USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 605 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 13 HIS : no HE2:sc= -0.0777 K(o=-4.3,f=-3.4) USER MOD Set 1.2: A 15 ASN : amide:sc= -2.28 K(o=-4.3,f=-2.7) USER MOD Set 1.3: A 40 THR OG1 : rot 180:sc= -1.93 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.0616 X(o=-0.062,f=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0534 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -9:sc= 0.836! USER MOD Single : A 45 MET CE :methyl -167:sc= 0 (180deg=-0.0167) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -153:sc= -0.0568 (180deg=-0.432) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -13.292 5.048 -11.299 1.00 0.00 N ATOM 2 CA ALA A 1 -14.032 4.109 -10.416 1.00 0.00 C ATOM 3 C ALA A 1 -13.110 3.509 -9.362 1.00 0.00 C ATOM 4 O ALA A 1 -13.048 3.989 -8.230 1.00 0.00 O ATOM 5 CB ALA A 1 -14.679 3.007 -11.241 1.00 0.00 C ATOM 0 H1 ALA A 1 -13.942 5.443 -12.008 1.00 0.00 H new ATOM 0 H2 ALA A 1 -12.892 5.820 -10.728 1.00 0.00 H new ATOM 0 H3 ALA A 1 -12.523 4.539 -11.780 1.00 0.00 H new ATOM 0 HA ALA A 1 -14.813 4.670 -9.903 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -15.217 2.327 -10.581 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -15.375 3.448 -11.954 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -13.908 2.456 -11.780 1.00 0.00 H new ATOM 13 N LEU A 2 -12.396 2.454 -9.740 1.00 0.00 N ATOM 14 CA LEU A 2 -11.478 1.784 -8.828 1.00 0.00 C ATOM 15 C LEU A 2 -10.131 2.500 -8.782 1.00 0.00 C ATOM 16 O LEU A 2 -9.871 3.408 -9.571 1.00 0.00 O ATOM 17 CB LEU A 2 -11.281 0.327 -9.252 1.00 0.00 C ATOM 18 CG LEU A 2 -12.549 -0.528 -9.228 1.00 0.00 C ATOM 19 CD1 LEU A 2 -13.042 -0.792 -10.643 1.00 0.00 C ATOM 20 CD2 LEU A 2 -12.294 -1.838 -8.498 1.00 0.00 C ATOM 0 H LEU A 2 -12.436 2.044 -10.673 1.00 0.00 H new ATOM 0 HA LEU A 2 -11.914 1.811 -7.829 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -10.868 0.310 -10.261 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -10.540 -0.130 -8.596 1.00 0.00 H new ATOM 0 HG LEU A 2 -13.324 0.020 -8.692 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -13.945 -1.402 -10.606 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -13.264 0.156 -11.134 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -12.271 -1.319 -11.205 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -13.207 -2.434 -8.490 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -11.504 -2.390 -9.007 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -11.988 -1.630 -7.473 1.00 0.00 H new ATOM 32 N VAL A 3 -9.280 2.082 -7.851 1.00 0.00 N ATOM 33 CA VAL A 3 -7.960 2.679 -7.694 1.00 0.00 C ATOM 34 C VAL A 3 -6.894 1.597 -7.526 1.00 0.00 C ATOM 35 O VAL A 3 -7.163 0.526 -6.991 1.00 0.00 O ATOM 36 CB VAL A 3 -7.926 3.645 -6.479 1.00 0.00 C ATOM 37 CG1 VAL A 3 -6.499 3.924 -6.014 1.00 0.00 C ATOM 38 CG2 VAL A 3 -8.640 4.944 -6.819 1.00 0.00 C ATOM 0 H VAL A 3 -9.482 1.330 -7.192 1.00 0.00 H new ATOM 0 HA VAL A 3 -7.745 3.250 -8.598 1.00 0.00 H new ATOM 0 HB VAL A 3 -8.447 3.158 -5.655 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.520 4.604 -5.162 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.023 2.989 -5.720 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.934 4.379 -6.827 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -8.609 5.612 -5.958 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -8.146 5.420 -7.666 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -9.678 4.732 -7.076 1.00 0.00 H new ATOM 48 N GLU A 4 -5.683 1.905 -7.975 1.00 0.00 N ATOM 49 CA GLU A 4 -4.564 0.979 -7.867 1.00 0.00 C ATOM 50 C GLU A 4 -3.449 1.595 -7.028 1.00 0.00 C ATOM 51 O GLU A 4 -2.721 2.470 -7.495 1.00 0.00 O ATOM 52 CB GLU A 4 -4.036 0.619 -9.257 1.00 0.00 C ATOM 53 CG GLU A 4 -5.129 0.236 -10.242 1.00 0.00 C ATOM 54 CD GLU A 4 -5.090 1.070 -11.507 1.00 0.00 C ATOM 55 OE1 GLU A 4 -4.069 1.013 -12.224 1.00 0.00 O ATOM 56 OE2 GLU A 4 -6.080 1.782 -11.780 1.00 0.00 O ATOM 0 H GLU A 4 -5.451 2.793 -8.419 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.912 0.069 -7.378 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.479 1.467 -9.656 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.333 -0.209 -9.166 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.026 -0.817 -10.502 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.102 0.353 -9.764 1.00 0.00 H new ATOM 63 N LEU A 5 -3.327 1.141 -5.784 1.00 0.00 N ATOM 64 CA LEU A 5 -2.306 1.662 -4.883 1.00 0.00 C ATOM 65 C LEU A 5 -0.912 1.230 -5.319 1.00 0.00 C ATOM 66 O LEU A 5 -0.753 0.276 -6.079 1.00 0.00 O ATOM 67 CB LEU A 5 -2.563 1.200 -3.448 1.00 0.00 C ATOM 68 CG LEU A 5 -2.419 2.291 -2.387 1.00 0.00 C ATOM 69 CD1 LEU A 5 -3.785 2.729 -1.880 1.00 0.00 C ATOM 70 CD2 LEU A 5 -1.551 1.799 -1.238 1.00 0.00 C ATOM 0 H LEU A 5 -3.920 0.417 -5.379 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.360 2.750 -4.922 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -3.570 0.787 -3.389 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.872 0.391 -3.213 1.00 0.00 H new ATOM 0 HG LEU A 5 -1.933 3.154 -2.841 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -3.661 3.506 -1.126 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.373 3.120 -2.710 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -4.301 1.875 -1.440 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -1.457 2.586 -0.490 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -2.011 0.921 -0.785 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -0.562 1.537 -1.615 1.00 0.00 H new ATOM 82 N LYS A 6 0.095 1.943 -4.827 1.00 0.00 N ATOM 83 CA LYS A 6 1.478 1.640 -5.160 1.00 0.00 C ATOM 84 C LYS A 6 2.417 2.085 -4.046 1.00 0.00 C ATOM 85 O LYS A 6 2.069 2.930 -3.222 1.00 0.00 O ATOM 86 CB LYS A 6 1.866 2.321 -6.473 1.00 0.00 C ATOM 87 CG LYS A 6 1.231 1.685 -7.699 1.00 0.00 C ATOM 88 CD LYS A 6 -0.067 2.379 -8.075 1.00 0.00 C ATOM 89 CE LYS A 6 0.109 3.264 -9.300 1.00 0.00 C ATOM 90 NZ LYS A 6 -0.115 2.511 -10.565 1.00 0.00 N ATOM 0 H LYS A 6 -0.023 2.735 -4.196 1.00 0.00 H new ATOM 0 HA LYS A 6 1.570 0.560 -5.276 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.577 3.371 -6.427 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.950 2.294 -6.580 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.927 1.733 -8.537 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.038 0.630 -7.505 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.836 1.632 -8.272 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -0.415 2.982 -7.236 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.588 4.100 -9.247 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.114 3.686 -9.