USER MOD reduce.3.24.130724 H: found=0, std=0, add=767, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 766 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 20 LYS NZ :NH3+ -135:sc= 1.33 (180deg=0.289) USER MOD Set 1.2: A 88 THR OG1 : rot -110:sc= 0.933 USER MOD Set 2.1: A 78 HIS : no HE2:sc= -0.708 K(o=0.52,f=-6.7!) USER MOD Set 2.2: B 208 THR OG1 : rot 115:sc= 1.23 USER MOD Single : A 8 MET CE :methyl -176:sc= 0 (180deg=-0.0385) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot -43:sc= 0.00193 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.45 USER MOD Single : A 34 ASN : amide:sc= -0.0926 X(o=-0.093,f=0) USER MOD Single : A 35 THR OG1 : rot -30:sc= 0.0306 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -42:sc= 0.00381 USER MOD Single : A 60 HIS : no HD1:sc= -0.909 X(o=-0.91,f=-1.1) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 1.05 K(o=1,f=-4.6!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot -170:sc= -0.203 USER MOD Single : A 79 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.029) USER MOD Single : A 80 GLN : amide:sc= -0.286 K(o=-0.29,f=-1.2) USER MOD Single : A 84 THR OG1 : rot 78:sc= 1.27 USER MOD Single : A 87 ASN : amide:sc= -0.124 K(o=-0.12,f=-1) USER MOD Single : A 90 GLN : amide:sc= 0.759 K(o=0.76,f=-0.013) USER MOD Single : A 93 HIS : no HD1:sc= -0.654 X(o=-0.65,f=-0.61) USER MOD Single : A 98 LYS NZ :NH3+ 167:sc= 1.28 (180deg=0.88) USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 205 TYR OH : rot 180:sc= 0 USER MOD Single : B 209 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 8 -15.119 -12.049 0.246 1.00 0.00 N ATOM 2 CA MET A 8 -15.187 -11.334 -0.991 1.00 0.00 C ATOM 3 C MET A 8 -14.663 -12.216 -2.070 1.00 0.00 C ATOM 4 O MET A 8 -15.278 -13.212 -2.449 1.00 0.00 O ATOM 5 CB MET A 8 -14.450 -9.990 -0.858 1.00 0.00 C ATOM 6 CG MET A 8 -14.661 -8.991 -1.998 1.00 0.00 C ATOM 7 SD MET A 8 -13.370 -7.715 -2.113 1.00 0.00 S ATOM 8 CE MET A 8 -13.810 -6.820 -0.595 1.00 0.00 C ATOM 0 HA MET A 8 -16.213 -11.079 -1.256 1.00 0.00 H new ATOM 0 HB2 MET A 8 -14.762 -9.518 0.074 1.00 0.00 H new ATOM 0 HB3 MET A 8 -13.382 -10.191 -0.771 1.00 0.00 H new ATOM 0 HG2 MET A 8 -14.704 -9.536 -2.941 1.00 0.00 H new ATOM 0 HG3 MET A 8 -15.627 -8.504 -1.867 1.00 0.00 H new ATOM 0 HE1 MET A 8 -13.180 -5.936 -0.498 1.00 0.00 H new ATOM 0 HE2 MET A 8 -14.856 -6.517 -0.642 1.00 0.00 H new ATOM 0 HE3 MET A 8 -13.659 -7.470 0.267 1.00 0.00 H new ATOM 18 N LYS A 9 -13.480 -11.900 -2.628 1.00 0.00 N ATOM 19 CA LYS A 9 -12.798 -12.664 -3.625 1.00 0.00 C ATOM 20 C LYS A 9 -11.479 -13.057 -3.052 1.00 0.00 C ATOM 21 O LYS A 9 -10.891 -12.222 -2.367 1.00 0.00 O ATOM 22 CB LYS A 9 -12.572 -11.800 -4.876 1.00 0.00 C ATOM 23 CG LYS A 9 -13.866 -11.392 -5.582 1.00 0.00 C ATOM 24 CD LYS A 9 -13.654 -10.221 -6.544 1.00 0.00 C ATOM 25 CE LYS A 9 -14.958 -9.729 -7.175 1.00 0.00 C ATOM 26 NZ LYS A 9 -14.729 -8.487 -7.946 1.00 0.00 N ATOM 0 H LYS A 9 -12.969 -11.057 -2.365 1.00 0.00 H new ATOM 0 HA LYS A 9 -13.382 -13.540 -3.907 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.024 -10.901 -4.592 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -11.943 -12.349 -5.577 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -14.262 -12.245 -6.132 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -14.613 -11.118 -4.837 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -13.182 -9.398 -6.008 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -12.966 -10.525 -7.333 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -15.365 -10.500 -7.830 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -15.699 -9.548 -6.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -15.626 -8.169 -8.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -14.362 -7.748 -7.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -14.038 -8.670 -8.702 1.00 0.00 H new ATOM 40 N PRO A 10 -10.931 -14.223 -3.227 1.00 0.00 N ATOM 41 CA PRO A 10 -9.614 -14.531 -2.753 1.00 0.00 C ATOM 42 C PRO A 10 -8.543 -13.802 -3.490 1.00 0.00 C ATOM 43 O PRO A 10 -8.368 -14.022 -4.687 1.00 0.00 O ATOM 44 CB PRO A 10 -9.460 -16.040 -2.928 1.00 0.00 C ATOM 45 CG PRO A 10 -10.906 -16.560 -2.909 1.00 0.00 C ATOM 46 CD PRO A 10 -11.667 -15.420 -3.605 1.00 0.00 C ATOM 0 HA PRO A 10 -9.504 -14.217 -1.715 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.959 -16.285 -3.864 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -8.867 -16.478 -2.125 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -11.007 -17.504 -3.445 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -11.265 -16.730 -1.894 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -11.684 -15.553 -4.687 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -12.704 -15.372 -3.274 1.00 0.00 H new ATOM 54 N GLY A 11 -7.802 -12.909 -2.810 1.00 0.00 N ATOM 55 CA GLY A 11 -6.703 -12.195 -3.381 1.00 0.00 C ATOM 56 C GLY A 11 -7.068 -11.205 -4.433 1.00 0.00 C ATOM 57 O GLY A 11 -6.479 -11.187 -5.512 1.00 0.00 O ATOM 0 H GLY A 11 -7.973 -12.677 -1.832 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.174 -11.674 -2.582 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.005 -12.915 -3.809 1.00 0.00 H new ATOM 61 N ASP A 12 -8.041 -10.320 -4.152 1.00 0.00 N ATOM 62 CA ASP A 12 -8.381 -9.239 -5.025 1.00 0.00 C ATOM 63 C ASP A 12 -7.368 -8.155 -4.882 1.00 0.00 C ATOM 64 O ASP A 12 -7.051 -7.748 -3.766 1.00 0.00 O ATOM 65 CB ASP A 12 -9.799 -8.733 -4.711 1.00 0.00 C ATOM 66 CG ASP A 12 -10.429 -7.997 -5.884 1.00 0.00 C ATOM 67 OD1 ASP A 12 -10.416 -8.569 -7.007 1.00 0.00 O ATOM 68 OD2 ASP A 12 -10.964 -6.871 -5.702 1.00 0.00 O ATOM 0 H ASP A 12 -8.603 -10.356 -3.302 1.00 0.00 H new ATOM 0 HA ASP A 12 -8.376 -9.581 -6.060 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -10.430 -9.578 -4.436 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.761 -8.069 -3.848 1.00 0.00 H new ATOM 73 N THR A 13 -6.781 -7.676 -5.994 1.00 0.00 N ATOM 74 CA THR A 13 -5.896 -6.554 -6.000 1.00 0.00 C ATOM 75 C THR A 13 -6.651 -5.293 -6.247 1.00 0.00 C ATOM 76 O THR A 13 -7.459 -5.189 -7.168 1.00 0.00 O ATOM 77 CB THR A 13 -4.750 -6.629 -6.965 1.00 0.00 C ATOM 78 OG1 THR A 13 -5.120 -7.206 -8.207 1.00 0.00 O ATOM 79 CG2 THR A 13 -3.647 -7.513 -6.357 1.00 0.00 C ATOM 0 H THR A 13 -6.927 -8.083 -6.918 1.00 0.00 H new ATOM 0 HA THR A 13 -5.449 -6.568 -5.006 1.00 0.00 H new ATOM 0 HB THR A 13 -4.412 -5.608 -7.144 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.341 -7.231 -8.801 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.808 -7.575 -7.050 1.00 0.00 H new ATOM 0 HG22 THR A 13 -3.310 -7.078 -5.416 1.00 0.00 H new ATOM 0 HG23 THR A 13 -4.041 -8.513 -6.174 1.00 0.00 H new ATOM 87 N PHE A 14 -6.406 -4.279 -5.398 1.00 0.00 N ATOM 88 CA PHE A 14 -7.038 -2.998 -5.462 1.00 0.00 C ATOM 89 C PHE A 14 -5.984 -1.955 -5.619 1.00 0.00 C ATOM 90 O PHE A 14 -5.086 -1.818 -4.789 1.00 0.00 O ATOM 91 CB PHE A 14 -7.993 -2.616 -4.318 1.00 0.00 C ATOM 92 CG PHE A 14 -7.747 -3.186 -2.963 1.00 0.00 C ATOM 93 CD1 PHE A 14 -7.662 -4.538 -2.731 1.00 0.00 C ATOM 94 CD2 PHE A 14 -7.707 -2.352 -1.872 1.00 0.00 C ATOM 95 CE1 PHE A 14 -7.394 -5.036 -1.478 1.00 0.00 C ATOM 96 CE2 PHE A 14 -7.432 -2.829 -0.611 1.00 0.00 C ATOM 97 CZ PHE A 14 -7.258 -4.177 -0.411 1.00 0.00 C ATOM 0 H PHE A 14 -5.737 -4.356 -4.632 1.00 0.00 H new ATOM 0 HA PHE A 14 -7.703 -3.063 -6.323 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -7.983 -1.530 -4.227 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.001 -2.901 -4.619 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -7.809 -5.225 -3.552 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.896 -1.297 -2.007 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.290 -6.101 -1.331 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.353 -2.144 0.221 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.018 -4.558 0.571 1.00 0.00 H new ATOM 107 N GLU A 15 -6.073 -1.174 -6.710 1.00 0.00 N ATOM 108 CA GLU A 15 -5.279 -0.008 -6.940 1.00 0.00 C ATOM 109 C GLU A 15 -5.928 1.203 -6.363 1.00 0.00 C ATOM 110 O GLU A 15 -6.709 1.911 -6.998 1.00 0.00 O ATOM 111 CB GLU A 15 -5.028 0.141 -8.450 1.00 0.00 C ATOM 112 CG GLU A 15 -3.589 0.590 -8.715 1.00 0.00 C ATOM 113 CD GLU A 15 -3.357 1.048 -10.147 1.00 0.00 C ATOM 114 OE1 GLU A 15 -4.267 0.900 -11.005 1.00 0.00 O ATOM 115 OE2 GLU A 15 -2.249 1.566 -10.451 1.00 0.00 O ATOM 0 H GLU A 15 -6.729 -1.365 -7.467 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.318 -0.117 -6.437 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.217 -0.809 -8.951 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.724 0.867 -8.870 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.339 1.404 -8.035 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.911 -0.233 -8.490 1.00 0.00 H new ATOM 122 N VAL A 16 -5.647 1.469 -5.075 1.00 0.00 N ATOM 123 CA VAL A 16 -6.213 2.524 -4.293 1.00 0.00 C ATOM 124 C VAL A 16 -5.462 3.799 -4.471 1.00 0.00 C ATOM 125 O VAL A 16 -4.336 3.933 -3.994 1.00 0.00 O ATOM 126 CB VAL A 16 -6.148 2.131 -2.846 1.00 0.00 C ATOM 127 CG1 VAL A 16 -6.720 3.235 -1.940 1.00 0.00 C ATOM 128 CG2 VAL A 16 -6.960 0.844 -2.629 1.00 0.00 C ATOM 0 H VAL A 16 -4.979 0.909 -4.545 1.00 0.00 H new ATOM 0 HA VAL A 16 -7.242 2.681 -4.618 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.101 1.973 -2.586 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.658 2.919 -0.899 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -6.146 4.151 -2.076 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.762 3.418 -2.203 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.914 0.557 -1.578 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.998 1.017 -2.913 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.545 0.044 -3.242 1.00 0.00 H new ATOM 138 N GLU A 17 -6.035 4.827 -5.121 1.00 0.00 N ATOM 139 CA GLU A 17 -5.365 6.076 -5.306 1.00 0.00 C ATOM 140 C GLU A 17 -5.812 7.008 -4.234 1.00 0.00 C ATOM 141 O GLU A 17 -7.003 7.247 -4.035 1.00 0.00 O ATOM 142 CB GLU A 17 -5.497 6.668 -6.719 1.00 0.00 C ATOM 143 CG GLU A 17 -5.649 8.186 -6.836 1.00 0.00 C ATOM 144 CD GLU A 17 -6.037 8.651 -8.233 1.00 0.00 C ATOM 145 OE1 GLU A 17 -7.137 8.261 -8.707 1.00 0.00 O ATOM 146 OE2 GLU A 17 -5.290 9.470 -8.831 1.00 0.00 O ATOM 0 H GLU A 17 -6.972 4.792 -5.522 1.00 0.00 H new ATOM 0 HA GLU A 17 -4.292 5.904 -5.219 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.618 6.373 -7.291 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -6.360 6.205 -7.199 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.404 8.523 -6.126 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -4.710 8.660 -6.551 1.00 0.00 H new ATOM 153 N LEU A 18 -4.832 7.525 -3.472 1.00 0.00 N ATOM 154 CA LEU A 18 -5.053 8.431 -2.389 1.00 0.00 C ATOM 155 C LEU A 18 -4.103 9.569 -2.538 1.00 0.00 C ATOM 156 O LEU A 18 -3.154 9.533 -3.319 1.00 0.00 O ATOM 157 CB LEU A 18 -4.708 7.808 -1.026 1.00 0.00 C ATOM 158 CG LEU A 18 -5.271 6.394 -0.795 1.00 0.00 C ATOM 159 CD1 LEU A 18 -4.563 5.767 0.418 1.00 0.00 C ATOM 160 CD2 LEU A 18 -6.805 6.402 -0.689 1.00 0.00 C ATOM 0 H LEU A 18 -3.847 7.303 -3.616 1.00 0.00 H new ATOM 0 HA LEU A 18 -6.105 8.716 -2.419 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.623 7.772 -0.924 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.080 8.464 -0.239 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.061 