 -7.748 -6.128 1.838 1.00 0.00 C ATOM 1604 CG LYS A 101 -8.508 -7.003 0.855 1.00 0.00 C ATOM 1605 CD LYS A 101 -9.592 -7.810 1.550 1.00 0.00 C ATOM 1606 CE LYS A 101 -10.203 -8.842 0.615 1.00 0.00 C ATOM 1607 NZ LYS A 101 -11.403 -8.310 -0.089 1.00 0.00 N ATOM 0 H LYS A 101 -6.523 -4.453 0.510 1.00 0.00 H new ATOM 0 HA LYS A 101 -9.165 -4.581 1.367 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -6.681 -6.200 1.626 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -7.899 -6.513 2.847 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -8.957 -6.379 0.082 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -7.814 -7.679 0.356 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -9.172 -8.311 2.422 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -10.371 -7.139 1.912 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -9.459 -9.153 -0.119 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -10.479 -9.729 1.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -11.791 -9.043 -0.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -12.123 -8.037 0.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -11.135 -7.478 -0.653 1.00 0.00 H new ATOM 1621 N ASN A 102 -7.112 -3.452 3.620 1.00 0.00 N ATOM 1622 CA ASN A 102 -7.023 -2.863 4.953 1.00 0.00 C ATOM 1623 C ASN A 102 -5.703 -2.118 5.130 1.00 0.00 C ATOM 1624 O ASN A 102 -4.678 -2.511 4.574 1.00 0.00 O ATOM 1625 CB ASN A 102 -7.156 -3.948 6.022 1.00 0.00 C ATOM 1626 CG ASN A 102 -7.789 -3.426 7.298 1.00 0.00 C ATOM 1627 OD1 ASN A 102 -7.085 -2.534 7.986 1.00 0.00 O flip ATOM 1628 ND2 ASN A 102 -8.897 -3.820 7.662 1.00 0.00 N flip ATOM 0 H ASN A 102 -6.276 -3.330 3.048 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.840 -2.151 5.065 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -7.757 -4.769 5.630 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -6.170 -4.355 6.248 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -9.403 -4.506 7.103 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -9.309 -3.460 8.523 1.00 0.00 H new ATOM 1635 N ILE A 103 -5.739 -1.041 5.908 1.00 0.00 N ATOM 1636 CA ILE A 103 -4.545 -0.242 6.160 1.00 0.00 C ATOM 1637 C ILE A 103 -4.497 0.231 7.609 1.00 0.00 C ATOM 1638 O ILE A 103 -5.405 0.913 8.082 1.00 0.00 O ATOM 1639 CB ILE A 103 -4.482 0.985 5.230 1.00 0.00 C ATOM 1640 CG1 ILE A 103 -4.743 0.566 3.780 1.00 0.00 C ATOM 1641 CG2 ILE A 103 -3.131 1.672 5.353 1.00 0.00 C ATOM 1642 CD1 ILE A 103 -6.203 0.613 3.392 1.00 0.00 C ATOM 0 H ILE A 103 -6.580 -0.702 6.374 1.00 0.00 H new ATOM 0 HA ILE A 103 -3.687 -0.884 5.960 1.00 0.00 H new ATOM 0 HB ILE A 103 -5.256 1.691 5.530 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -4.177 1.218 3.114 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -4.368 -0.446 3.630 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -3.101 2.537 4.690 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -2.981 1.998 6.382 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -2.341 0.974 5.075 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -6.313 0.304 2.353 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -6.772 -0.060 4.033 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -6.578 1.630 3.510 1.00 0.00 H new ATOM 1654 N LYS A 104 -3.428 -0.136 8.309 1.00 0.00 N ATOM 1655 CA LYS A 104 -3.257 0.252 9.705 1.00 0.00 C ATOM 1656 C LYS A 104 -2.519 1.583 9.812 1.00 0.00 C ATOM 1657 O LYS A 104 -1.290 1.628 9.755 1.00 0.00 O ATOM 1658 CB LYS A 104 -2.492 -0.832 10.467 1.00 0.00 C ATOM 1659 CG LYS A 104 -2.398 -0.574 11.961 1.00 0.00 C ATOM 1660 CD LYS A 104 -1.818 -1.769 12.696 1.00 0.00 C ATOM 1661 CE LYS A 104 -1.571 -1.454 14.164 1.00 0.00 C ATOM 1662 NZ LYS A 104 -1.974 -2.584 15.049 1.00 0.00 N ATOM 0 H LYS A 104 -2.667 -0.702 7.932 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.246 0.368 10.149 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -2.980 -1.793 10.303 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -1.485 -0.911 10.056 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.776 0.303 12.142 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.389 -0.349 12.356 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -2.501 -2.615 12.614 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -0.882 -2.068 12.224 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -0.514 -1.233 14.315 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -2.127 -0.559 14.