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.014 3.149 -11.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.567 1.728 -10.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -1.082 2.129 -10.575 1.00 0.00 H new ATOM 104 N VAL A 7 3.610 1.507 -4.033 1.00 0.00 N ATOM 105 CA VAL A 7 4.614 1.834 -3.029 1.00 0.00 C ATOM 106 C VAL A 7 4.800 3.348 -2.918 1.00 0.00 C ATOM 107 O VAL A 7 4.792 4.057 -3.924 1.00 0.00 O ATOM 108 CB VAL A 7 5.959 1.160 -3.371 1.00 0.00 C ATOM 109 CG1 VAL A 7 7.037 1.535 -2.364 1.00 0.00 C ATOM 110 CG2 VAL A 7 5.788 -0.351 -3.438 1.00 0.00 C ATOM 0 H VAL A 7 3.908 0.805 -4.711 1.00 0.00 H new ATOM 0 HA VAL A 7 4.265 1.457 -2.068 1.00 0.00 H new ATOM 0 HB VAL A 7 6.280 1.520 -4.348 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.972 1.044 -2.633 1.00 0.00 H new ATOM 0 HG12 VAL A 7 7.180 2.616 -2.369 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.732 1.214 -1.368 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.744 -0.815 -3.680 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.439 -0.721 -2.474 1.00 0.00 H new ATOM 0 HG23 VAL A 7 5.058 -0.601 -4.208 1.00 0.00 H new ATOM 120 N PRO A 8 4.962 3.864 -1.685 1.00 0.00 N ATOM 121 CA PRO A 8 5.138 5.300 -1.447 1.00 0.00 C ATOM 122 C PRO A 8 6.515 5.806 -1.849 1.00 0.00 C ATOM 123 O PRO A 8 7.284 5.107 -2.511 1.00 0.00 O ATOM 124 CB PRO A 8 4.958 5.435 0.064 1.00 0.00 C ATOM 125 CG PRO A 8 5.369 4.109 0.612 1.00 0.00 C ATOM 126 CD PRO A 8 4.975 3.092 -0.429 1.00 0.00 C ATOM 0 HA PRO A 8 4.436 5.887 -2.039 1.00 0.00 H new ATOM 0 HB2 PRO A 8 5.575 6.239 0.466 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.924 5.667 0.321 1.00 0.00 H new ATOM 0 HG2 PRO A 8 6.442 4.080 0.800 1.00 0.00 H new ATOM 0 HG3 PRO A 8 4.873 3.908 1.562 1.00 0.00 H new ATOM 0 HD2 PRO A 8 5.687 2.268 -0.473 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.998 2.658 -0.215 1.00 0.00 H new ATOM 134 N ASP A 9 6.814 7.030 -1.434 1.00 0.00 N ATOM 135 CA ASP A 9 8.093 7.659 -1.732 1.00 0.00 C ATOM 136 C ASP A 9 9.114 7.349 -0.643 1.00 0.00 C ATOM 137 O ASP A 9 9.274 8.114 0.308 1.00 0.00 O ATOM 138 CB ASP A 9 7.904 9.169 -1.852 1.00 0.00 C ATOM 139 CG ASP A 9 7.895 9.639 -3.294 1.00 0.00 C ATOM 140 OD1 ASP A 9 8.960 9.580 -3.944 1.00 0.00 O ATOM 141 OD2 ASP A 9 6.824 10.068 -3.772 1.00 0.00 O ATOM 0 H ASP A 9 6.181 7.611 -0.885 1.00 0.00 H new ATOM 0 HA ASP A 9 8.466 7.262 -2.676 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.967 9.454 -1.374 1.00 0.00 H new ATOM 0 HB3 ASP A 9 8.704 9.676 -1.313 1.00 0.00 H new ATOM 146 N ILE A 10 9.802 6.223 -0.787 1.00 0.00 N ATOM 147 CA ILE A 10 10.809 5.814 0.189 1.00 0.00 C ATOM 148 C ILE A 10 12.215 6.126 -0.312 1.00 0.00 C ATOM 149 O ILE A 10 13.092 5.262 -0.311 1.00 0.00 O ATOM 150 CB ILE A 10 10.718 4.306 0.520 1.00 0.00 C ATOM 151 CG1 ILE A 10 10.277 3.506 -0.709 1.00 0.00 C ATOM 152 CG2 ILE A 10 9.762 4.072 1.682 1.00 0.00 C ATOM 153 CD1 ILE A 10 11.213 3.646 -1.889 1.00 0.00 C ATOM 0 H ILE A 10 9.683 5.577 -1.567 1.00 0.00 H new ATOM 0 HA ILE A 10 10.607 6.383 1.097 1.00 0.00 H new ATOM 0 HB ILE A 10 11.709 3.960 0.813 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.201 2.453 -0.439 1.00 0.00 H new ATOM 0 HG13 ILE A 10 9.280 3.832 -1.006 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.710 3.006 1.901 1.00 0.00 H new ATOM 0 HG22 ILE A 10 10.121 4.606 2.562 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.770 4.436 1.416 1.00 0.00 H new ATOM 0 HD11 ILE A 10 10.838 3.053 -2.723 1.00 0.00 H new ATOM 0 HD12 ILE A 10 11.270 4.693 -2.186 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.206 3.293 -1.610 1.00 0.00 H new ATOM 165 N GLY A 11 12.423 7.369 -0.736 1.00 0.00 N ATOM 166 CA GLY A 11 13.725 7.775 -1.232 1.00 0.00 C ATOM 167 C GLY A 11 13.700 8.129 -2.705 1.00 0.00 C ATOM 168 O GLY A 11 13.643 9.304 -3.068 1.00 0.00 O ATOM 0 H GLY A 11 11.713 8.102 -0.745 1.00 0.00 H new ATOM 0 HA2 GLY A 11 14.076 8.635 -0.661 1.00 0.00 H new ATOM 0 HA3 GLY A 11 14.440 6.969 -1.067 1.00 0.00 H new ATOM 172 N GLY A 12 13.739 7.110 -3.557 1.00 0.00 N ATOM 173 CA GLY A 12 13.719 7.338 -4.988 1.00 0.00 C ATOM 174 C GLY A 12 14.358 6.205 -5.766 1.00 0.00 C ATOM 175 O GLY A 12 15.099 6.438 -6.722 1.00 0.00 O ATOM 0 H GLY A 12 13.784 6.129 -3.280 1.00 0.00 H new ATOM 0 HA2 GLY A 12 12.688 7.465 -5.318 1.00 0.00 H new ATOM 0 HA3 GLY A 12 14.242 8.268 -5.212 1.00 0.00 H new ATOM 179 N HIS A 13 14.073 4.974 -5.355 1.00 0.00 N ATOM 180 CA HIS A 13 14.624 3.799 -6.020 1.00 0.00 C ATOM 181 C HIS A 13 13.654 2.626 -5.938 1.00 0.00 C ATOM 182 O HIS A 13 12.736 2.625 -5.118 1.00 0.00 O ATOM 183 CB HIS A 13 15.967 3.411 -5.394 1.00 0.00 C ATOM 184 CG HIS A 13 16.036 3.655 -3.918 1.00 0.00 C ATOM 185 ND1 HIS A 13 15.800 2.672 -2.980 1.00 0.00 N ATOM 186 CD2 HIS A 13 16.317 4.780 -3.218 1.00 0.00 C ATOM 187 CE1 HIS A 13 15.933 3.181 -1.767 1.00 0.00 C ATOM 188 NE2 HIS A 13 16.247 4.457 -1.885 1.00 0.00 N ATOM 0 H HIS A 13 13.464 4.764 -4.564 1.00 0.00 H new ATOM 0 HA HIS A 13 14.781 4.047 -7.070 