5.764 -1.659 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.955 4.765 0.590 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.492 5.709 0.224 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.740 6.382 1.300 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.164 5.386 -0.526 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.109 7.032 0.147 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.231 6.794 -1.612 1.00 0.00 H new ATOM 172 N ALA A 19 -4.290 10.592 -1.686 1.00 0.00 N ATOM 173 CA ALA A 19 -3.266 11.533 -1.355 1.00 0.00 C ATOM 174 C ALA A 19 -2.980 11.416 0.103 1.00 0.00 C ATOM 175 O ALA A 19 -3.894 11.418 0.925 1.00 0.00 O ATOM 176 CB ALA A 19 -3.701 12.936 -1.808 1.00 0.00 C ATOM 0 H ALA A 19 -5.177 10.770 -1.215 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.332 11.329 -1.878 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.923 13.657 -1.557 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.863 12.936 -2.886 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.627 13.211 -1.302 1.00 0.00 H new ATOM 182 N LYS A 20 -1.702 11.261 0.492 1.00 0.00 N ATOM 183 CA LYS A 20 -1.274 11.164 1.853 1.00 0.00 C ATOM 184 C LYS A 20 -1.442 12.471 2.549 1.00 0.00 C ATOM 185 O LYS A 20 -1.110 13.517 1.994 1.00 0.00 O ATOM 186 CB LYS A 20 0.191 10.741 2.051 1.00 0.00 C ATOM 187 CG LYS A 20 0.816 9.841 0.983 1.00 0.00 C ATOM 188 CD LYS A 20 2.087 10.443 0.379 1.00 0.00 C ATOM 189 CE LYS A 20 3.331 10.300 1.258 1.00 0.00 C ATOM 190 NZ LYS A 20 4.493 10.974 0.637 1.00 0.00 N ATOM 0 H LYS A 20 -0.931 11.201 -0.173 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.907 10.380 2.270 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.795 11.645 2.125 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.267 10.228 3.010 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.050 8.871 1.422 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.089 9.665 0.190 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.279 9.967 -0.582 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.916 11.501 0.182 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.138 10.729 2.241 1.00 0.00 H new ATOM 0 HE3 LYS A 20 3.555 9.244 1.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 5.327 10.356 0.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 4.284 11.176 -0.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.685 11.865 1.137 1.00 0.00 H new ATOM 204 N THR A 21 -1.942 12.501 3.797 1.00 0.00 N ATOM 205 CA THR A 21 -2.236 13.733 4.462 1.00 0.00 C ATOM 206 C THR A 21 -1.046 14.223 5.211 1.00 0.00 C ATOM 207 O THR A 21 -0.769 13.835 6.345 1.00 0.00 O ATOM 208 CB THR A 21 -3.504 13.677 5.264 1.00 0.00 C ATOM 209 OG1 THR A 21 -3.868 14.940 5.801 1.00 0.00 O ATOM 210 CG2 THR A 21 -3.524 12.637 6.396 1.00 0.00 C ATOM 0 H THR A 21 -2.144 11.667 4.349 1.00 0.00 H new ATOM 0 HA THR A 21 -2.448 14.487 3.704 1.00 0.00 H new ATOM 0 HB THR A 21 -4.238 13.358 4.524 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.699 14.851 6.312 1.00 0.00 H new ATOM 0 HG21 THR A 21 -4.483 12.679 6.912 1.00 0.00 H new ATOM 0 HG22 THR A 21 -3.380 11.641 5.977 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.722 12.853 7.102 1.00 0.00 H new ATOM 218 N ASP A 22 -0.225 15.068 4.563 1.00 0.00 N ATOM 219 CA ASP A 22 0.999 15.631 5.046 1.00 0.00 C ATOM 220 C ASP A 22 2.133 14.693 5.277 1.00 0.00 C ATOM 221 O ASP A 22 3.291 15.099 5.351 1.00 0.00 O ATOM 222 CB ASP A 22 0.740 16.590 6.222 1.00 0.00 C ATOM 223 CG ASP A 22 1.063 18.024 5.830 1.00 0.00 C ATOM 224 OD1 ASP A 22 2.255 18.313 5.543 1.00 0.00 O ATOM 225 OD2 ASP A 22 0.139 18.880 5.797 1.00 0.00 O ATOM 0 H ASP A 22 -0.438 15.385 3.617 1.00 0.00 H new ATOM 0 HA ASP A 22 1.379 16.210 4.204 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.302 16.519 6.532 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.348 16.296 7.078 1.00 0.00 H new ATOM 230 N GLY A 23 1.872 13.379 5.401 1.00 0.00 N ATOM 231 CA GLY A 23 2.873 12.360 5.478 1.00 0.00 C ATOM 232 C GLY A 23 2.345 11.181 6.221 1.00 0.00 C ATOM 233 O GLY A 23 2.890 10.810 7.260 1.00 0.00 O ATOM 0 H GLY A 23 0.922 13.011 5.450 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.177 12.061 4.475 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.760 12.748 5.978 1.00 0.00 H new ATOM 237 N SER A 24 1.273 10.560 5.697 1.00 0.00 N ATOM 238 CA SER A 24 0.538 9.515 6.339 1.00 0.00 C ATOM 239 C SER A 24 -0.561 9.116 5.416 1.00 0.00 C ATOM 240 O SER A 24 -1.426 9.888 5.006 1.00 0.00 O ATOM 241 CB SER A 24 -0.018 9.801 7.745 1.00 0.00 C ATOM 242 OG SER A 24 -0.853 10.949 7.786 1.00 0.00 O ATOM 0 H SER A 24 0.900 10.800 4.778 1.00 0.00 H new ATOM 0 HA SER A 24 1.257 8.718 6.529 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.583 8.935 8.090 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.812 9.937 8.438 1.00 0.00 H new ATOM 0 HG SER A 24 -0.445 11.669 7.261 1.00 0.00 H new ATOM 248 N LEU A 25 -0.532 7.832 5.017 1.00 0.00 N ATOM 249 CA LEU A 25 -1.620 7.101 4.446 1.00 0.00 C ATOM 250 C LEU A 25 -2.553 6.785 5.564 1.00 0.00 C ATOM 251 O LEU A 25 -3.766 6.980 5.523 1.00 0.00 O ATOM 252 CB LEU A 25 -1.074 5.761 3.925 1.00 0.00 C ATOM 253 CG LEU A 25 0.114 5.826 2.951 1.00 0.00 C ATOM 254 CD1 LEU A 25 0.807 4.453 2.912 1.00 0.00 C ATOM 255 CD2 LEU A 25 -0.329 6.306 1.559 1.00 0.00 C ATOM 0 H LEU A 25 0.312 7.266 5.100 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.102 7.664 3.647 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.776 5.159 4.784 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.889 5.231 3.431 1.00 0.00 H new ATOM 0 HG LEU A 25 0.836 6.563 3.303 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.651 4.491 2.223 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.164 4.197 3.910 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.098 3.697 2.576 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.534 6.341 0.894 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.070 5.616 1.155 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.765 7.302 1.639 1.00 0.00 H new ATOM 267 N GLY A 26 -1.952 6.282 6.658 1.00 0.00 N ATOM 268 CA GLY A 26 -2.612 5.919 7.873 1.00 0.00 C ATOM 269 C GLY A 26 -2.583 4.445 8.088 1.00 0.00 C ATOM 270 O GLY A 26 -3.560 3.859 8.552 1.00 0.00 O ATOM 0 H GLY A 26 -0.946 6.120 6.695 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -2.132 6.420 8.713 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.646 6.264 7.844 1.00 0.00 H new ATOM 274 N ILE A 27 -1.434 3.825 7.764 1.00 0.00 N ATOM 275 CA ILE A 27 -1.195 2.445 8.057 1.00 0.00 C ATOM 276 C ILE A 27 0.062 2.309 8.846 1.00 0.00 C ATOM 277 O ILE A 27 1.069 2.961 8.578 1.00 0.00 O ATOM 278 CB ILE A 27 -1.205 1.575 6.836 1.00 0.00 C ATOM 279 CG1 ILE A 27 -0.174 1.995 5.775 1.00 0.00 C ATOM 280 CG2 ILE A 27 -2.640 1.601 6.284 1.00 0.00 C ATOM 281 CD1 ILE A 27 -0.078 1.028 4.597 1.00 0.00 C ATOM 0 H ILE A 27 -0.658 4.289 7.291 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.025 2.082 8.664 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.907 0.563 7.109 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.434 2.985 5.401 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.805 2.079 6.246 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.697 0.979 5.391 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.327 1.217 7.038 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.914 2.625 6.031 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.669 1.389 3.890 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.212 0.042 4.959 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.046 0.962 4.101 1.00 0.00 H new ATOM 293 N SER A 28 0.016 1.457 9.887 1.00 0.00 N ATOM 294 CA SER A 28 1.153 0.932 10.577 1.00 0.00 C ATOM 295 C SER A 28 1.647 -0.321 9.937 1.00 0.00 C ATOM 296 O SER A 28 0.915 -1.304 9.843 1.00 0.00 O ATOM 297 CB SER A 28 0.864 0.524 12.031 1.00 0.00 C ATOM 298 OG SER A 28 0.655 1.665 12.850 1.00 0.00 O ATOM 0 H SER A 28 -0.866 1.116 10.268 1.00 0.00 H new ATOM 0 HA SER A 28 1.874 1.749 10.540 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.017 -0.117 12.064 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.698 -0.060 12.421 1.00 0.00 H new ATOM 0 HG SER A 28 0.471 1.379 13.769 1.00 0.00 H new ATOM 304 N VAL A 29 2.919 -0.341 9.501 1.00 0.00 N ATOM 305 CA VAL A 29 3.473 -1.437 8.768 1.00 0.00 C ATOM 306 C VAL A 29 4.075 -2.539 9.569 1.00 0.00 C ATOM 307 O VAL A 29 4.785 -2.350 10.555 1.00 0.00 O ATOM 308 CB VAL A 29 4.439 -0.949 7.729 1.00 0.00 C ATOM 309 CG1 VAL A 29 3.649 -0.133 6.692 1.00 0.00 C ATOM 310 CG2 VAL A 29 5.563 -0.118 8.373 1.00 0.00 C ATOM 0 H VAL A 29 3.577 0.421 9.661 1.00 0.00 H new ATOM 0 HA VAL A 29 2.605 -1.899 8.298 1.00 0.00 H new ATOM 0 HB VAL A 29 4.922 -1.792 7.235 1.00 0.00 H new ATOM 0 HG11 VAL A 29 4.329 0.234 5.923 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.890 -0.766 6.232 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.167 0.712 7.184 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.251 0.225 7.600 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.132 0.743 8.883 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.103 -0.733 9.093 1.00 0.00 H new ATOM 320 N THR A 30 3.816 -3.791 9.151 1.00 0.00 N ATOM 321 CA THR A 30 4.324 -5.021 9.676 1.00 0.00 C ATOM 322 C THR A 30 4.661 -5.921 8.536 1.00 0.00 C ATOM 323 O THR A 30 4.419 -5.606 7.372 1.00 0.00 O ATOM 324 CB THR A 30 3.360 -5.679 10.619 1.00 0.00 C ATOM 325 OG1 THR A 30 3.842 -6.858 11.246 1.00 0.00 O ATOM 326 CG2 THR A 30 2.043 -6.051 9.919 1.00 0.00 C ATOM 0 H THR A 30 3.187 -3.956 8.365 1.00 0.00 H new ATOM 0 HA THR A 30 5.220 -4.809 10.260 1.00 0.00 H new ATOM 0 HB THR A 30 3.210 -4.921 11.387 1.00 0.00 H new ATOM 0 HG1 THR A 30 3.152 -7.217 11.842 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.372 -6.525 10.635 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.574 -5.150 9.523 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.248 -6.742 9.101 1.00 0.00 H new ATOM 334 N GLY A 31 5.236 -7.105 8.810 1.00 0.00 N ATOM 335 CA GLY A 31 5.565 -8.102 7.840 1.00 0.00 C ATOM 336 C GLY A 31 6.922 -7.921 7.252 1.00 0.00 C ATOM 337 O GLY A 31 7.914 -7.796 7.968 1.00 0.00 O ATOM 0 H GLY A 31 5.485 -7.381 9.760 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.505 -9.086 8.305 1.00 0.00 H new ATOM 0 HA3 GLY A 31 4.824 -8.081 7.041 1.00 0.00 H new ATOM 341 N GLY A 32 7.034 -7.907 5.911 1.00 0.00 N ATOM 342 CA GLY A 32 8.262 -7.599 5.246 1.00 0.00 C ATOM 343 C GLY A 32 9.143 -8.775 4.998 1.00 0.00 C ATOM 344 O GLY A 32 9.002 -9.828 5.618 1.00 0.00 O ATOM 0 H GLY A 32 6.260 -8.113 5.279 1.00 0.00 H new ATOM 0 HA2 GLY A 32 8.034 -7.124 4.292 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.810 -6.870 5.842 1.00 0.00 H new ATOM 348 N VAL A 33 10.125 -8.615 4.095 1.00 0.00 N ATOM 349 CA VAL A 33 11.026 -9.622 3.624 1.00 0.00 C ATOM 350 C VAL A 33 11.865 -10.248 4.683 1.00 0.00 C ATOM 351 O VAL A 33 12.310 -11.389 4.561 1.00 0.00 O ATOM 352 CB VAL A 33 11.844 -9.111 2.476 1.00 0.00 C ATOM 353 CG1 VAL A 33 13.021 -8.217 2.902 1.00 0.00 C ATOM 354 CG2 VAL A 33 12.354 -10.272 1.605 1.00 0.00 C ATOM 0 H VAL A 33 10.303 -7.710 3.660 1.00 0.00 H new ATOM 0 HA VAL A 33 10.399 -10.438 3.265 1.00 0.00 H new ATOM 0 HB VAL A 33 11.170 -8.482 1.894 1.00 0.00 