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -1.790 -2.331 16.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -2.988 -2.779 14.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -1.425 -3.432 14.801 1.00 0.00 H new ATOM 1676 N ILE A 105 -3.276 2.663 9.969 1.00 0.00 N ATOM 1677 CA ILE A 105 -2.693 3.993 10.088 1.00 0.00 C ATOM 1678 C ILE A 105 -2.570 4.411 11.550 1.00 0.00 C ATOM 1679 O ILE A 105 -3.489 4.211 12.343 1.00 0.00 O ATOM 1680 CB ILE A 105 -3.528 5.044 9.334 1.00 0.00 C ATOM 1681 CG1 ILE A 105 -3.911 4.523 7.946 1.00 0.00 C ATOM 1682 CG2 ILE A 105 -2.760 6.353 9.222 1.00 0.00 C ATOM 1683 CD1 ILE A 105 -4.746 5.497 7.144 1.00 0.00 C ATOM 0 H ILE A 105 -4.295 2.643 10.017 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.700 3.942 9.642 1.00 0.00 H new ATOM 0 HB ILE A 105 -4.443 5.231 9.897 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -3.002 4.292 7.390 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -4.463 3.589 8.057 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -3.365 7.085 8.686 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.535 6.729 10.220 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -1.830 6.184 8.679 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.980 5.062 6.173 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -5.672 5.709 7.679 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -4.189 6.423 7.002 1.00 0.00 H new ATOM 1695 N HIS A 106 -1.428 4.997 11.898 1.00 0.00 N ATOM 1696 CA HIS A 106 -1.186 5.446 13.264 1.00 0.00 C ATOM 1697 C HIS A 106 -1.615 6.899 13.443 1.00 0.00 C ATOM 1698 O HIS A 106 -1.011 7.809 12.877 1.00 0.00 O ATOM 1699 CB HIS A 106 0.292 5.292 13.620 1.00 0.00 C ATOM 1700 CG HIS A 106 0.547 5.179 15.092 1.00 0.00 C ATOM 1701 ND1 HIS A 106 0.822 6.267 15.893 1.00 0.00 N ATOM 1702 CD2 HIS A 106 0.565 4.099 15.907 1.00 0.00 C ATOM 1703 CE1 HIS A 106 0.999 5.861 17.137 1.00 0.00 C ATOM 1704 NE2 HIS A 106 0.848 4.549 17.172 1.00 0.00 N ATOM 0 H HIS A 106 -0.657 5.172 11.253 1.00 0.00 H new ATOM 0 HA HIS A 106 -1.780 4.825 13.934 1.00 0.00 H new ATOM 0 HB2 HIS A 106 0.686 4.406 13.123 1.00 0.00 H new ATOM 0 HB3 HIS A 106 0.842 6.148 13.229 1.00 0.00 H new ATOM 0 HD2 HIS A 106 0.389 3.074 15.616 1.00 0.00 H new ATOM 0 HE1 HIS A 106 1.228 6.494 17.982 1.00 0.00 H new ATOM 0 HE2 HIS A 106 0.929 3.965 18.004 1.00 0.00 H new ATOM 1712 N GLY A 107 -2.664 7.110 14.232 1.00 0.00 N ATOM 1713 CA GLY A 107 -3.156 8.454 14.469 1.00 0.00 C ATOM 1714 C GLY A 107 -2.486 9.116 15.659 1.00 0.00 C ATOM 1715 O GLY A 107 -2.697 8.713 16.802 1.00 0.00 O ATOM 0 H GLY A 107 -3.182 6.374 14.711 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -2.990 9.061 13.579 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -4.233 8.419 14.635 1.00 0.00 H new ATOM 1719 N PHE A 108 -1.676 10.132 15.388 1.00 0.00 N ATOM 1720 CA PHE A 108 -0.970 10.850 16.443 1.00 0.00 C ATOM 1721 C PHE A 108 -1.670 12.166 16.769 1.00 0.00 C ATOM 1722 O PHE A 108 -2.254 12.321 17.841 1.00 0.00 O ATOM 1723 CB PHE A 108 0.478 11.120 16.028 1.00 0.00 C ATOM 1724 CG PHE A 108 1.379 11.457 17.179 1.00 0.00 C ATOM 1725 CD1 PHE A 108 1.897 10.459 17.989 1.00 0.00 C ATOM 1726 CD2 PHE A 108 1.711 12.775 17.453 1.00 0.00 C ATOM 1727 CE1 PHE A 108 2.727 10.767 19.050 1.00 0.00 C ATOM 1728 CE2 PHE A 108 2.542 13.088 18.513 1.00 0.00 C ATOM 1729 CZ PHE A 108 3.048 12.084 19.313 1.00 0.00 C ATOM 0 H PHE A 108 -1.491 10.478 14.446 1.00 0.00 H new ATOM 0 HA PHE A 108 -0.974 10.225 17.336 1.00 0.00 H new ATOM 0 HB2 PHE A 108 0.870 10.242 15.515 1.00 0.00 H new ATOM 0 HB3 PHE A 108 0.495 11.941 15.312 1.00 0.00 H new ATOM 0 HD1 PHE A 108 1.649 9.427 17.788 1.00 0.00 H new ATOM 0 HD2 PHE A 108 1.316 13.566 16.832 1.00 0.00 H new ATOM 0 HE1 PHE A 108 3.124 9.979 19.673 1.00 0.00 H new ATOM 0 HE2 PHE A 108 2.795 14.118 18.715 1.00 0.00 H new ATOM 0 HZ PHE A 108 3.694 12.328 20.143 1.00 0.00 H new TER 1739 PHE A 108