1.00 0.00 H new ATOM 0 HB2 HIS A 13 16.157 2.355 -5.588 1.00 0.00 H new ATOM 0 HB3 HIS A 13 16.762 3.973 -5.884 1.00 0.00 H new ATOM 0 HD1 HIS A 13 15.560 1.703 -3.189 1.00 0.00 H new ATOM 0 HD2 HIS A 13 16.552 5.750 -3.631 1.00 0.00 H new ATOM 0 HE1 HIS A 13 15.806 2.644 -0.838 1.00 0.00 H new ATOM 197 N GLU A 14 13.860 1.630 -6.794 1.00 0.00 N ATOM 198 CA GLU A 14 12.998 0.455 -6.814 1.00 0.00 C ATOM 199 C GLU A 14 13.686 -0.739 -6.162 1.00 0.00 C ATOM 200 O GLU A 14 14.336 -1.543 -6.831 1.00 0.00 O ATOM 201 CB GLU A 14 12.597 0.111 -8.250 1.00 0.00 C ATOM 202 CG GLU A 14 11.844 1.227 -8.954 1.00 0.00 C ATOM 203 CD GLU A 14 12.178 1.315 -10.430 1.00 0.00 C ATOM 204 OE1 GLU A 14 13.357 1.106 -10.786 1.00 0.00 O ATOM 205 OE2 GLU A 14 11.260 1.592 -11.231 1.00 0.00 O ATOM 0 H GLU A 14 14.614 1.613 -7.481 1.00 0.00 H new ATOM 0 HA GLU A 14 12.100 0.687 -6.242 1.00 0.00 H new ATOM 0 HB2 GLU A 14 13.494 -0.128 -8.822 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.977 -0.785 -8.241 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.772 1.067 -8.837 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.079 2.177 -8.475 1.00 0.00 H new ATOM 212 N ASN A 15 13.536 -0.839 -4.846 1.00 0.00 N ATOM 213 CA ASN A 15 14.131 -1.920 -4.064 1.00 0.00 C ATOM 214 C ASN A 15 14.148 -1.531 -2.594 1.00 0.00 C ATOM 215 O ASN A 15 15.184 -1.139 -2.056 1.00 0.00 O ATOM 216 CB ASN A 15 15.556 -2.223 -4.539 1.00 0.00 C ATOM 217 CG ASN A 15 16.358 -0.963 -4.799 1.00 0.00 C ATOM 218 OD1 ASN A 15 16.741 -0.253 -3.869 1.00 0.00 O ATOM 219 ND2 ASN A 15 16.616 -0.677 -6.070 1.00 0.00 N ATOM 0 H ASN A 15 12.999 -0.174 -4.290 1.00 0.00 H new ATOM 0 HA ASN A 15 13.530 -2.819 -4.201 1.00 0.00 H new ATOM 0 HB2 ASN A 15 16.066 -2.827 -3.788 1.00 0.00 H new ATOM 0 HB3 ASN A 15 15.513 -2.818 -5.451 1.00 0.00 H new ATOM 0 HD21 ASN A 15 17.151 0.159 -6.306 1.00 0.00 H new ATOM 0 HD22 ASN A 15 16.279 -1.293 -6.810 1.00 0.00 H new ATOM 226 N VAL A 16 12.988 -1.615 -1.952 1.00 0.00 N ATOM 227 CA VAL A 16 12.872 -1.245 -0.551 1.00 0.00 C ATOM 228 C VAL A 16 11.991 -2.222 0.214 1.00 0.00 C ATOM 229 O VAL A 16 10.906 -2.583 -0.239 1.00 0.00 O ATOM 230 CB VAL A 16 12.287 0.170 -0.416 1.00 0.00 C ATOM 231 CG1 VAL A 16 13.179 1.183 -1.119 1.00 0.00 C ATOM 232 CG2 VAL A 16 10.879 0.209 -0.984 1.00 0.00 C ATOM 0 H VAL A 16 12.119 -1.935 -2.380 1.00 0.00 H new ATOM 0 HA VAL A 16 13.875 -1.272 -0.125 1.00 0.00 H new ATOM 0 HB VAL A 16 12.242 0.432 0.641 1.00 0.00 H new ATOM 0 HG11 VAL A 16 12.751 2.180 -1.014 1.00 0.00 H new ATOM 0 HG12 VAL A 16 14.172 1.166 -0.671 1.00 0.00 H new ATOM 0 HG13 VAL A 16 13.254 0.930 -2.177 1.00 0.00 H new ATOM 0 HG21 VAL A 16 10.474 1.216 -0.883 1.00 0.00 H new ATOM 0 HG22 VAL A 16 10.904 -0.068 -2.038 1.00 0.00 H new ATOM 0 HG23 VAL A 16 10.247 -0.492 -0.439 1.00 0.00 H new ATOM 242 N ASP A 17 12.463 -2.644 1.380 1.00 0.00 N ATOM 243 CA ASP A 17 11.719 -3.579 2.211 1.00 0.00 C ATOM 244 C ASP A 17 10.568 -2.881 2.924 1.00 0.00 C ATOM 245 O ASP A 17 10.725 -1.776 3.449 1.00 0.00 O ATOM 246 CB ASP A 17 12.647 -4.228 3.239 1.00 0.00 C ATOM 247 CG ASP A 17 12.377 -5.711 3.407 1.00 0.00 C ATOM 248 OD1 ASP A 17 11.231 -6.070 3.750 1.00 0.00 O ATOM 249 OD2 ASP A 17 13.311 -6.512 3.196 1.00 0.00 O ATOM 0 H ASP A 17 13.359 -2.353 1.771 1.00 0.00 H new ATOM 0 HA ASP A 17 11.306 -4.351 1.562 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.683 -4.083 2.932 1.00 0.00 H new ATOM 0 HB3 ASP A 17 12.526 -3.728 4.200 1.00 0.00 H new ATOM 254 N ILE A 18 9.409 -3.533 2.950 1.00 0.00 N ATOM 255 CA ILE A 18 8.245 -2.978 3.611 1.00 0.00 C ATOM 256 C ILE A 18 8.427 -3.033 5.118 1.00 0.00 C ATOM 257 O ILE A 18 9.269 -3.777 5.623 1.00 0.00 O ATOM 258 CB ILE A 18 6.956 -3.726 3.200 1.00 0.00 C ATOM 259 CG1 ILE A 18 6.622 -3.417 1.743 1.00 0.00 C ATOM 260 CG2 ILE A 18 5.787 -3.347 4.102 1.00 0.00 C ATOM 261 CD1 ILE A 18 6.064 -4.601 0.987 1.00 0.00 C ATOM 0 H ILE A 18 9.257 -4.445 2.520 1.00 0.00 H new ATOM 0 HA ILE A 18 8.142 -1.938 3.300 1.00 0.00 H new ATOM 0 HB ILE A 18 7.130 -4.796 3.311 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.899 -2.602 1.709 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.522 -3.066 1.239 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.895 -3.889 3.788 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.025 -3.606 5.134 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.604 -2.275 4.030 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.850 -4.308 -0.041 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.794 -5.411 0.989 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.146 -4.939 1.467 1.00 0.00 H new ATOM 273 N ILE A 19 7.650 -2.235 5.832 1.00 0.00 N ATOM 274 CA ILE A 19 7.761 -2.200 7.288 1.00 0.00 C ATOM 275 C ILE A 19 6.404 -2.421 7.969 1.00 0.00 C ATOM 276 O ILE A 19 6.348 -2.794 9.141 1.00 0.00 O ATOM 277 CB ILE A 19 8.444 -0.874 7.786 1.00 0.00 C ATOM 278 CG1 ILE A 19 7.504 -0.012 8.647 1.00 0.00 C ATOM 279 CG2 ILE A 19 8.973 -0.052 6.612 1.00 0.00 C ATOM 280 CD1 ILE A 19 8.160 1.235 9.198 1.00 0.00 C ATOM 0 H ILE A 19 6.945 -1.611 5.439 1.00 0.00 H new ATOM 0 HA ILE A 19 8.407 -3.029 7.578 1.00 0.00 H new ATOM 0 HB ILE A 19 9.280 -1.179 8.415 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.640 0.276 8.049 1.00 0.00 H new ATOM 0 HG13 ILE A 19 7.131 -0.613 9.476 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.440 0.859 6.987 1.00 0.00 H new ATOM 0 HG22 ILE A 19 9.709 -0.637 6.061 1.00 0.00 H new ATOM 0 HG23 ILE A 19 8.148 0.209 5.950 1.00 0.00 H new ATOM 0 HD11 ILE A 19 7.438 1.793 9.794 1.00 0.00 H new ATOM 0 HD12 ILE A 19 9.007 0.954 9.823 1.00 0.00 H new ATOM 0 HD13 ILE A 19 8.508 1.858 8.374 1.00 0.00 H new ATOM 292 N ALA A 20 5.320 -2.182 7.241 1.00 0.00 N ATOM 293 CA ALA A 20 3.985 -2.351 7.796 1.00 0.00 C ATOM 294 C ALA A 20 3.036 -2.977 6.782 1.00 0.00 