H new ATOM 0 HG11 VAL A 33 13.565 -7.886 2.018 1.00 0.00 H new ATOM 0 HG12 VAL A 33 12.642 -7.349 3.441 1.00 0.00 H new ATOM 0 HG13 VAL A 33 13.691 -8.782 3.550 1.00 0.00 H new ATOM 0 HG21 VAL A 33 12.944 -9.875 0.779 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.974 -10.935 2.209 1.00 0.00 H new ATOM 0 HG23 VAL A 33 11.505 -10.830 1.209 1.00 0.00 H new ATOM 364 N ASN A 34 12.094 -9.551 5.810 1.00 0.00 N ATOM 365 CA ASN A 34 12.806 -10.098 6.922 1.00 0.00 C ATOM 366 C ASN A 34 11.961 -10.885 7.864 1.00 0.00 C ATOM 367 O ASN A 34 12.444 -11.327 8.905 1.00 0.00 O ATOM 368 CB ASN A 34 13.571 -9.018 7.704 1.00 0.00 C ATOM 369 CG ASN A 34 15.009 -8.891 7.219 1.00 0.00 C ATOM 370 OD1 ASN A 34 15.949 -9.204 7.948 1.00 0.00 O ATOM 371 ND2 ASN A 34 15.191 -8.415 5.959 1.00 0.00 N ATOM 0 H ASN A 34 11.779 -8.591 5.951 1.00 0.00 H new ATOM 0 HA ASN A 34 13.514 -10.793 6.470 1.00 0.00 H new ATOM 0 HB2 ASN A 34 13.063 -8.060 7.595 1.00 0.00 H new ATOM 0 HB3 ASN A 34 13.564 -9.263 8.766 1.00 0.00 H new ATOM 0 HD21 ASN A 34 16.134 -8.306 5.586 1.00 0.00 H new ATOM 0 HD22 ASN A 34 14.384 -8.167 5.386 1.00 0.00 H new ATOM 378 N THR A 35 10.678 -11.140 7.551 1.00 0.00 N ATOM 379 CA THR A 35 9.893 -12.130 8.220 1.00 0.00 C ATOM 380 C THR A 35 9.390 -13.086 7.194 1.00 0.00 C ATOM 381 O THR A 35 9.601 -12.910 5.995 1.00 0.00 O ATOM 382 CB THR A 35 8.790 -11.609 9.093 1.00 0.00 C ATOM 383 OG1 THR A 35 7.713 -11.022 8.378 1.00 0.00 O ATOM 384 CG2 THR A 35 9.303 -10.535 10.066 1.00 0.00 C ATOM 0 H THR A 35 10.174 -10.646 6.815 1.00 0.00 H new ATOM 0 HA THR A 35 10.547 -12.627 8.937 1.00 0.00 H new ATOM 0 HB THR A 35 8.431 -12.495 9.617 1.00 0.00 H new ATOM 0 HG1 THR A 35 8.048 -10.631 7.544 1.00 0.00 H new ATOM 0 HG21 THR A 35 8.478 -10.179 10.683 1.00 0.00 H new ATOM 0 HG22 THR A 35 10.076 -10.962 10.705 1.00 0.00 H new ATOM 0 HG23 THR A 35 9.719 -9.701 9.501 1.00 0.00 H new ATOM 392 N SER A 36 8.711 -14.176 7.596 1.00 0.00 N ATOM 393 CA SER A 36 8.314 -15.209 6.690 1.00 0.00 C ATOM 394 C SER A 36 6.993 -14.980 6.042 1.00 0.00 C ATOM 395 O SER A 36 6.069 -15.788 6.137 1.00 0.00 O ATOM 396 CB SER A 36 8.325 -16.599 7.350 1.00 0.00 C ATOM 397 OG SER A 36 9.608 -16.858 7.898 1.00 0.00 O ATOM 0 H SER A 36 8.434 -14.342 8.563 1.00 0.00 H new ATOM 0 HA SER A 36 9.069 -15.175 5.904 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.568 -16.646 8.133 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.072 -17.363 6.615 1.00 0.00 H new ATOM 0 HG SER A 36 9.611 -17.743 8.319 1.00 0.00 H new ATOM 403 N VAL A 37 6.865 -13.868 5.296 1.00 0.00 N ATOM 404 CA VAL A 37 5.735 -13.514 4.494 1.00 0.00 C ATOM 405 C VAL A 37 5.796 -14.182 3.164 1.00 0.00 C ATOM 406 O VAL A 37 6.584 -15.104 2.958 1.00 0.00 O ATOM 407 CB VAL A 37 5.654 -12.024 4.347 1.00 0.00 C ATOM 408 CG1 VAL A 37 5.419 -11.391 5.730 1.00 0.00 C ATOM 409 CG2 VAL A 37 6.911 -11.418 3.701 1.00 0.00 C ATOM 0 H VAL A 37 7.605 -13.167 5.251 1.00 0.00 H new ATOM 0 HA VAL A 37 4.831 -13.860 4.995 1.00 0.00 H new ATOM 0 HB VAL A 37 4.821 -11.806 3.679 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.359 -10.307 5.629 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.486 -11.768 6.149 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.245 -11.648 6.393 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.794 -10.337 3.621 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.782 -11.644 4.317 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.050 -11.843 2.707 1.00 0.00 H new ATOM 419 N ARG A 38 5.009 -13.757 2.160 1.00 0.00 N ATOM 420 CA ARG A 38 5.160 -14.200 0.809 1.00 0.00 C ATOM 421 C ARG A 38 6.306 -13.531 0.131 1.00 0.00 C ATOM 422 O ARG A 38 6.130 -12.788 -0.833 1.00 0.00 O ATOM 423 CB ARG A 38 3.880 -13.986 -0.017 1.00 0.00 C ATOM 424 CG ARG A 38 2.782 -15.016 0.254 1.00 0.00 C ATOM 425 CD ARG A 38 1.621 -14.917 -0.738 1.00 0.00 C ATOM 426 NE ARG A 38 0.791 -16.150 -0.636 1.00 0.00 N ATOM 427 CZ ARG A 38 1.138 -17.329 -1.229 1.00 0.00 C ATOM 428 NH1 ARG A 38 2.277 -17.463 -1.970 1.00 0.00 N ATOM 429 NH2 ARG A 38 0.377 -18.455 -1.099 1.00 0.00 N ATOM 0 H ARG A 38 4.249 -13.089 2.290 1.00 0.00 H new ATOM 0 HA ARG A 38 5.361 -15.270 0.865 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.488 -12.990 0.191 1.00 0.00 H new ATOM 0 HB3 ARG A 38 4.135 -14.013 -1.076 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.210 -16.018 0.208 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.402 -14.878 1.266 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.016 -14.037 -0.523 1.00 0.00 H new ATOM 0 HD3 ARG A 38 2.001 -14.802 -1.753 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.075 -16.111 -0.099 1.00 0.00 H new ATOM 0 HH11 ARG A 38 2.901 -16.666 -2.095 1.00 0.00 H new ATOM 0 HH12 ARG A 38 2.504 -18.360 -2.399 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.479 -18.431 -0.545 1.00 0.00 H new ATOM 0 HH22 ARG A 38 0.665 -19.321 -1.555 1.00 0.00 H new ATOM 443 N HIS A 39 7.527 -13.776 0.638 1.00 0.00 N ATOM 444 CA HIS A 39 8.832 -13.321 0.269 1.00 0.00 C ATOM 445 C HIS A 39 9.022 -11.978 -0.346 1.00 0.00 C ATOM 446 O HIS A 39 9.957 -11.741 -1.109 1.00 0.00 O ATOM 447 CB HIS A 39 9.627 -14.423 -0.452 1.00 0.00 C ATOM 448 CG HIS A 39 8.990 -14.988 -1.687 1.00 0.00 C ATOM 449 ND1 HIS A 39 9.123 -14.332 -2.894 1.00 0.00 N ATOM 450 CD2 HIS A 39 8.315 -16.158 -1.846 1.00 0.00 C ATOM 451 CE1 HIS A 39 8.536 -15.121 -3.773 1.00 0.00 C ATOM 452 NE2 HIS A 39 8.025 -16.240 -3.192 1.00 0.00 N ATOM 0 H HIS A 39 7.602 -14.399 1.442 1.00 0.00 H new ATOM 0 HA HIS A 39 9.254 -13.112 1.252 1.00 0.00 H new ATOM 0 HB2 HIS A 39 10.604 -14.022 -0.721 1.00 0.00 H new ATOM 0 HB3 HIS A 39 9.799 -15.239 0.250 1.00 0.00 H new ATOM 0 HD2 HIS A 39 8.059 -16.874 -1.079 1.00 0.00 H new ATOM 0 HE1 HIS A 39 8.469 -14.904 -4.829 1.00 0.00 H new ATOM 0 HE2 HIS A 39 7.524 -16.994 -3.661 1.00 0.00 H new ATOM 460 N GLY A 40 8.175 -10.991 0.001 1.00 0.00 N ATOM 461 CA GLY A 40 8.267 -9.662 -0.517 1.00 0.00 C ATOM 462 C GLY A 40 6.932 -9.001 -0.484 1.00 0.00 C ATOM 463 O GLY A 40 5.996 -9.380 -1.186 1.00 0.00 O ATOM 0 H GLY A 40 7.407 -11.121 0.659 1.00 0.00 H new ATOM 0 HA2 GLY A 40 8.981 -9.084 0.070 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.642 -9.688 -1.540 1.00 0.00 H new ATOM 467 N GLY A 41 6.792 -7.978 0.377 1.00 0.00 N ATOM 468 CA GLY A 41 5.578 -7.243 0.549 1.00 0.00 C ATOM 469 C GLY A 41 5.515 -6.778 1.962 1.00 0.00 C ATOM 470 O GLY A 41 5.991 -7.465 2.864 1.00 0.00 O ATOM 0 H GLY A 41 7.551 -7.651 0.975 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.548 -6.393 -0.133 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.717 -7.870 0.316 1.00 0.00 H new ATOM 474 N ILE A 42 4.916 -5.599 2.206 1.00 0.00 N ATOM 475 CA ILE A 42 4.691 -5.119 3.534 1.00 0.00 C ATOM 476 C ILE A 42 3.235 -5.286 3.807 1.00 0.00 C ATOM 477 O ILE A 42 2.447 -5.494 2.887 1.00 0.00 O ATOM 478 CB ILE A 42 5.230 -3.739 3.766 1.00 0.00 C ATOM 479 CG1 ILE A 42 5.608 -3.492 5.236 1.00 0.00 C ATOM 480 CG2 ILE A 42 4.276 -2.618 3.322 1.00 0.00 C ATOM 481 CD1 ILE A 42 6.830 -4.273 5.718 1.00 0.00 C ATOM 0 H ILE A 42 4.584 -4.971 1.474 1.00 0.00 H new ATOM 0 HA ILE A 42 5.257 -5.701 4.261 1.00 0.00 H new ATOM 0 HB ILE A 42 6.123 -3.702 3.142 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.795 -2.427 5.375 1.00 0.00 H new ATOM 0 HG13 ILE A 42 4.756 -3.751 5.865 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.735 -1.650 3.521 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.076 -2.712 2.255 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.340 -2.697 3.875 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.023 -4.037 6.765 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.642 -5.342 5.615 1.00 0.00 H new ATOM 0 HD13 ILE A 42 7.698 -3.998 5.118 1.00 0.00 H new ATOM 493 N TYR A 43 2.799 -5.298 5.080 1.00 0.00 N ATOM 494 CA TYR A 43 1.450 -5.625 5.425 1.00 0.00 C ATOM 495 C TYR A 43 1.007 -4.631 6.443 1.00 0.00 C ATOM 496 O TYR A 43 1.825 -3.988 7.099 1.00 0.00 O ATOM 497 CB TYR A 43 1.369 -7.013 6.082 1.00 0.00 C ATOM 498 CG TYR A 43 1.672 -8.142 5.158 1.00 0.00 C ATOM 499 CD1 TYR A 43 2.949 -8.390 4.712 1.00 0.00 C ATOM 500 CD2 TYR A 43 0.662 -9.001 4.792 1.00 0.00 C ATOM 501 CE1 TYR A 43 3.200 -9.439 3.859 1.00 0.00 C ATOM 502 CE2 TYR A 43 0.916 -10.080 3.978 1.00 0.00 C ATOM 503 CZ TYR A 43 2.188 -10.297 3.500 1.00 0.00 C ATOM 504 OH TYR A 43 2.455 -11.399 2.661 1.00 0.00 O ATOM 0 H TYR A 43 3.391 -5.078 5.881 1.00 0.00 H new ATOM 0 HA TYR A 43 0.836 -5.618 4.525 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.064 -7.047 6.921 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.368 -7.151 6.492 1.00 0.00 H new ATOM 0 HD1 TYR A 43 3.761 -7.756 5.034 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.342 -8.826 5.148 1.00 0.00 H new ATOM 0 HE1 TYR A 43 4.196 -9.589 3.470 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.117 -10.757 3.714 1.00 0.00 H new ATOM 0 HH TYR A 43 1.628 -11.902 2.508 1.00 0.00 H new ATOM 514 N VAL A 44 -0.312 -4.457 6.640 1.00 0.00 N ATOM 515 CA VAL A 44 -0.825 -3.561 7.629 1.00 0.00 C ATOM 516 C VAL A 44 -1.070 -4.241 8.933 1.00 0.00 C ATOM 517 O VAL A 44 -1.648 -5.325 8.983 1.00 0.00 O ATOM 518 CB VAL A 44 -2.105 -2.926 7.171 1.00 0.00 C ATOM 519 CG1 VAL A 44 -2.383 -1.711 8.071 1.00 0.00 C ATOM 520 CG2 VAL A 44 -2.017 -2.509 5.694 1.00 0.00 C ATOM 0 H VAL A 44 -1.032 -4.944 6.106 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.061 -2.796 7.771 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.923 -3.642 7.250 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.310 -1.231 7.758 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.476 -2.039 9.106 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.560 -1.001 7.988 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.958 -2.052 5.388 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.206 -1.792 5.566 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.824 -3.388 5.079 1.00 0.00 H new ATOM 530 N LYS A 45 -0.652 -3.633 10.057 1.00 0.00 N ATOM 531 CA LYS A 45 -0.961 -4.078 11.379 1.00 0.00 C ATOM 532 C LYS A 45 -2.084 -3.295 11.969 1.00 0.00 C ATOM 533 O LYS A 45 -2.913 -3.814 12.714 1.00 0.00 O ATOM 534 CB LYS A 45 0.251 -3.972 12.320 1.00 0.00 C ATOM 535 CG LYS A 45 0.472 -5.164 13.253 1.00 0.00 C ATOM 536 CD LYS A 45 -0.628 -5.449 14.278 1.00 0.00 C ATOM 537 CE LYS A 45 -0.351 -6.697 15.118 1.00 0.00 C ATOM 538 NZ LYS A 45 -1.527 -7.096 15.922 1.00 0.00 N ATOM 0 H LYS A 45 -0.073 -2.794 10.043 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.251 -5.124 11.284 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.147 -3.837 11.715 1.00 0.00 H new ATOM 0 HB3 LYS A 45 0.139 -3.074 12.928 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.605 -6.055 12.640 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.406 -5.005 13.792 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.733 -4.589 14.939 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.579 -5.570 13.759 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.064 -7.519 14.462 1.00 0.00 H new ATOM 0 HE3 LYS A 45 0.494 -6.508 15.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.297 -7.945 16.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -1.786 -6.322 16.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.326 -7.302 15.289 1.00 0.00 H new ATOM 552 N ALA A 46 -2.157 -1.981 11.685 1.00 0.00 N ATOM 553 CA ALA A 46 -3.153 -1.136 12.267 1.00 0.00 C ATOM 554 C ALA A 46 -3.569 -0.053 11.333 1.00 0.00 C ATOM 555 O ALA A 46 -2.744 0.661 10.766 1.00 0.00 O ATOM 556 CB ALA A 46 -2.653 -0.535 13.592 1.00 0.00 C ATOM 0 H ALA A 46 -1.521 -1.502 11.048 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.026 -1.756 12.470 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.427 0.104 14.017 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.422 -1.338 14.292 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.755 0.056 13.408 1.00 0.00 H new ATOM 562 N ILE A 47 -4.894 0.101 11.152 1.00 0.00 N ATOM 563 CA ILE A 47 -5.527 1.094 10.341 1.00 0.00 C ATOM 564 C ILE A 47 -5.905 2.249 11.203 1.00 0.00 C ATOM 565 O ILE A 47 -6.401 2.084 12.317 1.00 0.00 O ATOM 566 CB ILE A 47 -6.748 0.520 9.686 1.00 0.00 C ATOM 567 CG1 ILE A 47 -6.435 -0.708 8.815 1.00 0.00 C ATOM 568 CG2 ILE A 47 -7.511 1.571 8.861 1.00 0.00 C ATOM 569 CD1 ILE A 47 -5.571 -0.388 7.597 1.00 0.00 C ATOM 0 H ILE A 47 -5.570 -0.514 11.606 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.840 1.426 9.562 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.389 0.192 10.504 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.927 -1.456 9.424 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.371 -1.153 8.479 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -8.387 1.110 8.405 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.827 2.386 9.513 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -6.860 1.963 8.080 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.390 -1.301 7.029 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -6.086 0.336 6.966 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -4.619 0.029 7.926 1.00 0.00 H new ATOM 581 N ILE A 48 -5.679 3.494 10.747 1.00 0.00 N ATOM 582 CA ILE A 48 -6.147 4.665 11.420 1.00 0.00 C ATOM 583 C ILE A 48 -7.584 4.901 11.102 1.00 0.00 C ATOM 584 O ILE A 48 -7.904 4.867 9.915 1.00 0.00 O ATOM 585 CB ILE A 48 -5.354 5.863 10.988 1.00 0.00 C ATOM 586 CG1 ILE A 48 -3.895 5.672 11.433 1.00 0.00 C ATOM 587 CG2 ILE A 48 -5.929 7.178 11.540 1.00 0.00 C ATOM 588 CD1 ILE A 48 -3.018 6.859 11.038 1.00 0.00 C ATOM 0 H ILE A 48 -5.159 3.691 9.892 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.028 4.513 12.493 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.408 5.941 9.902 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -3.860 5.539 12.514 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.496 4.761 10.987 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -5.319 8.014 11.198 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.951 7.306 11.184 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -5.925 7.148 12.630 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.995 6.683 11.372 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.031 6.976 9.954 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.401 7.766 11.506 1.00 0.00 H new ATOM 600 N PRO A 49 -8.475 5.203 12.000 1.00 0.00 N ATOM 601 CA PRO A 49 -9.794 5.671 11.686 1.00 0.00 C ATOM 602 C PRO A 49 -9.834 6.928 10.887 1.00 0.00 C ATOM 603 O PRO A 49 -9.712 8.021 11.437 1.00 0.00 O ATOM 604 CB PRO A 49 -10.483 5.836 13.039 1.00 0.00 C ATOM 605 CG PRO A 49 -9.800 4.773 13.914 1.00 0.00 C ATOM 606 CD PRO A 49 -8.352 4.842 13.404 1.00 0.00 C ATOM 0 HA PRO A 49 -10.299 4.956 11.036 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -10.344 6.839 13.442 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -11.558 5.668 12.967 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -9.873 5.007 14.976 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -10.237 3.784 13.775 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -7.773 5.583 13.955 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -7.843 3.886 13.524 1.00 0.00 H new ATOM 614 N LYS A 50 -9.975 6.784 9.558 1.00 0.00 N ATOM 615 CA LYS A 50 -10.175 7.821 8.593 1.00 0.00 C ATOM 616 C LYS A 50 -9.029 8.764 8.455 1.00 0.00 C ATOM 617 O LYS A 50 -9.172 9.981 8.563 1.00 0.00 O ATOM 618 CB LYS A 50 -11.521 8.549 8.751 1.00 0.00 C ATOM 619 CG LYS A 50 -12.769 7.680 8.583 1.00 0.00 C ATOM 620 CD LYS A 50 -13.052 7.254 7.141 1.00 0.00 C ATOM 621 CE LYS A 50 -14.502 6.848 6.868 1.00 0.00 C ATOM 622 NZ LYS A 50 -14.825 5.492 7.367 1.00 0.00 N ATOM 0 H LYS A 50 -9.946 5.862 9.122 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.222 7.291 7.641 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.551 9.008 9.739 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.563 9.358 8.022 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -12.661 6.787 9.198 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -13.632 8.227 8.964 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -12.787 8.075 6.475 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -12.401 6.417 6.889 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -15.170 7.571 7.336 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -14.689 6.889 5.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -15.819 5.271 7.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -14.209 4.795 6.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -14.675 5.456 8.395 1.00 0.00 H new ATOM 636 N GLY A 51 -7.836 8.238 8.124 1.00 0.00 N ATOM 637 CA GLY A 51 -6.796 9.020 7.530 1.00 0.00 C ATOM 638 C GLY A 51 -7.034 9.106 6.061 1.00 0.00 C ATOM 639 O GLY A 51 -8.020 9.687 5.610 1.00 0.00 O ATOM 0 H GLY A 51 -7.590 7.259 8.270 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.778 10.018 7.968 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -5.824 8.568 7.728 1.00 0.00 H new ATOM 643 N ALA A 52 -6.153 8.497 5.248 1.00 0.00 N ATOM 644 CA ALA A 52 -6.341 8.390 3.834 1.00 0.00 C ATOM 645 C ALA A 52 -6.639 6.982 3.447 1.00 0.00 C ATOM 646 O ALA A 52 -7.565 6.703 2.687 1.00 0.00 O ATOM 647 CB ALA A 52 -5.067 8.901 3.141 1.00 0.00 C ATOM 0 H ALA A 52 -5.289 8.069 5.581 1.00 0.00 H new ATOM 0 HA ALA A 52 -7.194 8.993 3.522 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.187 8.829 2.060 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.894 9.941 3.418 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -4.216 8.296 3.453 1.00 0.00 H new ATOM 653 N ALA A 53 -5.882 6.017 3.998 1.00 0.00 N ATOM 654 CA ALA A 53 -5.963 4.618 3.714 1.00 0.00 C ATOM 655 C ALA A 53 -7.260 3.983 4.082 1.00 0.00 C ATOM 656 O ALA A 53 -7.928 3.371 3.251 1.00 0.00 O ATOM 657 CB ALA A 53 -4.780 3.929 4.413 1.00 0.00 C ATOM 0 H ALA A 53 -5.164 6.230 4.690 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.910 4.493 2.632 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.814 2.858 4.215 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.844 4.339 4.033 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.842 4.101 5.488 1.00 0.00 H new ATOM 663 N GLU A 54 -7.726 4.165 5.331 1.00 0.00 N ATOM 664 CA GLU A 54 -9.032 3.772 5.760 1.00 0.00 C ATOM 665 C GLU A 54 -10.121 4.434 4.988 1.00 0.00 C ATOM 666 O GLU A 54 -11.210 3.895 4.797 1.00 0.00 O ATOM 667 CB GLU A 54 -9.223 4.159 7.237 1.00 0.00 C ATOM 668 CG GLU A 54 -10.580 3.890 7.890 1.00 0.00 C ATOM 669 CD GLU A 54 -11.068 2.455 8.025 1.00 0.00 C ATOM 670 OE1 GLU A 54 -10.723 1.550 7.219 1.00 0.00 O ATOM 671 OE2 GLU A 54 -11.870 2.229 8.971 1.00 0.00 O ATOM 0 H GLU A 54 -7.173 4.602 6.069 1.00 0.00 H new ATOM 0 HA GLU A 54 -9.097 2.695 5.603 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.465 3.634 7.818 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.015 5.225 7.330 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.554 4.323 8.890 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.331 4.440 7.323 1.00 0.00 H new ATOM 678 N SER A 55 -9.855 5.647 4.471 1.00 0.00 N ATOM 679 CA SER A 55 -10.795 6.350 3.655 1.00 0.00 C ATOM 680 C SER A 55 -11.057 5.733 2.324 1.00 0.00 C ATOM 681 O SER A 55 -12.071 6.042 1.701 1.00 0.00 O ATOM 682 CB SER A 55 -10.447 7.836 3.465 1.00 0.00 C ATOM 683 OG SER A 55 -11.616 8.628 3.316 1.00 0.00 O ATOM 0 H SER A 55 -8.978 6.145 4.621 1.00 0.00 H new ATOM 0 HA SER A 55 -11.715 6.271 4.234 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.873 8.189 4.322 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.812 7.953 2.587 1.00 0.00 H new ATOM 0 HG SER A 55 -12.253 8.165 2.732 1.00 0.00 H new ATOM 689 N ASP A 56 -10.233 4.782 1.846 1.00 0.00 N ATOM 690 CA ASP A 56 -10.629 3.869 0.820 1.00 0.00 C ATOM 691 C ASP A 56 -11.587 2.887 1.399 1.00 0.00 C ATOM 692 O ASP A 56 -12.779 2.884 1.097 1.00 0.00 O ATOM 693 CB ASP A 56 -9.387 3.170 0.240 1.00 0.00 C ATOM 694 CG ASP A 56 -9.784 2.057 -0.720 1.00 0.00 C ATOM 695 OD1 ASP A 56 -10.384 2.366 -1.784 1.00 0.00 O ATOM 696 OD2 ASP A 56 -9.619 0.874 -0.318 1.00 0.00 O ATOM 0 H ASP A 56 -9.278 4.646 2.177 1.00 0.00 H new ATOM 0 HA ASP A 56 -11.121 4.400 0.005 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -8.765 3.899 -0.280 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.786 2.758 1.051 1.00 0.00 H new ATOM 701 N GLY A 57 -11.084 1.987 2.264 1.00 0.00 N ATOM 702 CA GLY A 57 -11.913 1.138 3.061 1.00 0.00 C ATOM 703 C GLY A 57 -12.090 -0.235 2.510 1.00 0.00 C ATOM 704 O GLY A 57 -12.846 -1.040 3.051 1.00 0.00 O ATOM 0 H GLY A 57 -10.085 1.847 2.412 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -11.484 1.064 4.060 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -12.893 1.603 3.169 1.00 0.00 H new ATOM 708 N ARG A 58 -11.375 -0.596 1.429 1.00 0.00 N ATOM 709 CA ARG A 58 -11.236 -1.962 1.033 1.00 0.00 C ATOM 710 C ARG A 58 -10.212 -2.618 1.895 1.00 0.00 C ATOM 711 O ARG A 58 -10.257 -3.821 2.149 1.00 0.00 O ATOM 712 CB ARG A 58 -10.803 -2.073 -0.439 1.00 0.00 C ATOM 713 CG ARG A 58 -11.753 -1.434 -1.456 1.00 0.00 C ATOM 714 CD ARG A 58 -11.124 -1.357 -2.847 1.00 0.00 C ATOM 715 NE ARG A 58 -12.049 -0.627 -3.758 1.00 0.00 N ATOM 716 CZ ARG A 58 -13.157 -1.176 -4.337 1.00 0.00 C ATOM 717 NH1 ARG A 58 -13.363 -2.524 -4.393 1.00 0.00 N ATOM 718 NH2 ARG A 58 -14.104 -0.348 -4.866 1.00 0.00 N ATOM 0 H ARG A 58 -10.889 0.066 0.824 1.00 0.00 H new ATOM 0 HA ARG A 58 -12.202 -2.454 1.146 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -9.821 -1.613 -0.546 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -10.689 -3.128 -0.687 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -12.676 -2.012 -1.505 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -12.022 -0.432 -1.123 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -10.163 -0.845 -2.798 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -10.932 -2.360 -3.229 1.00 0.00 H new ATOM 0 HE ARG A 58 -11.840 0.350 -3.963 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -12.675 -3.162 -3.993 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -14.205 -2.893 -4.835 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -13.978 0.663 -4.825 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -14.938 -0.740 -5.302 1.00 0.00 H new ATOM 732 N ILE A 59 -9.253 -1.830 2.411 1.00 0.00 N ATOM 733 CA ILE A 59 -8.191 -2.255 3.270 1.00 0.00 C ATOM 734 C ILE A 59 -8.634 -2.663 4.633 1.00 0.00 C ATOM 735 O ILE A 59 -9.534 -2.072 5.228 1.00 0.00 O ATOM 736 CB ILE A 59 -7.108 -1.228 3.427 1.00 0.00 C ATOM 737 CG1 ILE A 59 -7.208 -0.077 2.414 1.00 0.00 C ATOM 738 CG2 ILE A 59 -5.762 -1.969 3.355 1.00 0.00 C