C ATOM 295 O ALA A 20 3.271 -2.917 5.575 1.00 0.00 O ATOM 296 CB ALA A 20 3.448 -1.007 8.259 1.00 0.00 C ATOM 0 H ALA A 20 5.340 -1.872 6.269 1.00 0.00 H new ATOM 0 HA ALA A 20 4.053 -3.028 8.648 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.449 -1.138 8.674 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.107 -0.596 9.023 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.403 -0.322 7.412 1.00 0.00 H new ATOM 302 N VAL A 21 1.960 -3.574 7.283 1.00 0.00 N ATOM 303 CA VAL A 21 0.967 -4.205 6.423 1.00 0.00 C ATOM 304 C VAL A 21 -0.433 -4.060 7.011 1.00 0.00 C ATOM 305 O VAL A 21 -0.671 -4.407 8.168 1.00 0.00 O ATOM 306 CB VAL A 21 1.274 -5.703 6.205 1.00 0.00 C ATOM 307 CG1 VAL A 21 0.179 -6.371 5.383 1.00 0.00 C ATOM 308 CG2 VAL A 21 2.625 -5.879 5.533 1.00 0.00 C ATOM 0 H VAL A 21 1.754 -3.634 8.280 1.00 0.00 H new ATOM 0 HA VAL A 21 1.010 -3.695 5.460 1.00 0.00 H new ATOM 0 HB VAL A 21 1.307 -6.186 7.182 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.420 -7.425 5.244 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.774 -6.282 5.905 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.106 -5.884 4.410 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.824 -6.941 5.388 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.619 -5.376 4.566 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.403 -5.447 6.162 1.00 0.00 H new ATOM 318 N GLU A 22 -1.357 -3.546 6.206 1.00 0.00 N ATOM 319 CA GLU A 22 -2.735 -3.356 6.646 1.00 0.00 C ATOM 320 C GLU A 22 -3.701 -3.480 5.473 1.00 0.00 C ATOM 321 O GLU A 22 -4.197 -2.479 4.957 1.00 0.00 O ATOM 322 CB GLU A 22 -2.899 -1.988 7.312 1.00 0.00 C ATOM 323 CG GLU A 22 -1.823 -1.670 8.338 1.00 0.00 C ATOM 324 CD GLU A 22 -1.936 -2.522 9.586 1.00 0.00 C ATOM 325 OE1 GLU A 22 -3.070 -2.913 9.937 1.00 0.00 O ATOM 326 OE2 GLU A 22 -0.892 -2.801 10.212 1.00 0.00 O ATOM 0 H GLU A 22 -1.177 -3.254 5.246 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.968 -4.135 7.372 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.892 -1.217 6.542 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.874 -1.946 7.797 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.842 -1.820 7.888 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.889 -0.618 8.614 1.00 0.00 H new ATOM 333 N VAL A 23 -3.963 -4.714 5.055 1.00 0.00 N ATOM 334 CA VAL A 23 -4.869 -4.965 3.942 1.00 0.00 C ATOM 335 C VAL A 23 -5.373 -6.405 3.954 1.00 0.00 C ATOM 336 O VAL A 23 -4.627 -7.332 4.268 1.00 0.00 O ATOM 337 CB VAL A 23 -4.191 -4.678 2.589 1.00 0.00 C ATOM 338 CG1 VAL A 23 -4.116 -3.180 2.338 1.00 0.00 C ATOM 339 CG2 VAL A 23 -2.805 -5.302 2.544 1.00 0.00 C ATOM 0 H VAL A 23 -3.561 -5.554 5.470 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.715 -4.289 4.065 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.793 -5.127 1.799 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.634 -2.996 1.378 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.123 -2.762 2.325 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.537 -2.707 3.131 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.341 -5.089 1.581 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -2.192 -4.884 3.342 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -2.887 -6.381 2.676 1.00 0.00 H new ATOM 349 N ASN A 24 -6.645 -6.581 3.610 1.00 0.00 N ATOM 350 CA ASN A 24 -7.257 -7.904 3.581 1.00 0.00 C ATOM 351 C ASN A 24 -8.136 -8.080 2.346 1.00 0.00 C ATOM 352 O ASN A 24 -8.990 -8.965 2.302 1.00 0.00 O ATOM 353 CB ASN A 24 -8.096 -8.117 4.836 1.00 0.00 C ATOM 354 CG ASN A 24 -7.338 -8.852 5.924 1.00 0.00 C ATOM 355 OD1 ASN A 24 -7.099 -8.311 7.003 1.00 0.00 O ATOM 356 ND2 ASN A 24 -6.956 -10.093 5.645 1.00 0.00 N ATOM 0 H ASN A 24 -7.273 -5.822 3.347 1.00 0.00 H new ATOM 0 HA ASN A 24 -6.457 -8.643 3.543 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -8.426 -7.150 5.217 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -8.993 -8.681 4.578 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.443 -10.637 6.339 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -7.176 -10.502 4.737 1.00 0.00 H new ATOM 363 N VAL A 25 -7.923 -7.231 1.348 1.00 0.00 N ATOM 364 CA VAL A 25 -8.694 -7.287 0.113 1.00 0.00 C ATOM 365 C VAL A 25 -10.160 -6.942 0.365 1.00 0.00 C ATOM 366 O VAL A 25 -10.585 -5.807 0.158 1.00 0.00 O ATOM 367 CB VAL A 25 -8.590 -8.678 -0.546 1.00 0.00 C ATOM 368 CG1 VAL A 25 -9.511 -8.785 -1.754 1.00 0.00 C ATOM 369 CG2 VAL A 25 -7.151 -8.969 -0.942 1.00 0.00 C ATOM 0 H VAL A 25 -7.220 -6.493 1.371 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.272 -6.547 -0.567 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.909 -9.423 0.183 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.416 -9.776 -2.197 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.543 -8.625 -1.440 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.235 -8.030 -2.490 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.093 -9.954 -1.406 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.809 -8.214 -1.650 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.518 -8.948 -0.055 1.00 0.00 H new ATOM 379 N GLY A 26 -10.929 -7.922 0.816 1.00 0.00 N ATOM 380 CA GLY A 26 -12.333 -7.693 1.090 1.00 0.00 C ATOM 381 C GLY A 26 -12.541 -6.902 2.360 1.00 0.00 C ATOM 382 O GLY A 26 -13.199 -7.369 3.291 1.00 0.00 O ATOM 0 H GLY A 26 -10.606 -8.872 0.997 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.783 -7.159 0.253 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.847 -8.651 1.171 1.00 0.00 H new ATOM 386 N ASP A 27 -11.975 -5.701 2.405 1.00 0.00 N ATOM 387 CA ASP A 27 -12.099 -4.850 3.572 1.00 0.00 C ATOM 388 C ASP A 27 -12.584 -3.458 3.179 1.00 0.00 C ATOM 389 O ASP A 27 -12.580 -3.099 2.000 1.00 0.00 O ATOM 390 CB ASP A 27 -10.759 -4.748 4.303 1.00 0.00 C ATOM 391 CG ASP A 27 -10.929 -4.593 5.802 1.00 