ATOM 739 CD1 ILE A 59 -6.067 0.933 2.541 1.00 0.00 C ATOM 0 H ILE A 59 -9.217 -0.830 2.215 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.798 -3.130 2.752 1.00 0.00 H new ATOM 0 HB ILE A 59 -7.213 -0.732 4.392 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.211 -0.488 1.405 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.159 0.438 2.551 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.947 -1.254 3.465 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.709 -2.706 4.156 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -5.675 -2.473 2.392 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -6.194 1.721 1.799 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.077 1.370 3.540 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.115 0.429 2.375 1.00 0.00 H new ATOM 751 N HIS A 60 -7.989 -3.691 5.211 1.00 0.00 N ATOM 752 CA HIS A 60 -8.112 -4.060 6.587 1.00 0.00 C ATOM 753 C HIS A 60 -6.762 -4.279 7.180 1.00 0.00 C ATOM 754 O HIS A 60 -5.743 -4.279 6.491 1.00 0.00 O ATOM 755 CB HIS A 60 -8.996 -5.311 6.722 1.00 0.00 C ATOM 756 CG HIS A 60 -9.408 -5.610 8.133 1.00 0.00 C ATOM 757 ND1 HIS A 60 -8.872 -6.698 8.792 1.00 0.00 N ATOM 758 CD2 HIS A 60 -10.185 -4.880 8.977 1.00 0.00 C ATOM 759 CE1 HIS A 60 -9.334 -6.620 10.026 1.00 0.00 C ATOM 760 NE2 HIS A 60 -10.132 -5.532 10.192 1.00 0.00 N ATOM 0 H HIS A 60 -7.350 -4.295 4.693 1.00 0.00 H new ATOM 0 HA HIS A 60 -8.592 -3.250 7.136 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -9.890 -5.181 6.112 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.458 -6.170 6.320 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -10.730 -3.977 8.745 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -9.107 -7.331 10.806 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -10.603 -5.251 11.052 1.00 0.00 H new ATOM 768 N LYS A 61 -6.670 -4.490 8.506 1.00 0.00 N ATOM 769 CA LYS A 61 -5.444 -4.737 9.199 1.00 0.00 C ATOM 770 C LYS A 61 -5.002 -6.158 9.134 1.00 0.00 C ATOM 771 O LYS A 61 -4.780 -6.849 10.127 1.00 0.00 O ATOM 772 CB LYS A 61 -5.475 -4.218 10.646 1.00 0.00 C ATOM 773 CG LYS A 61 -6.689 -4.568 11.508 1.00 0.00 C ATOM 774 CD LYS A 61 -6.382 -4.248 12.972 1.00 0.00 C ATOM 775 CE LYS A 61 -7.564 -4.310 13.942 1.00 0.00 C ATOM 776 NZ LYS A 61 -8.479 -3.164 13.742 1.00 0.00 N ATOM 0 H LYS A 61 -7.484 -4.488 9.120 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.690 -4.161 8.663 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.586 -4.592 11.154 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.391 -3.132 10.613 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.560 -4.003 11.176 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.934 -5.625 11.399 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.617 -4.942 13.321 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.952 -3.248 13.021 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.108 -5.243 13.797 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.196 -4.311 14.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.271 -3.231 14.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.963 -2.276 13.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -8.847 -3.179 12.769 1.00 0.00 H new ATOM 790 N GLY A 62 -4.818 -6.634 7.889 1.00 0.00 N ATOM 791 CA GLY A 62 -4.234 -7.902 7.582 1.00 0.00 C ATOM 792 C GLY A 62 -4.159 -8.077 6.104 1.00 0.00 C ATOM 793 O GLY A 62 -4.271 -9.193 5.599 1.00 0.00 O ATOM 0 H GLY A 62 -5.090 -6.109 7.058 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.237 -7.968 8.017 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.828 -8.703 8.023 1.00 0.00 H new ATOM 797 N ASP A 63 -3.987 -6.971 5.357 1.00 0.00 N ATOM 798 CA ASP A 63 -3.815 -6.979 3.938 1.00 0.00 C ATOM 799 C ASP A 63 -2.381 -6.748 3.608 1.00 0.00 C ATOM 800 O ASP A 63 -1.607 -6.210 4.398 1.00 0.00 O ATOM 801 CB ASP A 63 -4.655 -5.889 3.250 1.00 0.00 C ATOM 802 CG ASP A 63 -6.125 -6.281 3.225 1.00 0.00 C ATOM 803 OD1 ASP A 63 -6.451 -7.493 3.103 1.00 0.00 O ATOM 804 OD2 ASP A 63 -7.000 -5.379 3.296 1.00 0.00 O ATOM 0 H ASP A 63 -3.967 -6.034 5.759 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.147 -7.952 3.575 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.534 -4.943 3.777 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.297 -5.735 2.232 1.00 0.00 H new ATOM 809 N ARG A 64 -1.996 -7.153 2.384 1.00 0.00 N ATOM 810 CA ARG A 64 -0.665 -7.046 1.872 1.00 0.00 C ATOM 811 C ARG A 64 -0.568 -5.870 0.962 1.00 0.00 C ATOM 812 O ARG A 64 -1.371 -5.704 0.046 1.00 0.00 O ATOM 813 CB ARG A 64 -0.320 -8.323 1.089 1.00 0.00 C ATOM 814 CG ARG A 64 1.076 -8.395 0.466 1.00 0.00 C ATOM 815 CD ARG A 64 1.249 -9.715 -0.289 1.00 0.00 C ATOM 816 NE ARG A 64 2.544 -9.702 -1.024 1.00 0.00 N ATOM 817 CZ ARG A 64 2.707 -10.294 -2.243 1.00 0.00 C ATOM 818 NH1 ARG A 64 1.663 -10.825 -2.944 1.00 0.00 N ATOM 819 NH2 ARG A 64 3.960 -10.381 -2.779 1.00 0.00 N ATOM 0 H ARG A 64 -2.645 -7.575 1.720 1.00 0.00 H new ATOM 0 HA ARG A 64 0.032 -6.919 2.700 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -0.437 -9.174 1.759 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -1.054 -8.441 0.292 1.00 0.00 H new ATOM 0 HG2 ARG A 64 1.222 -7.556 -0.215 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.835 -8.310 1.244 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.224 -10.551 0.409 1.00 0.00 H new ATOM 0 HD3 ARG A 64 0.424 -9.858 -0.987 1.00 0.00 H new ATOM 0 HE ARG A 64 3.343 -9.231 -0.599 1.00 0.00 H new ATOM 0 HH11 ARG A 64 0.719 -10.788 -2.559 1.00 0.00 H new ATOM 0 HH12 ARG A 64 1.827 -11.259 -3.852 1.00 0.00 H new ATOM 0 HH21 ARG A 64 4.760 -10.006 -2.269 1.00 0.00 H new ATOM 0 HH22 ARG A 64 4.096 -10.821 -3.689 1.00 0.00 H new ATOM 833 N VAL A 65 0.446 -5.010 1.166 1.00 0.00 N ATOM 834 CA VAL A 65 0.825 -3.965 0.267 1.00 0.00 C ATOM 835 C VAL A 65 1.870 -4.537 -0.628 1.00 0.00 C ATOM 836 O VAL A 65 2.951 -4.905 -0.175 1.00 0.00 O ATOM 837 CB VAL A 65 1.353 -2.722 0.919 1.00 0.00 C ATOM 838 CG1 VAL A 65 0.995 -1.517 0.033 1.00 0.00 C ATOM 839 CG2 VAL A 65 0.841 -2.537 2.358 1.00 0.00 C ATOM 0 H VAL A 65 1.031 -5.046 2.001 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.072 -3.640 -0.260 1.00 0.00 H new ATOM 0 HB VAL A 65 2.436 -2.810 1.008 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.372 -0.603 0.492 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.447 -1.642 -0.951 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.088 -1.451 -0.071 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.257 -1.621 2.777 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.247 -2.472 2.351 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.150 -3.387 2.966 1.00 0.00 H new ATOM 849 N LEU A 66 1.594 -4.675 -1.938 1.00 0.00 N ATOM 850 CA LEU A 66 2.540 -5.176 -2.887 1.00 0.00 C ATOM 851 C LEU A 66 3.262 -4.082 -3.594 1.00 0.00 C ATOM 852 O LEU A 66 4.446 -4.239 -3.888 1.00 0.00 O ATOM 853 CB LEU A 66 1.970 -6.220 -3.862 1.00 0.00 C ATOM 854 CG LEU A 66 0.665 -5.889 -4.606 1.00 0.00 C ATOM 855 CD1 LEU A 66 0.583 -6.674 -5.926 1.00 0.00 C ATOM 856 CD2 LEU A 66 -0.565 -6.248 -3.757 1.00 0.00 C ATOM 0 H LEU A 66 0.692 -4.432 -2.347 1.00 0.00 H new ATOM 0 HA LEU A 66 3.273 -5.720 -2.291 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.735 -6.429 -4.610 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.810 -7.143 -3.304 1.00 0.00 H new ATOM 0 HG LEU A 66 0.671 -4.817 -4.805 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.347 -6.427 -6.439 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.429 -6.409 -6.560 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.609 -7.743 -5.716 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.472 -6.003 -4.309 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.554 -7.315 -3.533 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.542 -5.681 -2.826 1.00 0.00 H new ATOM 868 N ALA A 67 2.633 -2.926 -3.874 1.00 0.00 N ATOM 869 CA ALA A 67 3.340 -1.879 -4.543 1.00 0.00 C ATOM 870 C ALA A 67 2.780 -0.525 -4.276 1.00 0.00 C ATOM 871 O ALA A 67 1.668 -0.382 -3.769 1.00 0.00 O ATOM 872 CB ALA A 67 3.346 -2.121 -6.062 1.00 0.00 C ATOM 0 H ALA A 67 1.661 -2.719 -3.644 1.00 0.00 H new ATOM 0 HA ALA A 67 4.354 -1.902 -4.145 1.00 0.00 H new ATOM 0 HB1 ALA A 67 3.888 -1.315 -6.557 1.00 0.00 H new ATOM 0 HB2 ALA A 67 3.834 -3.072 -6.277 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.320 -2.148 -6.430 1.00 0.00 H new ATOM 878 N VAL A 68 3.541 0.534 -4.605 1.00 0.00 N ATOM 879 CA VAL A 68 3.097 1.888 -4.484 1.00 0.00 C ATOM 880 C VAL A 68 3.436 2.661 -5.711 1.00 0.00 C ATOM 881 O VAL A 68 4.614 2.739 -6.056 1.00 0.00 O ATOM 882 CB VAL A 68 3.720 2.605 -3.324 1.00 0.00 C ATOM 883 CG1 VAL A 68 3.003 3.948 -3.105 1.00 0.00 C ATOM 884 CG2 VAL A 68 3.650 1.749 -2.047 1.00 0.00 C ATOM 0 H VAL A 68 4.491 0.446 -4.965 1.00 0.00 H new ATOM 0 HA VAL A 68 2.019 1.831 -4.332 1.00 0.00 H new ATOM 0 HB VAL A 68 4.771 2.788 -3.549 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.456 4.469 -2.262 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.095 4.560 -4.002 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.949 3.768 -2.896 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.108 2.291 -1.220 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.608 1.536 -1.808 1.00 0.00 H new ATOM 0 HG23 VAL A 68 4.184 0.812 -2.207 1.00 0.00 H new ATOM 894 N ASN A 69 2.475 3.226 -6.464 1.00 0.00 N ATOM 895 CA ASN A 69 2.701 3.828 -7.742 1.00 0.00 C ATOM 896 C ASN A 69 3.369 2.954 -8.747 1.00 0.00 C ATOM 897 O ASN A 69 4.071 3.408 -9.649 1.00 0.00 O ATOM 898 CB ASN A 69 3.451 5.167 -7.636 1.00 0.00 C ATOM 899 CG ASN A 69 2.686 6.139 -6.749 1.00 0.00 C ATOM 900 OD1 ASN A 69 1.469 6.266 -6.867 1.00 0.00 O ATOM 901 ND2 ASN A 69 3.400 6.876 -5.856 1.00 0.00 N ATOM 0 H ASN A 69 1.499 3.265 -6.170 1.00 0.00 H new ATOM 0 HA ASN A 69 1.692 4.006 -8.115 1.00 0.00 H new ATOM 0 HB2 ASN A 69 4.448 5.001 -7.228 1.00 0.00 H new ATOM 0 HB3 ASN A 69 3.581 5.597 -8.629 1.00 0.00 H new ATOM 0 HD21 ASN A 69 2.926 7.556 -5.262 1.00 0.00 H new ATOM 0 HD22 ASN A 69 4.409 6.748 -5.781 1.00 0.00 H new ATOM 908 N GLY A 70 3.192 1.627 -8.611 1.00 0.00 N ATOM 909 CA GLY A 70 3.872 0.637 -9.388 1.00 0.00 C ATOM 910 C GLY A 70 5.262 0.347 -8.939 1.00 0.00 C ATOM 911 O GLY A 70 6.054 -0.218 -9.692 1.00 0.00 O ATOM 0 H GLY A 70 2.547 1.227 -7.930 1.00 0.00 H new ATOM 0 HA2 GLY A 70 3.295 -0.287 -9.361 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.900 0.965 -10.427 1.00 0.00 H new ATOM 915 N VAL A 71 5.618 0.723 -7.698 1.00 0.00 N ATOM 916 CA VAL A 71 6.889 0.453 -7.099 1.00 0.00 C ATOM 917 C VAL A 71 6.711 -0.676 -6.143 1.00 0.00 C ATOM 918 O VAL A 71 6.230 -0.518 -5.022 1.00 0.00 O ATOM 919 CB VAL A 71 7.533 1.610 -6.393 1.00 0.00 C ATOM 920 CG1 VAL A 71 8.966 1.244 -5.971 1.00 0.00 C ATOM 921 CG2 VAL A 71 7.566 2.809 -7.356 1.00 0.00 C ATOM 0 H VAL A 71 4.990 1.240 -7.083 1.00 0.00 H new ATOM 0 HA VAL A 71 7.571 0.215 -7.916 1.00 0.00 H new ATOM 0 HB VAL A 71 6.963 1.860 -5.498 1.00 0.00 H new ATOM 0 HG11 VAL A 71 9.422 2.092 -5.460 1.00 0.00 H new ATOM 0 HG12 VAL A 71 8.940 0.386 -5.299 1.00 0.00 H new ATOM 0 HG13 VAL A 71 9.553 0.994 -6.855 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.031 3.661 -6.860 1.00 0.00 H new ATOM 0 HG22 VAL A 71 8.142 2.547 -8.244 