0.00 C ATOM 392 OD1 ASP A 27 -12.019 -4.924 6.314 1.00 0.00 O ATOM 393 OD2 ASP A 27 -9.972 -4.140 6.464 1.00 0.00 O ATOM 0 H ASP A 27 -11.427 -5.299 1.645 1.00 0.00 H new ATOM 0 HA ASP A 27 -12.834 -5.298 4.240 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.167 -5.640 4.097 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.199 -3.897 3.914 1.00 0.00 H new ATOM 398 N THR A 28 -12.997 -2.674 4.170 1.00 0.00 N ATOM 399 CA THR A 28 -13.482 -1.321 3.925 1.00 0.00 C ATOM 400 C THR A 28 -12.338 -0.313 4.001 1.00 0.00 C ATOM 401 O THR A 28 -11.617 -0.252 4.997 1.00 0.00 O ATOM 402 CB THR A 28 -14.569 -0.954 4.935 1.00 0.00 C ATOM 403 OG1 THR A 28 -15.609 -1.916 4.924 1.00 0.00 O ATOM 404 CG2 THR A 28 -15.194 0.400 4.676 1.00 0.00 C ATOM 0 H THR A 28 -13.005 -2.953 5.151 1.00 0.00 H new ATOM 0 HA THR A 28 -13.906 -1.289 2.921 1.00 0.00 H new ATOM 0 HB THR A 28 -14.067 -0.926 5.902 1.00 0.00 H new ATOM 0 HG1 THR A 28 -16.294 -1.665 5.578 1.00 0.00 H new ATOM 0 HG21 THR A 28 -15.957 0.598 5.429 1.00 0.00 H new ATOM 0 HG22 THR A 28 -14.425 1.171 4.727 1.00 0.00 H new ATOM 0 HG23 THR A 28 -15.650 0.407 3.686 1.00 0.00 H new ATOM 412 N ILE A 29 -12.178 0.475 2.942 1.00 0.00 N ATOM 413 CA ILE A 29 -11.121 1.478 2.890 1.00 0.00 C ATOM 414 C ILE A 29 -11.697 2.879 2.714 1.00 0.00 C ATOM 415 O ILE A 29 -12.687 3.070 2.007 1.00 0.00 O ATOM 416 CB ILE A 29 -10.132 1.193 1.745 1.00 0.00 C ATOM 417 CG1 ILE A 29 -10.870 1.128 0.406 1.00 0.00 C ATOM 418 CG2 ILE A 29 -9.384 -0.106 2.007 1.00 0.00 C ATOM 419 CD1 ILE A 29 -10.314 2.071 -0.639 1.00 0.00 C ATOM 0 H ILE A 29 -12.766 0.438 2.110 1.00 0.00 H new ATOM 0 HA ILE A 29 -10.590 1.425 3.840 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.408 2.006 1.698 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -10.824 0.108 0.024 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -11.923 1.360 0.569 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.688 -0.296 1.190 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.832 -0.025 2.943 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -10.096 -0.928 2.076 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.886 1.970 -1.561 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.385 3.097 -0.278 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.269 1.826 -0.831 1.00 0.00 H new ATOM 431 N ALA A 30 -11.070 3.855 3.362 1.00 0.00 N ATOM 432 CA ALA A 30 -11.518 5.239 3.279 1.00 0.00 C ATOM 433 C ALA A 30 -10.377 6.165 2.870 1.00 0.00 C ATOM 434 O ALA A 30 -9.292 5.710 2.502 1.00 0.00 O ATOM 435 CB ALA A 30 -12.109 5.682 4.608 1.00 0.00 C ATOM 0 H ALA A 30 -10.249 3.712 3.951 1.00 0.00 H new ATOM 0 HA ALA A 30 -12.290 5.299 2.512 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -12.440 6.718 4.532 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -12.959 5.047 4.858 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -11.352 5.599 5.388 1.00 0.00 H new ATOM 441 N VAL A 31 -10.631 7.468 2.928 1.00 0.00 N ATOM 442 CA VAL A 31 -9.628 8.460 2.560 1.00 0.00 C ATOM 443 C VAL A 31 -8.785 8.866 3.765 1.00 0.00 C ATOM 444 O VAL A 31 -8.520 10.050 3.977 1.00 0.00 O ATOM 445 CB VAL A 31 -10.277 9.719 1.957 1.00 0.00 C ATOM 446 CG1 VAL A 31 -9.227 10.603 1.304 1.00 0.00 C ATOM 447 CG2 VAL A 31 -11.358 9.335 0.957 1.00 0.00 C ATOM 0 H VAL A 31 -11.523 7.862 3.227 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.987 7.995 1.811 1.00 0.00 H new ATOM 0 HB VAL A 31 -10.743 10.286 2.763 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.706 11.487 0.884 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -8.493 10.908 2.050 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -8.728 10.049 0.509 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -11.806 10.237 0.541 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -10.917 8.745 0.153 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -12.126 8.747 1.459 1.00 0.00 H new ATOM 457 N ASP A 32 -8.366 7.879 4.553 1.00 0.00 N ATOM 458 CA ASP A 32 -7.552 8.135 5.737 1.00 0.00 C ATOM 459 C ASP A 32 -7.406 6.871 6.580 1.00 0.00 C ATOM 460 O ASP A 32 -8.007 6.754 7.648 1.00 0.00 O ATOM 461 CB ASP A 32 -8.171 9.252 6.581 1.00 0.00 C ATOM 462 CG ASP A 32 -9.682 9.147 6.658 1.00 0.00 C ATOM 463 OD1 ASP A 32 -10.180 8.345 7.475 1.00 0.00 O ATOM 464 OD2 ASP A 32 -10.367 9.869 5.903 1.00 0.00 O ATOM 0 H ASP A 32 -8.577 6.894 4.392 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.563 8.448 5.403 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.755 9.216 7.588 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.898 10.218 6.157 1.00 0.00 H new ATOM 469 N ASP A 33 -6.606 5.927 6.095 1.00 0.00 N ATOM 470 CA ASP A 33 -6.383 4.675 6.808 1.00 0.00 C ATOM 471 C ASP A 33 -5.018 4.095 6.461 1.00 0.00 C ATOM 472 O ASP A 33 -4.852 3.455 5.423 1.00 0.00 O ATOM 473 CB ASP A 33 -7.483 3.665 6.472 1.00 0.00 C ATOM 474 CG ASP A 33 -7.750 3.573 4.983 1.00 0.00 C ATOM 475 OD1 ASP A 33 -8.318 4.532 4.420 1.00 0.00 O ATOM 476 OD2 ASP A 33 -7.390 2.541 4.379 1.00 0.00 O ATOM 0 H ASP A 33 -6.102 6.005 5.212 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.411 4.883 7.878 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.197 2.683 6.848 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.402 3.948 6.986 1.00 0.00 H new ATOM 481 N THR A 34 -4.038 4.323 7.332 1.00 0.00 N ATOM 482 CA THR A 34 -2.686 3.823 7.105 1.00 0.00 C ATOM 483 C THR A 34 -2.695 2.374 6.640 1.00 0.00 C ATOM 484 O THR A 34 -3.115 1.474 7.367 1.00 0.00 O ATOM 485 CB THR A 34 -1.838 3.957 8.359 1.00 0.00 C ATOM 486 OG1 THR A 34 -2.647 4.007 9.520 1.00 0.00 O ATOM 487 CG2 THR A 34 -0.954 5.186 8.349 1.00 0.00 C ATOM 0 H THR A 34 -4.155 4.849 8.198 1.00 0.00 H new ATOM 0 HA THR A 34 -2.248 4.433 6.315 1.00 0.00 H new ATOM 0 HB THR A 34 -1.202 3.072 8.373 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.077 4.092 10.313 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.374 5.225 9.271 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.277 5.140 7.496 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.574 6.079 8.273 1.00 0.00 H new ATOM 495 N LEU A 35 -2.217 2.161 5.421 1.00 0.00 N ATOM 496 CA LEU A 35 -2.151 0.829 4.842 1.00 0.00 C ATOM 497 C LEU A 35 -0.807 0.190 5.155 1.00 0.00 C ATOM 498 O LEU A 35 -0.734 -0.989 5.500 1.00 0.00 O ATOM 499 CB LEU A 35 -2.369 0.892 3.330 1.00 0.00 C ATOM 500 CG LEU A 35 -3.795 1.239 2.898 1.00 0.00 C ATOM 501 CD1 LEU A 35 -3.954 1.067 1.396 1.00 0.00 C ATOM 502 CD2 LEU A 35 -4.802 0.378 3.646 1.00 0.00 C ATOM 0 H LEU A 35 -1.867 2.901 4.812 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.941 0.219 5.279 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.688 1.632 2.910 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.099 -0.072 2.898 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.986 2.283 3.145 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.975 1.318 1.107 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.257 1.727 0.878 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.744 0.033 1.124 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.811 0.638 3.327 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.613 -0.674 3.430 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.704 0.552 4.718 1.00 0.00 H new ATOM 514 N ILE A 36 0.257 0.984 5.052 1.00 0.00 N ATOM 515 CA ILE A 36 1.602 0.500 5.344 1.00 0.00 C ATOM 516 C ILE A 36 2.527 1.639 5.757 1.00 0.00 C ATOM 517 O ILE A 36 2.112 2.796 5.831 1.00 0.00 O ATOM 518 CB ILE A 36 2.228 -0.257 4.147 1.00 0.00 C ATOM 519 CG1 ILE A 36 2.124 0.523 2.828 1.00 0.00 C ATOM 520 CG2 ILE A 36 1.558 -1.607 3.995 1.00 0.00 C ATOM 521 CD1 ILE A 36 2.303 2.022 2.952 1.00 0.00 C ATOM 0 H ILE A 36 0.213 1.963 4.769 1.00 0.00 H new ATOM 0 HA ILE A 36 1.496 -0.198 6.175 1.00 0.00 H new ATOM 0 HB ILE A 36 3.289 -0.379 4.363 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.874 0.139 2.137 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.149 0.325 2.383 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.999 -2.139 3.152 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.700 -2.188 4.906 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.492 -1.466 3.817 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.212 2.482 1.968 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.537 2.426 3.614 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.289 2.238 3.364 1.00 0.00 H new ATOM 533 N THR A 37 3.785 1.304 6.012 1.00 0.00 N ATOM 534 CA THR A 37 4.776 2.298 6.404 1.00 0.00 C ATOM 535 C THR A 37 6.139 1.951 5.818 1.00 0.00 C ATOM 536 O THR A 37 7.113 1.790 6.544 1.00 0.00 O ATOM 537 CB THR A 37 4.861 2.398 7.927 1.00 0.00 C ATOM 538 OG1 THR A 37 3.613 2.786 8.474 1.00 0.00 O ATOM 539 CG2 THR A 37 5.898 3.391 8.403 1.00 0.00 C ATOM 0 H THR A 37 4.144 0.351 5.954 1.00 0.00 H new ATOM 0 HA THR A 37 4.466 3.266 6.011 1.00 0.00 H new ATOM 0 HB THR A 37 5.150 1.403 8.267 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.687 2.843 9.450 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.907 3.413 9.493 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.881 3.094 8.038 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.654 4.383 8.022 1.00 0.00 H new ATOM 547 N LEU A 38 6.190 1.837 4.493 1.00 0.00 N ATOM 548 CA LEU A 38 7.426 1.500 3.779 1.00 0.00 C ATOM 549 C LEU A 38 8.648 2.184 4.382 1.00 0.00 C ATOM 550 O LEU A 38 8.529 3.156 5.128 1.00 0.00 O ATOM 551 CB LEU A 38 7.314 1.893 2.304 1.00 0.00 C ATOM 552 CG LEU A 38 6.620 0.875 1.398 1.00 0.00 C ATOM 553 CD1 LEU A 38 7.112 -0.531 1.685 1.00 0.00 C ATOM 554 CD2 LEU A 38 5.112 0.961 1.563 1.00 0.00 C ATOM 0 H LEU A 38 5.383 1.974 3.884 1.00 0.00 H new ATOM 0 HA LEU A 38 7.558 0.422 3.873 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.774 2.838 2.239 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.317 2.072 1.917 1.00 0.00 H new ATOM 0 HG LEU A 38 6.869 1.113 0.364 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.603 -1.236 1.028 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.187 -0.583 1.511 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.900 -0.786 2.723 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.632 0.230 0.912 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.847 0.752 2.599 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.773 1.962 1.296 1.00 0.00 H new ATOM 566 N GLU A 39 9.826 1.667 4.039 1.00 0.00 N ATOM 567 CA GLU A 39 11.079 2.223 4.531 1.00 0.00 C ATOM 568 C GLU A 39 12.270 1.516 3.897 1.00 0.00 C ATOM 569 O GLU A 39 12.163 0.374 3.450 1.00 0.00 O ATOM 570 CB GLU A 39 11.150 2.108 6.051 1.00 0.00 C ATOM 571 CG GLU A 39 12.401 2.725 6.651 1.00 0.00 C ATOM 572 CD GLU A 39 12.532 2.449 8.136 1.00 0.00 C ATOM 573 OE1 GLU A 39 11.498 2.180 8.783 1.00 0.00 O ATOM 574 OE2 GLU A 39 13.668 2.502 8.652 1.00 0.00 O ATOM 0 H GLU A 39 9.936 0.863 3.421 1.00 0.00 H new ATOM 0 HA GLU A 39 11.115 3.277 4.254 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.274 2.590 6.485 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.105 1.055 6.330 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.278 2.335 6.134 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.386 3.802 6.485 1.00 0.00 H new ATOM 581 N THR A 40 13.405 2.204 3.858 1.00 0.00 N ATOM 582 CA THR A 40 14.620 1.645 3.274 1.00 0.00 C ATOM 583 C THR A 40 15.761 1.666 4.287 1.00 0.00 C ATOM 584 O THR A 40 16.025 0.672 4.963 1.00 0.00 O ATOM 585 CB THR A 40 15.017 2.418 2.004 1.00 0.00 C ATOM 586 OG1 THR A 40 16.426 2.504 1.875 1.00 0.00 O ATOM 587 CG2 THR A 40 14.467 3.831 1.948 1.00 0.00 C ATOM 0 H THR A 40 13.510 3.150 4.224 1.00 0.00 H new ATOM 0 HA THR A 40 14.421 0.609 2.999 1.00 0.00 H new ATOM 0 HB THR A 40 14.579 