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.549 3.070 -7.647 1.00 0.00 H new ATOM 931 N SER A 72 7.060 -1.887 -6.611 1.00 0.00 N ATOM 932 CA SER A 72 6.892 -3.123 -5.911 1.00 0.00 C ATOM 933 C SER A 72 7.767 -3.284 -4.716 1.00 0.00 C ATOM 934 O SER A 72 8.960 -2.988 -4.732 1.00 0.00 O ATOM 935 CB SER A 72 7.065 -4.331 -6.847 1.00 0.00 C ATOM 936 OG SER A 72 6.554 -5.527 -6.276 1.00 0.00 O ATOM 0 H SER A 72 7.484 -2.011 -7.531 1.00 0.00 H new ATOM 0 HA SER A 72 5.868 -3.086 -5.540 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.556 -4.134 -7.790 1.00 0.00 H new ATOM 0 HB3 SER A 72 8.122 -4.462 -7.077 1.00 0.00 H new ATOM 0 HG SER A 72 6.682 -6.269 -6.903 1.00 0.00 H new ATOM 942 N LEU A 73 7.197 -3.799 -3.613 1.00 0.00 N ATOM 943 CA LEU A 73 7.836 -4.064 -2.361 1.00 0.00 C ATOM 944 C LEU A 73 8.442 -5.424 -2.329 1.00 0.00 C ATOM 945 O LEU A 73 8.562 -6.056 -1.281 1.00 0.00 O ATOM 946 CB LEU A 73 6.784 -3.935 -1.246 1.00 0.00 C ATOM 947 CG LEU A 73 6.372 -2.495 -0.898 1.00 0.00 C ATOM 948 CD1 LEU A 73 4.914 -2.436 -0.409 1.00 0.00 C ATOM 949 CD2 LEU A 73 7.252 -1.908 0.218 1.00 0.00 C ATOM 0 H LEU A 73 6.209 -4.050 -3.596 1.00 0.00 H new ATOM 0 HA LEU A 73 8.643 -3.346 -2.217 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.893 -4.489 -1.543 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.171 -4.413 -0.346 1.00 0.00 H new ATOM 0 HG LEU A 73 6.492 -1.916 -1.814 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.652 -1.405 -0.171 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.252 -2.807 -1.192 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.804 -3.054 0.482 1.00 0.00 H new ATOM 0 HD21 LEU A 73 6.931 -0.890 0.437 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.157 -2.519 1.116 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.293 -1.899 -0.106 1.00 0.00 H new ATOM 961 N GLU A 74 8.896 -5.950 -3.481 1.00 0.00 N ATOM 962 CA GLU A 74 9.265 -7.313 -3.705 1.00 0.00 C ATOM 963 C GLU A 74 10.552 -7.783 -3.120 1.00 0.00 C ATOM 964 O GLU A 74 11.011 -8.904 -3.336 1.00 0.00 O ATOM 965 CB GLU A 74 9.160 -7.670 -5.197 1.00 0.00 C ATOM 966 CG GLU A 74 10.008 -6.844 -6.166 1.00 0.00 C ATOM 967 CD GLU A 74 11.452 -7.306 -6.302 1.00 0.00 C ATOM 968 OE1 GLU A 74 11.682 -8.471 -6.724 1.00 0.00 O ATOM 969 OE2 GLU A 74 12.375 -6.489 -6.039 1.00 0.00 O ATOM 0 H GLU A 74 9.013 -5.378 -4.317 1.00 0.00 H new ATOM 0 HA GLU A 74 8.527 -7.870 -3.127 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.434 -8.718 -5.315 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.116 -7.577 -5.496 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.539 -6.869 -7.150 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.003 -5.805 -5.837 1.00 0.00 H new ATOM 976 N GLY A 75 11.150 -6.949 -2.250 1.00 0.00 N ATOM 977 CA GLY A 75 12.225 -7.321 -1.383 1.00 0.00 C ATOM 978 C GLY A 75 12.357 -6.341 -0.270 1.00 0.00 C ATOM 979 O GLY A 75 13.473 -6.039 0.150 1.00 0.00 O ATOM 0 H GLY A 75 10.872 -5.973 -2.147 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.047 -8.318 -0.979 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.156 -7.368 -1.947 1.00 0.00 H new ATOM 983 N ALA A 76 11.229 -5.814 0.238 1.00 0.00 N ATOM 984 CA ALA A 76 11.202 -4.798 1.244 1.00 0.00 C ATOM 985 C ALA A 76 10.933 -5.328 2.610 1.00 0.00 C ATOM 986 O ALA A 76 10.087 -6.198 2.810 1.00 0.00 O ATOM 987 CB ALA A 76 10.152 -3.729 0.898 1.00 0.00 C ATOM 0 H ALA A 76 10.300 -6.107 -0.064 1.00 0.00 H new ATOM 0 HA ALA A 76 12.200 -4.359 1.258 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.144 -2.963 1.673 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.399 -3.273 -0.060 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.168 -4.193 0.836 1.00 0.00 H new ATOM 993 N THR A 77 11.654 -4.814 3.623 1.00 0.00 N ATOM 994 CA THR A 77 11.527 -5.108 5.016 1.00 0.00 C ATOM 995 C THR A 77 10.932 -3.902 5.660 1.00 0.00 C ATOM 996 O THR A 77 10.375 -3.054 4.965 1.00 0.00 O ATOM 997 CB THR A 77 12.836 -5.484 5.644 1.00 0.00 C ATOM 998 OG1 THR A 77 12.763 -5.811 7.023 1.00 0.00 O ATOM 999 CG2 THR A 77 13.927 -4.415 5.463 1.00 0.00 C ATOM 0 H THR A 77 12.392 -4.131 3.448 1.00 0.00 H new ATOM 0 HA THR A 77 10.886 -5.978 5.157 1.00 0.00 H new ATOM 0 HB THR A 77 13.107 -6.386 5.095 1.00 0.00 H new ATOM 0 HG1 THR A 77 13.669 -5.889 7.389 1.00 0.00 H new ATOM 0 HG21 THR A 77 14.848 -4.750 5.941 1.00 0.00 H new ATOM 0 HG22 THR A 77 14.107 -4.255 4.400 1.00 0.00 H new ATOM 0 HG23 THR A 77 13.600 -3.481 5.920 1.00 0.00 H new ATOM 1007 N HIS A 78 11.025 -3.720 6.990 1.00 0.00 N ATOM 1008 CA HIS A 78 10.529 -2.606 7.735 1.00 0.00 C ATOM 1009 C HIS A 78 11.023 -1.285 7.255 1.00 0.00 C ATOM 1010 O HIS A 78 10.221 -0.414 6.922 1.00 0.00 O ATOM 1011 CB HIS A 78 10.844 -2.747 9.234 1.00 0.00 C ATOM 1012 CG HIS A 78 10.391 -1.610 10.102 1.00 0.00 C ATOM 1013 ND1 HIS A 78 11.025 -1.281 11.272 1.00 0.00 N ATOM 1014 CD2 HIS A 78 9.362 -0.734 9.957 1.00 0.00 C ATOM 1015 CE1 HIS A 78 10.423 -0.236 11.806 1.00 0.00 C ATOM 1016 NE2 HIS A 78 9.408 0.109 11.036 1.00 0.00 N ATOM 0 H HIS A 78 11.483 -4.407 7.589 1.00 0.00 H new ATOM 0 HA HIS A 78 9.451 -2.625 7.575 1.00 0.00 H new ATOM 0 HB2 HIS A 78 10.383 -3.665 9.599 1.00 0.00 H new ATOM 0 HB3 HIS A 78 11.921 -2.863 9.351 1.00 0.00 H new ATOM 0 HD1 HIS A 78 11.831 -1.766 11.666 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.647 -0.708 9.148 1.00 0.00 H new ATOM 0 HE1 HIS A 78 10.713 0.256 12.722 1.00 0.00 H new ATOM 1025 N LYS A 79 12.350 -1.079 7.181 1.00 0.00 N ATOM 1026 CA LYS A 79 12.929 0.157 6.756 1.00 0.00 C ATOM 1027 C LYS A 79 12.621 0.478 5.334 1.00 0.00 C ATOM 1028 O LYS A 79 12.077 1.531 5.005 1.00 0.00 O ATOM 1029 CB LYS A 79 14.455 0.138 6.948 1.00 0.00 C ATOM 1030 CG LYS A 79 14.993 0.922 8.147 1.00 0.00 C ATOM 1031 CD LYS A 79 14.595 0.394 9.527 1.00 0.00 C ATOM 1032 CE LYS A 79 15.547 0.818 10.647 1.00 0.00 C ATOM 1033 NZ LYS A 79 15.708 2.288 10.703 1.00 0.00 N ATOM 0 H LYS A 79 13.039 -1.791 7.423 1.00 0.00 H new ATOM 0 HA LYS A 79 12.483 0.932 7.380 1.00 0.00 H new ATOM 0 HB2 LYS A 79 14.776 -0.899 7.045 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.919 0.532 6.044 1.00 0.00 H new ATOM 0 HG2 LYS A 79 16.081 0.939 8.086 1.00 0.00 H new ATOM 0 HG3 LYS A 79 14.653 1.954 8.063 1.00 0.00 H new ATOM 0 HD2 LYS A 79 13.591 0.744 9.764 1.00 0.00 H new ATOM 0 HD3 LYS A 79 14.553 -0.695 9.491 1.00 0.00 H new ATOM 0 HE2 LYS A 79 15.168 0.457 11.603 1.00 0.00 H new ATOM 0 HE3 LYS A 79 16.520 0.351 10.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 16.263 2.545 11.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 16.202 2.616 9.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 14.772 2.738 10.756 1.00 0.00 H new ATOM 1047 N GLN A 80 12.939 -0.464 4.429 1.00 0.00 N ATOM 1048 CA GLN A 80 12.690 -0.400 3.022 1.00 0.00 C ATOM 1049 C GLN A 80 11.264 -0.158 2.663 1.00 0.00 C ATOM 1050 O GLN A 80 10.961 0.646 1.784 1.00 0.00 O ATOM 1051 CB GLN A 80 13.211 -1.702 2.392 1.00 0.00 C ATOM 1052 CG GLN A 80 13.961 -1.564 1.065 1.00 0.00 C ATOM 1053 CD GLN A 80 13.089 -1.217 -0.134 1.00 0.00 C ATOM 1054 OE1 GLN A 80 12.376 -2.063 -0.671 1.00 0.00 O ATOM 1055 NE2 GLN A 80 13.178 0.055 -0.606 1.00 0.00 N ATOM 0 H GLN A 80 13.403 -1.331 4.700 1.00 0.00 H new ATOM 0 HA GLN A 80 13.218 0.467 2.626 1.00 0.00 H new ATOM 0 HB2 GLN A 80 13.873 -2.188 3.109 1.00 0.00 H new ATOM 0 HB3 GLN A 80 12.363 -2.370 2.237 1.00 0.00 H new ATOM 0 HG2 GLN A 80 14.725 -0.794 1.175 1.00 0.00 H new ATOM 0 HG3 GLN A 80 14.480 -2.500 0.859 1.00 0.00 H new ATOM 0 HE21 GLN A 80 13.779 0.732 -0.137 1.00 0.00 H new ATOM 0 HE22 GLN A 80 12.644 0.332 -1.429 1.00 0.00 H new ATOM 1064 N ALA A 81 10.304 -0.796 3.357 1.00 0.00 N ATOM 1065 CA ALA A 81 8.911 -0.550 3.149 1.00 0.00 C ATOM 1066 C ALA A 81 8.452 0.815 3.533 1.00 0.00 C ATOM 1067 O ALA A 81 7.686 1.424 2.789 1.00 0.00 O ATOM 1068 CB ALA A 81 8.037 -1.550 3.925 1.00 0.00 C ATOM 0 H ALA A 81 10.499 -1.494 4.075 1.00 0.00 H new ATOM 0 HA ALA A 81 8.794 -0.661 2.071 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.985 -1.332 3.742 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.260 -2.563 3.592 1.00 0.00 H new ATOM 0 HB3 ALA A 81 8.246 -1.464 4.991 1.00 0.00 H new ATOM 1074 N VAL A 82 8.916 1.368 4.667 1.00 0.00 N ATOM 1075 CA VAL A 82 8.585 2.701 5.066 1.00 0.00 C ATOM 1076 C VAL A 82 8.986 3.672 4.010 1.00 0.00 C ATOM 1077 O VAL A 82 8.147 4.427 3.521 1.00 0.00 O ATOM 1078 CB VAL A 82 9.167 3.122 6.383 1.00 0.00 C ATOM 1079 CG1 VAL A 82 9.017 4.631 6.642 1.00 0.00 C ATOM 1080 CG2 VAL A 82 8.450 2.345 7.499 1.00 0.00 C ATOM 0 H VAL A 82 9.532 0.882 5.319 1.00 0.00 H new ATOM 0 HA VAL A 82 7.503 2.700 5.200 1.00 0.00 H new ATOM 0 HB VAL A 82 10.235 2.903 6.365 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.455 4.880 7.609 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.529 5.188 5.857 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.960 4.897 6.644 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.859 2.637 8.466 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.384 2.571 7.473 1.00 0.00 H new ATOM 0 HG23 VAL A 82 8.598 1.275 7.350 1.00 0.00 H new ATOM 1090 N GLU A 83 10.249 3.646 3.547 1.00 0.00 N ATOM 1091 CA GLU A 83 10.738 4.507 2.516 1.00 0.00 C ATOM 1092 C GLU A 83 10.018 4.403 1.215 1.00 0.00 C ATOM 1093 O GLU A 83 9.781 5.409 0.547 1.00 0.00 O ATOM 1094 CB GLU A 83 12.249 4.294 2.329 1.00 0.00 C ATOM 1095 CG GLU A 83 13.009 4.633 3.613 1.00 0.00 C ATOM 1096 CD GLU A 83 14.526 4.593 3.489 1.00 0.00 C ATOM 1097 OE1 GLU A 83 15.071 4.321 2.385 1.00 0.00 O ATOM 1098 OE2 GLU A 83 15.189 4.867 4.524 1.00 0.00 O ATOM 0 H GLU A 83 10.955 3.002 3.904 1.00 0.00 H new ATOM 0 HA GLU A 83 10.540 5.523 2.858 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.443 3.259 2.049 1.00 0.00 H new ATOM 0 HB3 GLU A 83 12.610 4.918 1.512 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.712 5.629 3.942 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.704 3.936 4.393 1.00 0.00 H new ATOM 1105 N THR A 84 9.576 3.191 0.833 1.00 0.00 N ATOM 1106 CA THR A 84 8.787 2.912 -0.326 1.00 0.00 C ATOM 1107 C THR A 84 7.432 3.530 -0.293 1.00 0.00 C ATOM 1108 O THR A 84 6.919 3.965 -1.322 1.00 0.00 O ATOM 1109 CB THR A 84 8.693 1.436 -0.578 1.00 0.00 C ATOM 1110 OG1 THR A 84 9.993 0.891 -0.749 1.00 0.00 O ATOM 1111 CG2 THR A 84 7.930 1.044 -1.855 1.00 0.00 C ATOM 0 H THR A 84 9.785 2.350 1.371 1.00 0.00 H new ATOM 0 HA THR A 84 9.313 3.380 -1.158 1.00 0.00 H new ATOM 0 HB THR A 84 8.158 1.053 0.291 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.422 0.787 0.126 1.00 0.00 H new ATOM 0 HG21 THR A 84 7.915 -0.042 -1.951 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.907 1.417 -1.797 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.426 1.478 -2.723 1.00 0.00 H new ATOM 1119 N LEU A 85 6.788 3.638 0.884 1.00 0.00 N ATOM 1120 CA LEU A 85 5.513 4.264 1.053 1.00 0.00 C ATOM 1121 C LEU A 85 5.600 5.729 1.304 1.00 0.00 C ATOM 1122 O LEU A 85 4.791 6.517 0.813 1.00 0.00 O ATOM 1123 CB LEU A 85 4.818 3.625 2.267 1.00 0.00 C ATOM 1124 CG LEU A 85 4.422 2.150 2.084 1.00 0.00 C ATOM 1125 CD1 LEU A 85 4.346 1.438 3.445 1.00 0.00 C ATOM 1126 CD2 LEU A 85 3.063 1.996 1.382 1.00 0.00 C ATOM 0 H LEU A 85 7.173 3.273 1.755 1.00 0.00 H new ATOM 0 HA LEU A 85 4.962 4.119 0.124 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.480 