1.844 1.187 1.00 0.00 H new ATOM 0 HG1 THR A 40 16.650 2.999 1.059 1.00 0.00 H new ATOM 0 HG21 THR A 40 14.790 4.311 1.024 1.00 0.00 H new ATOM 0 HG22 THR A 40 13.378 3.799 1.979 1.00 0.00 H new ATOM 0 HG23 THR A 40 14.838 4.400 2.801 1.00 0.00 H new ATOM 595 N ASP A 41 16.432 2.806 4.383 1.00 0.00 N ATOM 596 CA ASP A 41 17.545 2.964 5.310 1.00 0.00 C ATOM 597 C ASP A 41 17.579 4.378 5.883 1.00 0.00 C ATOM 598 O ASP A 41 17.800 4.569 7.079 1.00 0.00 O ATOM 599 CB ASP A 41 18.869 2.655 4.610 1.00 0.00 C ATOM 600 CG ASP A 41 18.925 3.214 3.202 1.00 0.00 C ATOM 601 OD1 ASP A 41 19.030 4.450 3.058 1.00 0.00 O ATOM 602 OD2 ASP A 41 18.862 2.416 2.243 1.00 0.00 O ATOM 0 H ASP A 41 16.224 3.637 3.829 1.00 0.00 H new ATOM 0 HA ASP A 41 17.403 2.261 6.130 1.00 0.00 H new ATOM 0 HB2 ASP A 41 19.691 3.069 5.195 1.00 0.00 H new ATOM 0 HB3 ASP A 41 19.015 1.575 4.575 1.00 0.00 H new ATOM 607 N LYS A 42 17.359 5.367 5.022 1.00 0.00 N ATOM 608 CA LYS A 42 17.365 6.763 5.446 1.00 0.00 C ATOM 609 C LYS A 42 16.067 7.460 5.054 1.00 0.00 C ATOM 610 O LYS A 42 16.082 8.596 4.580 1.00 0.00 O ATOM 611 CB LYS A 42 18.558 7.497 4.831 1.00 0.00 C ATOM 612 CG LYS A 42 18.751 8.905 5.371 1.00 0.00 C ATOM 613 CD LYS A 42 19.971 8.994 6.272 1.00 0.00 C ATOM 614 CE LYS A 42 20.408 10.435 6.477 1.00 0.00 C ATOM 615 NZ LYS A 42 21.803 10.666 6.010 1.00 0.00 N ATOM 0 H LYS A 42 17.175 5.228 4.028 1.00 0.00 H new ATOM 0 HA LYS A 42 17.452 6.786 6.532 1.00 0.00 H new ATOM 0 HB2 LYS A 42 19.464 6.919 5.015 1.00 0.00 H new ATOM 0 HB3 LYS A 42 18.426 7.546 3.750 1.00 0.00 H new ATOM 0 HG2 LYS A 42 18.859 9.603 4.540 1.00 0.00 H new ATOM 0 HG3 LYS A 42 17.864 9.207 5.927 1.00 0.00 H new ATOM 0 HD2 LYS A 42 19.746 8.540 7.237 1.00 0.00 H new ATOM 0 HD3 LYS A 42 20.790 8.423 5.835 1.00 0.00 H new ATOM 0 HE2 LYS A 42 19.731 11.099 5.940 1.00 0.00 H new ATOM 0 HE3 LYS A 42 20.332 10.690 7.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 22.062 11.661 6.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 22.453 10.051 6.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 21.870 10.448 4.995 1.00 0.00 H new ATOM 629 N ALA A 43 14.945 6.775 5.254 1.00 0.00 N ATOM 630 CA ALA A 43 13.642 7.336 4.921 1.00 0.00 C ATOM 631 C ALA A 43 12.526 6.323 5.156 1.00 0.00 C ATOM 632 O ALA A 43 12.652 5.151 4.804 1.00 0.00 O ATOM 633 CB ALA A 43 13.628 7.812 3.476 1.00 0.00 C ATOM 0 H ALA A 43 14.913 5.833 5.644 1.00 0.00 H new ATOM 0 HA ALA A 43 13.465 8.188 5.577 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.649 8.229 3.240 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.391 8.578 3.338 1.00 0.00 H new ATOM 0 HB3 ALA A 43 13.834 6.971 2.814 1.00 0.00 H new ATOM 639 N THR A 44 11.432 6.788 5.752 1.00 0.00 N ATOM 640 CA THR A 44 10.287 5.929 6.033 1.00 0.00 C ATOM 641 C THR A 44 9.000 6.568 5.523 1.00 0.00 C ATOM 642 O THR A 44 8.643 7.674 5.929 1.00 0.00 O ATOM 643 CB THR A 44 10.178 5.663 7.536 1.00 0.00 C ATOM 644 OG1 THR A 44 9.485 6.715 8.182 1.00 0.00 O ATOM 645 CG2 THR A 44 11.521 5.511 8.217 1.00 0.00 C ATOM 0 H THR A 44 11.315 7.756 6.050 1.00 0.00 H new ATOM 0 HA THR A 44 10.435 4.981 5.516 1.00 0.00 H new ATOM 0 HB THR A 44 9.637 4.721 7.624 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.346 7.451 7.550 1.00 0.00 H new ATOM 0 HG21 THR A 44 11.371 5.324 9.280 1.00 0.00 H new ATOM 0 HG22 THR A 44 12.061 4.674 7.774 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.100 6.425 8.087 1.00 0.00 H new ATOM 653 N MET A 45 8.310 5.872 4.624 1.00 0.00 N ATOM 654 CA MET A 45 7.067 6.384 4.055 1.00 0.00 C ATOM 655 C MET A 45 5.856 5.617 4.576 1.00 0.00 C ATOM 656 O MET A 45 5.967 4.468 4.994 1.00 0.00 O ATOM 657 CB MET A 45 7.111 6.300 2.529 1.00 0.00 C ATOM 658 CG MET A 45 7.137 7.659 1.849 1.00 0.00 C ATOM 659 SD MET A 45 5.744 8.701 2.323 1.00 0.00 S ATOM 660 CE MET A 45 6.594 10.060 3.124 1.00 0.00 C ATOM 0 H MET A 45 8.589 4.955 4.275 1.00 0.00 H new ATOM 0 HA MET A 45 6.968 7.426 4.361 1.00 0.00 H new ATOM 0 HB2 MET A 45 7.994 5.735 2.229 1.00 0.00 H new ATOM 0 HB3 MET A 45 6.242 5.743 2.178 1.00 0.00 H new ATOM 0 HG2 MET A 45 8.068 8.168 2.099 1.00 0.00 H new ATOM 0 HG3 MET A 45 7.130 7.520 0.768 1.00 0.00 H new ATOM 0 HE1 MET A 45 5.873 10.668 3.671 1.00 0.00 H new ATOM 0 HE2 MET A 45 7.337 9.666 3.818 1.00 0.00 H new ATOM 0 HE3 MET A 45 7.089 10.674 2.371 1.00 0.00 H new ATOM 670 N ASP A 46 4.697 6.268 4.535 1.00 0.00 N ATOM 671 CA ASP A 46 3.454 5.658 4.992 1.00 0.00 C ATOM 672 C ASP A 46 2.298 6.056 4.080 1.00 0.00 C ATOM 673 O ASP A 46 2.255 7.177 3.574 1.00 0.00 O ATOM 674 CB ASP A 46 3.152 6.075 6.433 1.00 0.00 C ATOM 675 CG ASP A 46 3.184 7.580 6.617 1.00 0.00 C ATOM 676 OD1 ASP A 46 4.232 8.192 6.325 1.00 0.00 O ATOM 677 OD2 ASP A 46 2.160 8.146 7.055 1.00 0.00 O ATOM 0 H ASP A 46 4.594 7.222 4.188 1.00 0.00 H new ATOM 0 HA ASP A 46 3.571 4.575 4.957 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.171 5.697 6.720 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.879 5.614 7.102 1.00 0.00 H new ATOM 682 N VAL A 47 1.361 5.136 3.872 1.00 0.00 N ATOM 683 CA VAL A 47 0.213 5.409 3.016 1.00 0.00 C ATOM 684 C VAL A 47 -1.091 5.340 3.806 1.00 0.00 C ATOM 685 O VAL A 47 -1.437 4.286 4.341 1.00 0.00 O ATOM 686 CB VAL A 47 0.134 4.414 1.840 1.00 0.00 C ATOM 687 CG1 VAL A 47 -1.116 4.671 1.004 1.00 0.00 C ATOM 688 CG2 VAL A 47 1.386 4.500 0.983 1.00 0.00 C ATOM 0 H VAL A 47 1.374 4.202 4.281 1.00 0.00 H new ATOM 0 HA VAL A 47 0.349 6.417 2.623 1.00 0.00 H new ATOM 0 HB VAL A 47 0.069 3.404 2.246 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.155 3.960 0.179 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.002 4.552 1.628 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.086 5.686 0.607 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.312 3.791 0.159 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.486 