3.704 3.129 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.922 4.201 2.499 1.00 0.00 H new ATOM 0 HG LEU A 85 5.193 1.699 1.460 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.065 0.396 3.295 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.319 1.484 3.935 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.601 1.929 4.071 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.826 0.937 1.275 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.289 2.483 1.976 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.108 2.459 0.396 1.00 0.00 H new ATOM 1138 N ARG A 86 6.593 6.152 2.105 1.00 0.00 N ATOM 1139 CA ARG A 86 6.806 7.477 2.599 1.00 0.00 C ATOM 1140 C ARG A 86 7.437 8.398 1.611 1.00 0.00 C ATOM 1141 O ARG A 86 6.915 9.485 1.373 1.00 0.00 O ATOM 1142 CB ARG A 86 7.646 7.321 3.878 1.00 0.00 C ATOM 1143 CG ARG A 86 8.049 8.582 4.644 1.00 0.00 C ATOM 1144 CD ARG A 86 9.492 8.922 4.268 1.00 0.00 C ATOM 1145 NE ARG A 86 9.995 9.936 5.236 1.00 0.00 N ATOM 1146 CZ ARG A 86 10.630 11.091 4.881 1.00 0.00 C ATOM 1147 NH1 ARG A 86 10.635 11.544 3.594 1.00 0.00 N ATOM 1148 NH2 ARG A 86 11.264 11.838 5.832 1.00 0.00 N ATOM 0 H ARG A 86 7.311 5.507 2.436 1.00 0.00 H new ATOM 0 HA ARG A 86 5.849 7.956 2.805 1.00 0.00 H new ATOM 0 HB2 ARG A 86 7.091 6.680 4.563 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.559 6.788 3.612 1.00 0.00 H new ATOM 0 HG2 ARG A 86 7.385 9.409 4.393 1.00 0.00 H new ATOM 0 HG3 ARG A 86 7.963 8.419 5.718 1.00 0.00 H new ATOM 0 HD2 ARG A 86 10.114 8.027 4.296 1.00 0.00 H new ATOM 0 HD3 ARG A 86 9.539 9.311 3.251 1.00 0.00 H new ATOM 0 HE ARG A 86 9.856 9.755 6.230 1.00 0.00 H new ATOM 0 HH11 ARG A 86 10.155 11.016 2.865 1.00 0.00 H new ATOM 0 HH12 ARG A 86 11.119 12.411 3.360 1.00 0.00 H new ATOM 0 HH21 ARG A 86 11.262 11.533 6.805 1.00 0.00 H new ATOM 0 HH22 ARG A 86 11.739 12.701 5.569 1.00 0.00 H new ATOM 1162 N ASN A 87 8.557 8.026 0.968 1.00 0.00 N ATOM 1163 CA ASN A 87 9.310 8.874 0.095 1.00 0.00 C ATOM 1164 C ASN A 87 8.765 8.874 -1.292 1.00 0.00 C ATOM 1165 O ASN A 87 9.461 8.823 -2.305 1.00 0.00 O ATOM 1166 CB ASN A 87 10.798 8.490 0.129 1.00 0.00 C ATOM 1167 CG ASN A 87 11.698 9.547 -0.492 1.00 0.00 C ATOM 1168 OD1 ASN A 87 11.369 10.730 -0.575 1.00 0.00 O ATOM 1169 ND2 ASN A 87 12.900 9.113 -0.958 1.00 0.00 N ATOM 0 H ASN A 87 8.957 7.092 1.060 1.00 0.00 H new ATOM 0 HA ASN A 87 9.217 9.898 0.458 1.00 0.00 H new ATOM 0 HB2 ASN A 87 11.101 8.324 1.163 1.00 0.00 H new ATOM 0 HB3 ASN A 87 10.936 7.547 -0.399 1.00 0.00 H new ATOM 0 HD21 ASN A 87 13.549 9.773 -1.387 1.00 0.00 H new ATOM 0 HD22 ASN A 87 13.152 8.128 -0.879 1.00 0.00 H new ATOM 1176 N THR A 88 7.425 8.944 -1.373 1.00 0.00 N ATOM 1177 CA THR A 88 6.602 9.111 -2.531 1.00 0.00 C ATOM 1178 C THR A 88 6.213 10.546 -2.627 1.00 0.00 C ATOM 1179 O THR A 88 6.498 11.341 -1.732 1.00 0.00 O ATOM 1180 CB THR A 88 5.389 8.241 -2.381 1.00 0.00 C ATOM 1181 OG1 THR A 88 4.673 8.535 -1.189 1.00 0.00 O ATOM 1182 CG2 THR A 88 5.872 6.791 -2.215 1.00 0.00 C ATOM 0 H THR A 88 6.856 8.875 -0.529 1.00 0.00 H new ATOM 0 HA THR A 88 7.133 8.825 -3.439 1.00 0.00 H new ATOM 0 HB THR A 88 4.753 8.402 -3.251 1.00 0.00 H new ATOM 0 HG1 THR A 88 4.766 7.790 -0.559 1.00 0.00 H new ATOM 0 HG21 THR A 88 5.011 6.131 -2.103 1.00 0.00 H new ATOM 0 HG22 THR A 88 6.444 6.495 -3.094 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.503 6.717 -1.330 1.00 0.00 H new ATOM 1190 N GLY A 89 5.524 10.950 -3.709 1.00 0.00 N ATOM 1191 CA GLY A 89 5.003 12.273 -3.866 1.00 0.00 C ATOM 1192 C GLY A 89 3.737 12.487 -3.110 1.00 0.00 C ATOM 1193 O GLY A 89 3.633 12.177 -1.924 1.00 0.00 O ATOM 0 H GLY A 89 5.323 10.337 -4.499 1.00 0.00 H new ATOM 0 HA2 GLY A 89 5.748 12.994 -3.530 1.00 0.00 H new ATOM 0 HA3 GLY A 89 4.826 12.466 -4.924 1.00 0.00 H new ATOM 1197 N GLN A 90 2.709 13.047 -3.773 1.00 0.00 N ATOM 1198 CA GLN A 90 1.451 13.345 -3.163 1.00 0.00 C ATOM 1199 C GLN A 90 0.469 12.257 -3.436 1.00 0.00 C ATOM 1200 O GLN A 90 -0.155 11.758 -2.500 1.00 0.00 O ATOM 1201 CB GLN A 90 0.926 14.720 -3.608 1.00 0.00 C ATOM 1202 CG GLN A 90 -0.388 15.189 -2.982 1.00 0.00 C ATOM 1203 CD GLN A 90 -0.354 15.326 -1.466 1.00 0.00 C ATOM 1204 OE1 GLN A 90 -0.191 16.404 -0.896 1.00 0.00 O ATOM 1205 NE2 GLN A 90 -0.550 14.178 -0.764 1.00 0.00 N ATOM 0 H GLN A 90 2.754 13.299 -4.760 1.00 0.00 H new ATOM 0 HA GLN A 90 1.595 13.398 -2.084 1.00 0.00 H new ATOM 0 HB2 GLN A 90 1.692 15.464 -3.389 1.00 0.00 H new ATOM 0 HB3 GLN A 90 0.800 14.702 -4.691 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -0.658 16.152 -3.415 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -1.176 14.486 -3.253 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.683 13.295 -1.257 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -0.564 14.200 0.256 1.00 0.00 H new ATOM 1214 N VAL A 91 0.308 11.833 -4.701 1.00 0.00 N ATOM 1215 CA VAL A 91 -0.493 10.701 -5.050 1.00 0.00 C ATOM 1216 C VAL A 91 0.244 9.430 -4.804 1.00 0.00 C ATOM 1217 O VAL A 91 1.377 9.216 -5.230 1.00 0.00 O ATOM 1218 CB VAL A 91 -1.043 10.675 -6.445 1.00 0.00 C ATOM 1219 CG1 VAL A 91 -1.662 9.324 -6.843 1.00 0.00 C ATOM 1220 CG2 VAL A 91 -2.112 11.778 -6.510 1.00 0.00 C ATOM 0 H VAL A 91 0.745 12.288 -5.502 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.358 10.800 -4.395 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.226 10.835 -7.148 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.038 9.383 -7.864 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -0.904 8.544 -6.780 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.484 9.087 -6.167 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.548 11.804 -7.509 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.893 11.571 -5.778 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.654 12.742 -6.289 1.00 0.00 H new ATOM 1230 N VAL A 92 -0.451 8.525 -4.091 1.00 0.00 N ATOM 1231 CA VAL A 92 -0.074 7.163 -3.873 1.00 0.00 C ATOM 1232 C VAL A 92 -1.175 6.314 -4.407 1.00 0.00 C ATOM 1233 O VAL A 92 -2.291 6.251 -3.893 1.00 0.00 O ATOM 1234 CB VAL A 92 0.182 6.918 -2.415 1.00 0.00 C ATOM 1235 CG1 VAL A 92 1.491 7.643 -2.063 1.00 0.00 C ATOM 1236 CG2 VAL A 92 -1.007 7.383 -1.559 1.00 0.00 C ATOM 0 H VAL A 92 -1.334 8.761 -3.638 1.00 0.00 H new ATOM 0 HA VAL A 92 0.855 6.918 -4.387 1.00 0.00 H new ATOM 0 HB VAL A 92 0.287 5.854 -2.204 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.718 7.492 -1.008 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.303 7.243 -2.670 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.381 8.709 -2.262 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -0.794 7.193 -0.507 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.169 8.450 -1.710 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -1.903 6.835 -1.852 1.00 0.00 H new ATOM 1246 N HIS A 93 -0.893 5.601 -5.512 1.00 0.00 N ATOM 1247 CA HIS A 93 -1.672 4.479 -5.934 1.00 0.00 C ATOM 1248 C HIS A 93 -1.180 3.312 -5.149 1.00 0.00 C ATOM 1249 O HIS A 93 -0.166 2.708 -5.497 1.00 0.00 O ATOM 1250 CB HIS A 93 -1.553 4.176 -7.437 1.00 0.00 C ATOM 1251 CG HIS A 93 -2.345 5.081 -8.334 1.00 0.00 C ATOM 1252 ND1 HIS A 93 -1.941 6.381 -8.555 1.00 0.00 N ATOM 1253 CD2 HIS A 93 -3.463 4.810 -9.060 1.00 0.00 C ATOM 1254 CE1 HIS A 93 -2.820 6.884 -9.402 1.00 0.00 C ATOM 1255 NE2 HIS A 93 -3.758 5.966 -9.753 1.00 0.00 N ATOM 0 H HIS A 93 -0.106 5.809 -6.126 1.00 0.00 H new ATOM 0 HA HIS A 93 -2.726 4.695 -5.762 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -0.503 4.236 -7.722 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -1.872 3.148 -7.611 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -4.009 3.879 -9.088 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -2.796 7.899 -9.770 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -4.531 6.105 -10.404 1.00 0.00 H new ATOM 1263 N LEU A 94 -1.838 2.963 -4.029 1.00 0.00 N ATOM 1264 CA LEU A 94 -1.490 1.808 -3.261 1.00 0.00 C ATOM 1265 C LEU A 94 -1.976 0.565 -3.924 1.00 0.00 C ATOM 1266 O LEU A 94 -3.171 0.395 -4.162 1.00 0.00 O ATOM 1267 CB LEU A 94 -2.017 1.742 -1.818 1.00 0.00 C ATOM 1268 CG LEU A 94 -1.452 2.808 -0.865 1.00 0.00 C ATOM 1269 CD1 LEU A 94 -2.461 3.045 0.271 1.00 0.00 C ATOM 1270 CD2 LEU A 94 -0.055 2.412 -0.355 1.00 0.00 C ATOM 0 H LEU A 94 -2.624 3.491 -3.650 1.00 0.00 H new ATOM 0 HA LEU A 94 -0.404 1.891 -3.209 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.103 1.836 -1.840 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -1.791 0.757 -1.410 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.315 3.749 -1.397 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.070 3.800 0.953 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.406 3.389 -0.148 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.623 2.114 0.814 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.320 3.184 0.317 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.118 1.465 0.181 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.625 2.306 -1.201 1.00 0.00 H new ATOM 1282 N LEU A 95 -1.065 -0.376 -4.228 1.00 0.00 N ATOM 1283 CA LEU A 95 -1.417 -1.662 -4.743 1.00 0.00 C ATOM 1284 C LEU A 95 -1.502 -2.624 -3.607 1.00 0.00 C ATOM 1285 O LEU A 95 -0.491 -3.051 -3.053 1.00 0.00 O ATOM 1286 CB LEU A 95 -0.366 -2.107 -5.773 1.00 0.00 C ATOM 1287 CG LEU A 95 -0.956 -2.625 -7.095 1.00 0.00 C ATOM 1288 CD1 LEU A 95 0.182 -3.199 -7.956 1.00 0.00 C ATOM 1289 CD2 LEU A 95 -2.079 -3.657 -6.897 1.00 0.00 C ATOM 0 H LEU A 95 -0.061 -0.240 -4.113 1.00 0.00 H new ATOM 0 HA LEU A 95 -2.384 -1.623 -5.244 1.00 0.00 H new ATOM 0 HB2 LEU A 95 0.294 -1.266 -5.988 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.249 -2.891 -5.331 1.00 0.00 H new ATOM 0 HG LEU A 95 -1.424 -1.783 -7.605 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -0.225 -3.570 -8.897 1.00 0.00 H new ATOM 0 HD12 LEU A 95 0.914 -2.417 -8.160 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.665 -4.017 -7.422 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -2.451 -3.981 -7.869 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -1.691 -4.517 -6.352 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -2.893 -3.205 -6.330 1.00 0.00 H new ATOM 1301 N LEU A 96 -2.741 -2.956 -3.203 1.00 0.00 N ATOM 1302 CA LEU A 96 -3.046 -3.782 -2.076 1.00 0.00 C ATOM 1303 C LEU A 96 -3.653 -5.067 -2.528 1.00 0.00 C ATOM 1304 O LEU A 96 -4.392 -5.102 -3.511 1.00 0.00 O ATOM 1305 CB LEU A 96 -4.030 -3.046 -1.152 1.00 0.00 C ATOM 1306 CG LEU A 96 -3.421 -1.833 -0.429 1.00 0.00 C ATOM 1307 CD1 LEU A 96 -4.477 -0.738 -0.206 1.00 0.00 C ATOM 1308 CD2 LEU A 96 -2.777 -2.250 0.904 1.00 0.00 C ATOM 0 H LEU A 96 -3.576 -2.630 -3.690 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.125 -3.997 -1.535 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.885 -2.714 -1.740 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -4.408 -3.747 -0.408 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.638 -1.423 -1.067 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.021 0.109 0.307 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.870 -0.410 -1.168 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.290 -1.135 0.402 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.354 -1.373 1.394 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -3.533 -2.697 1.549 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.986 -2.976 0.715 1.00 0.00 H new ATOM 1320 N GLU A 97 -3.356 -6.180 -1.835 1.00 0.00 N ATOM 1321 CA GLU A 97 -3.928 -7.469 -2.069 1.00 0.00 C ATOM 1322 C GLU A 97 -4.647 -7.924 -0.846 1.00 0.00 C ATOM 1323 O GLU A 97 -4.132 -7.878 0.271 1.00 0.00 O ATOM 1324 CB GLU A 97 -2.880 -8.543 -2.407 1.00 0.00 C ATOM 1325 CG GLU A 97 -3.400 -9.972 -2.574 1.00 0.00 C ATOM 1326 CD GLU A 97 -2.302 -11.021 -2.677 1.00 0.00 C ATOM 1327 OE1 GLU A 97 -1.084 -10.706 -2.612 1.00 0.00 O ATOM 1328 OE2 GLU A 97 -2.671 -12.219 -2.807 1.00 0.00 O ATOM 0 H GLU A 97 -2.681 -6.180 -1.071 1.00 0.00 H new ATOM 0 HA GLU A 97 -4.596 -7.355 -2.923 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -2.378 -8.252 -3.330 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -2.126 -8.544 -1.620 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -4.043 -10.215 -1.728 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -4.020 -10.020 -3.469 1.00 0.00 H new ATOM 1335 N LYS A 98 -5.875 -8.432 -1.047 1.00 0.00 N ATOM 1336 CA LYS A 98 -6.750 -8.900 -0.016 1.00 0.00 C ATOM 1337 C LYS A 98 -6.263 -10.111 0.701 1.00 0.00 C ATOM 1338 O LYS A 98 -6.056 -11.174 0.118 1.00 0.00 O ATOM 1339 CB LYS A 98 -8.150 -9.157 -0.599 1.00 0.00 C ATOM 1340 CG LYS A 98 -9.289 -9.191 0.422 1.00 0.00 C ATOM 1341 CD LYS A 98 -10.083 -7.886 0.520 1.00 0.00 C ATOM 1342 CE LYS A 98 -9.344 -6.662 1.061 1.00 0.00 C ATOM 1343 NZ LYS A 98 -9.265 -6.631 2.539 1.00 0.00 N ATOM 0 H LYS A 98 -6.280 -8.521 -1.979 1.00 0.00 H new ATOM 0 HA LYS A 98 -6.784 -8.109 0.733 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -8.367 -8.382 -1.334 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -8.134 -10.107 -1.132 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -9.972 -10.000 0.161 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -8.876 -9.426 1.403 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -10.459 -7.643 -0.474 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -10.951 -8.065 1.154 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -8.335 -6.645 0.650 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -9.846 -5.760 0.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -8.575 -5.911 2.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -10.199 -6.398 2.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -8.965 -7.563 2.890 1.00 0.00 H new ATOM 1357 N GLY A 99 -6.061 -9.985 2.025 1.00 0.00 N ATOM 1358 CA GLY A 99 -5.607 -11.018 2.902 1.00 0.00 C ATOM 1359 C GLY A 99 -6.748 -11.676 3.599 1.00 0.00 C ATOM 1360 O GLY A 99 -6.987 -11.472 4.788 1.00 0.00 O ATOM 0 H GLY A 99 -6.226 -9.104 2.513 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -5.048 -11.761 2.333 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -4.922 -10.598 3.638 1.00 0.00 H new ATOM 1364 N GLN A 100 -7.511 -12.502 2.861 1.00 0.00 N ATOM 1365 CA GLN A 100 -8.705 -13.119 3.349 1.00 0.00 C ATOM 1366 C GLN A 100 -8.731 -14.555 2.951 1.00 0.00 C ATOM 1367 O GLN A 100 -7.985 -14.973 2.066 1.00 0.00 O ATOM 1368 CB GLN A 100 -9.907 -12.293 2.864 1.00 0.00 C ATOM 1369 CG GLN A 100 -11.142 -12.328 3.768 1.00 0.00 C ATOM 1370 CD GLN A 100 -11.981 -11.064 3.656 1.00 0.00 C ATOM 1371 OE1 GLN A 100 -12.097 -10.282 4.598 1.00 0.00 O ATOM 1372 NE2 GLN A 100 -12.583 -10.821 2.461 1.00 0.00 N ATOM 0 H GLN A 100 -7.291 -12.748 1.896 1.00 0.00 H new ATOM 0 HA GLN A 100 -8.747 -13.125 4.438 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -9.591 -11.256 2.751 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -10.193 -12.648 1.874 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -11.755 -13.191 3.508 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -10.827 -12.461 4.803 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -12.475 -11.482 1.692 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -13.143 -9.978 2.334 1.00 0.00 H new ATOM 1381 N VAL A 101 -9.535 -15.394 3.629 1.00 0.00 N ATOM 1382 CA VAL A 101 -9.548 -16.815 3.469 1.00 0.00 C ATOM 1383 C VAL A 101 -10.531 -17.206 2.421 1.00 0.00 C ATOM 1384 O VAL A 101 -11.596 -16.591 2.402 1.00 0.00 O ATOM 1385 CB VAL A 101 -9.841 -17.494 4.773 1.00 0.00 C ATOM 1386 CG1 VAL A 101 -9.775 -19.027 4.655 1.00 0.00 C ATOM 1387 CG2 VAL A 101 -8.818 -17.038 5.826 1.00 0.00 C ATOM 0 H VAL A 101 -10.208 -15.065 4.322 1.00 0.00 H new ATOM 0 HA VAL A 101 -8.559 -17.140 3.144 1.00 0.00 H new ATOM 0 HB VAL A 101 -10.854 -17.218 5.066 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -9.994 -19.476 5.624 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -10.508 -19.367 3.923 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -8.777 -19.325 4.334 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -9.029 -17.530 6.775 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -7.813 -17.302 5.496 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -8.885 -15.958 5.955 1.00 0.00 H new ATOM 1397 N PRO A 102 -10.317 -18.139 1.540 1.00 0.00 N ATOM 1398 CA PRO A 102 -11.289 -18.526 0.560 1.00 0.00 C ATOM 1399 C PRO A 102 -12.562 -19.111 1.069 1.00 0.00 C ATOM 1400 O PRO A 102 -13.624 -18.879 0.431 1.00 0.00 O ATOM 1401 CB PRO A 102 -10.582 -19.577 -0.291 1.00 0.00 C ATOM 1402 CG PRO A 102 -9.105 -19.157 -0.239 1.00 0.00 C ATOM 1403 CD PRO A 102 -8.988 -18.620 1.197 1.00 0.00 C ATOM 1404 OXT PRO A 102 -12.565 -19.882 2.065 1.00 0.00 O ATOM 0 HA PRO A 102 -11.609 -17.623 0.040 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -10.727 -20.580 0.110 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -10.960 -19.585 -1.313 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -8.433 -19.997 -0.419 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -8.869 -18.395 -0.982 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -8.664 -19.402 1.884 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -8.252 -17.818 1.258 1.00 0.00 H new TER 1412 PRO A 102 ATOM 1413 N TYR B 205 10.657 -1.726 17.593 1.00 0.00 N ATOM 1414 CA TYR B 205 11.112 -1.916 16.251 1.00 0.00 C ATOM 1415 C TYR B 205 9.993 -1.678 15.297 1.00 0.00 C ATOM 1416 O TYR B 205 10.043 -0.760 14.480 1.00 0.00 O ATOM 1417 CB TYR B 205 11.743 -3.310 16.092 1.00 0.00 C ATOM 1418 CG TYR B 205 12.387 -3.525 14.765 1.00 0.00 C ATOM 1419 CD1 TYR B 205 13.432 -2.729 14.359 1.00 0.00 C ATOM 1420 CD2 TYR B 205 11.976 -4.549 13.945 1.00 0.00 C ATOM 1421 CE1 TYR B 205 14.054 -2.943 13.152 1.00 0.00 C ATOM 1422 CE2 TYR B 205 12.609 -4.789 12.747 1.00 0.00 C ATOM 1423 CZ TYR B 205 13.649 -3.983 12.349 1.00 0.00 C ATOM 1424 OH TYR B 205 14.315 -4.239 11.132 1.00 0.00 O ATOM 0 HA TYR B 205 11.892 -1.190 16.020 1.00 0.00 H new ATOM 0 HB2 TYR B 205 12.487 -3.454 16.875 1.00 0.00 H new ATOM 0 HB3 TYR B 205 10.973 -4.067 16.240 1.00 0.00 H new ATOM 0 HD1 TYR B 205 13.769 -1.925 14.997 1.00 0.00 H new ATOM 0 HD2 TYR B 205 11.147 -5.172 14.245 1.00 0.00 H new ATOM 0 HE1 TYR B 205 14.859 -2.296 12.835 1.00 0.00 H new ATOM 0 HE2 TYR B 205 12.289 -5.609 12.121 1.00 0.00 H new ATOM 0 HH TYR B 205 13.902 -5.010 10.689 1.00 0.00 H new ATOM 1434 N LEU B 206 8.938 -2.510 15.360 1.00 0.00 N ATOM 1435 CA LEU B 206 7.881 -2.565 14.398 1.00 0.00 C ATOM 1436 C LEU B 206 6.911 -1.437 14.485 1.00 0.00 C ATOM 1437 O LEU B 206 6.941 -0.642 15.423 1.00 0.00 O ATOM 1438 CB LEU B 206 7.114 -3.882 14.601 1.00 0.00 C ATOM 1439 CG LEU B 206 6.350 -4.497 13.417 1.00 0.00 C ATOM 1440 CD1 LEU B 206 7.319 -4.915 12.298 1.00 0.00 C ATOM 1441 CD2 LEU B 206 5.621 -5.732 13.971 1.00 0.00 C ATOM 0 H LEU B 206 8.816 -3.178 16.121 1.00 0.00 H new ATOM 0 HA LEU B 206 8.348 -2.495 13.416 1.00 0.00 H new ATOM 0 HB2 LEU B 206 7.828 -4.627 14.952 1.00 0.00 H new ATOM 0 HB3 LEU B 206 6.397 -3.723 15.407 1.00 0.00 H new ATOM 0 HG LEU B 206 5.654 -3.777 12.987 1.00 0.00 H new ATOM 0 HD11 LEU B 206 6.755 -5.347 11.471 1.00 0.00 H new ATOM 0 HD12 LEU B 206 7.867 -4.041 11.946 1.00 0.00 H new ATOM 0 HD13 LEU B 206 8.022 -5.653 12.683 1.00 0.00 H new ATOM 0 HD21 LEU B 206 5.058 -6.212 13.170 1.00 0.00 H new ATOM 0 HD22 LEU B 206 6.350 -6.435 14.374 1.00 0.00 H new ATOM 0 HD23 LEU B 206 4.937 -5.426 14.762 1.00 0.00 H new ATOM 1453 N VAL B 207 5.993 -1.369 13.504 1.00 0.00 N ATOM 1454 CA VAL B 207 4.852 -0.511 13.424 1.00 0.00 C ATOM 1455 C VAL B 207 5.122 0.954 13.389 1.00 0.00 C ATOM 1456 O VAL B 207 5.347 1.647 14.379 1.00 0.00 O ATOM 1457 CB VAL B 207 3.625 -0.907 14.190 1.00 0.00 C ATOM 1458 CG1 VAL B 207 3.038 -2.167 13.531 1.00 0.00 C ATOM 1459 CG2 VAL B 207 3.877 -1.132 15.690 1.00 0.00 C ATOM 0 H VAL B 207 6.059 -1.976 12.687 1.00 0.00 H new ATOM 0 HA VAL B 207 4.549 -0.735 12.401 1.00 0.00 H new ATOM 0 HB VAL B 207 2.917 -0.080 14.147 1.00 0.00 H new ATOM 0 HG11 VAL B 207 2.143 -2.476 14.070 1.00 0.00 H new ATOM 0 HG12 VAL B 207 2.780 -1.949 12.495 1.00 0.00 H new ATOM 0 HG13 VAL B 207 3.775 -2.970 13.560 1.00 0.00 H new ATOM 0 HG21 VAL B 207 2.944 -1.415 16.177 1.00 0.00 H new ATOM 0 HG22 VAL B 207 4.611 -1.927 15.820 1.00 0.00 H new ATOM 0 HG23 VAL B 207 4.255 -0.213 16.137 1.00 0.00 H new ATOM 1469 N THR B 208 5.090 1.481 12.152 1.00 0.00 N ATOM 1470 CA THR B 208 5.453 2.826 11.828 1.00 0.00 C ATOM 1471 C THR B 208 4.280 3.287 11.033 1.00 0.00 C ATOM 1472 O THR B 208 3.953 2.654 10.030 1.00 0.00 O ATOM 1473 CB THR B 208 6.674 2.927 10.964 1.00 0.00 C ATOM 1474 OG1 THR B 208 7.798 2.343 11.606 1.00 0.00 O ATOM 1475 CG2 THR B 208 7.043 4.388 10.657 1.00 0.00 C ATOM 0 H THR B 208 4.796 0.942 11.337 1.00 0.00 H new ATOM 0 HA THR B 208 5.683 3.399 12.726 1.00 0.00 H new ATOM 0 HB THR B 208 6.432 2.402 10.040 1.00 0.00 H new ATOM 0 HG1 THR B 208 8.092 1.557 11.100 1.00 0.00 H new ATOM 0 HG21 THR B 208 7.933 4.414 10.029 1.00 0.00 H new ATOM 0 HG22 THR B 208 6.216 4.870 10.135 1.00 0.00 H new ATOM 0 HG23 THR B 208 7.241 4.917 11.589 1.00 0.00 H new ATOM 1483 N SER B 209 3.603 4.357 11.486 1.00 0.00 N ATOM 1484 CA SER B 209 2.563 5.016 10.759 1.00 0.00 C ATOM 1485 C SER B 209 3.146 5.762 9.609 1.00 0.00 C ATOM 1486 O SER B 209 4.194 6.396 9.717 1.00 0.00 O ATOM 1487 CB SER B 209 1.674 5.943 11.604 1.00 0.00 C ATOM 1488 OG SER B 209 2.412 6.937 12.299 1.00 0.00 O ATOM 0 H SER B 209 3.788 4.780 12.396 1.00 0.00 H new ATOM 0 HA SER B 209 1.899 4.226 10.408 1.00 0.00 H new ATOM 0 HB2 SER B 209 0.944 6.427 10.956 1.00 0.00 H new ATOM 0 HB3 SER B 209 1.114 5.345 12.323 1.00 0.00 H new ATOM 0 HG SER B 209 1.798 7.498 12.817 1.00 0.00 H new ATOM 1494 N VAL B 210 2.520 5.665 8.423 1.00 0.00 N ATOM 1495 CA VAL B 210 3.114 6.080 7.189 1.00 0.00 C ATOM 1496 C VAL B 210 1.928 6.248 6.251 1.00 0.00 C ATOM 1497 O VAL B 210 0.799 5.797 6.580 1.00 0.00 O ATOM 1498 CB VAL B 210 4.151 5.117 6.691 1.00 0.00 C ATOM 1499 CG1 VAL B 210 3.567 3.720 6.423 1.00 0.00 C ATOM 1500 CG2 VAL B 210 4.854 5.677 5.443 1.00 0.00 C ATOM 1501 OXT VAL B 210 2.103 6.946 5.215 1.00 0.00 O ATOM 0 H VAL B 210 1.578 5.289 8.318 1.00 0.00 H new ATOM 0 HA VAL B 210 3.681 7.006 7.286 1.00 0.00 H new ATOM 0 HB VAL B 210 4.893 4.999 7.481 1.00 0.00 H new ATOM 0 HG11 VAL B 210 4.356 3.059 6.064 1.00 0.00 H new ATOM 0 HG12 VAL B 210 3.148 3.318 7.345 1.00 0.00 H new ATOM 0 HG13 VAL B 210 2.783 3.792 5.669 1.00 0.00 H new ATOM 0 HG21 VAL B 210 5.603 4.964 5.097 1.00 0.00 H new ATOM 0 HG22 VAL B 210 4.119 5.843 4.655 1.00 0.00 H new ATOM 0 HG23 VAL B 210 5.339 6.621 5.691 1.00 0.00 H new TER 1511 VAL B 210