5.510 0.585 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.259 4.261 1.590 1.00 0.00 H new ATOM 698 N PRO A 48 -1.836 6.460 3.879 1.00 0.00 N ATOM 699 CA PRO A 48 -3.103 6.525 4.594 1.00 0.00 C ATOM 700 C PRO A 48 -4.292 6.173 3.701 1.00 0.00 C ATOM 701 O PRO A 48 -5.399 6.670 3.904 1.00 0.00 O ATOM 702 CB PRO A 48 -3.164 7.989 5.011 1.00 0.00 C ATOM 703 CG PRO A 48 -2.478 8.726 3.907 1.00 0.00 C ATOM 704 CD PRO A 48 -1.503 7.760 3.268 1.00 0.00 C ATOM 0 HA PRO A 48 -3.157 5.817 5.421 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -4.194 8.324 5.131 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.663 8.150 5.966 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -3.202 9.084 3.175 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -1.956 9.601 4.294 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -1.620 7.733 2.185 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -0.470 8.043 3.470 1.00 0.00 H new ATOM 712 N ALA A 49 -4.054 5.314 2.714 1.00 0.00 N ATOM 713 CA ALA A 49 -5.102 4.896 1.790 1.00 0.00 C ATOM 714 C ALA A 49 -5.825 6.098 1.193 1.00 0.00 C ATOM 715 O ALA A 49 -6.669 6.715 1.843 1.00 0.00 O ATOM 716 CB ALA A 49 -6.090 3.978 2.490 1.00 0.00 C ATOM 0 H ALA A 49 -3.142 4.893 2.534 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.630 4.349 0.974 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.866 3.675 1.787 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.568 3.095 2.858 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.546 4.505 3.328 1.00 0.00 H new ATOM 722 N GLU A 50 -5.494 6.420 -0.051 1.00 0.00 N ATOM 723 CA GLU A 50 -6.114 7.539 -0.743 1.00 0.00 C ATOM 724 C GLU A 50 -7.251 7.050 -1.625 1.00 0.00 C ATOM 725 O GLU A 50 -7.165 7.091 -2.852 1.00 0.00 O ATOM 726 CB GLU A 50 -5.079 8.288 -1.584 1.00 0.00 C ATOM 727 CG GLU A 50 -4.187 9.210 -0.770 1.00 0.00 C ATOM 728 CD GLU A 50 -2.798 8.639 -0.555 1.00 0.00 C ATOM 729 OE1 GLU A 50 -2.691 7.422 -0.289 1.00 0.00 O ATOM 730 OE2 GLU A 50 -1.818 9.406 -0.654 1.00 0.00 O ATOM 0 H GLU A 50 -4.797 5.919 -0.602 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.518 8.224 0.002 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.456 7.563 -2.109 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.596 8.874 -2.344 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.106 10.172 -1.277 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.652 9.398 0.198 1.00 0.00 H new ATOM 737 N VAL A 51 -8.309 6.568 -0.987 1.00 0.00 N ATOM 738 CA VAL A 51 -9.463 6.046 -1.708 1.00 0.00 C ATOM 739 C VAL A 51 -10.703 6.047 -0.826 1.00 0.00 C ATOM 740 O VAL A 51 -10.686 6.576 0.281 1.00 0.00 O ATOM 741 CB VAL A 51 -9.205 4.611 -2.222 1.00 0.00 C ATOM 742 CG1 VAL A 51 -8.819 4.639 -3.692 1.00 0.00 C ATOM 743 CG2 VAL A 51 -8.127 3.915 -1.396 1.00 0.00 C ATOM 0 H VAL A 51 -8.392 6.527 0.029 1.00 0.00 H new ATOM 0 HA VAL A 51 -9.629 6.702 -2.563 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.128 4.041 -2.114 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.640 3.622 -4.041 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.627 5.085 -4.272 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.912 5.231 -3.819 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.967 2.908 -1.781 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -7.197 4.480 -1.461 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.445 3.859 -0.355 1.00 0.00 H new ATOM 753 N ALA A 52 -11.781 5.459 -1.328 1.00 0.00 N ATOM 754 CA ALA A 52 -13.032 5.401 -0.581 1.00 0.00 C ATOM 755 C ALA A 52 -13.936 4.296 -1.099 1.00 0.00 C ATOM 756 O ALA A 52 -15.034 4.558 -1.589 1.00 0.00 O ATOM 757 CB ALA A 52 -13.750 6.727 -0.665 1.00 0.00 C ATOM 0 H ALA A 52 -11.815 5.017 -2.246 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.789 5.183 0.459 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.683 6.672 -0.104 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.119 7.510 -0.244 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -13.967 6.958 -1.708 1.00 0.00 H new ATOM 763 N GLY A 53 -13.474 3.065 -0.985 1.00 0.00 N ATOM 764 CA GLY A 53 -14.263 1.942 -1.451 1.00 0.00 C ATOM 765 C GLY A 53 -13.880 0.632 -0.790 1.00 0.00 C ATOM 766 O GLY A 53 -13.979 0.490 0.428 1.00 0.00 O ATOM 0 H GLY A 53 -12.570 2.820 -0.580 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.318 2.143 -1.262 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.145 1.846 -2.530 1.00 0.00 H new ATOM 770 N VAL A 54 -13.454 -0.332 -1.600 1.00 0.00 N ATOM 771 CA VAL A 54 -13.068 -1.645 -1.095 1.00 0.00 C ATOM 772 C VAL A 54 -11.929 -2.239 -1.916 1.00 0.00 C ATOM 773 O VAL A 54 -11.910 -2.114 -3.140 1.00 0.00 O ATOM 774 CB VAL A 54 -14.263 -2.615 -1.127 1.00 0.00 C ATOM 775 CG1 VAL A 54 -13.860 -3.986 -0.602 1.00 0.00 C ATOM 776 CG2 VAL A 54 -15.429 -2.052 -0.329 1.00 0.00 C ATOM 0 H VAL A 54 -13.367 -0.228 -2.611 1.00 0.00 H new ATOM 0 HA VAL A 54 -12.734 -1.509 -0.066 1.00 0.00 H new ATOM 0 HB VAL A 54 -14.582 -2.731 -2.163 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -14.720 -4.655 -0.634 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -13.061 -4.393 -1.222 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -13.510 -3.893 0.426 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -16.264 -2.751 -0.363 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -15.123 -1.902 0.706 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -15.736 -1.098 -0.758 1.00 0.00 H new ATOM 786 N VAL A 55 -10.983 -2.891 -1.241 1.00 0.00 N ATOM 787 CA VAL A 55 -9.851 -3.503 -1.930 1.00 0.00 C ATOM 788 C VAL A 55 -10.246 -4.820 -2.580 1.00 0.00 C ATOM 789 O VAL A 55 -11.184 -5.491 -2.149 1.00 0.00 O ATOM 790 CB VAL A 55 -8.653 -3.755 -0.986 1.00 0.00 C ATOM 791 CG1 VAL A 55 -7.501 -4.419 -1.739 1.00 0.00 C ATOM 792 CG2 VAL A 55 -8.195 -2.452 -0.348 1.00 0.00 C ATOM 0 H VAL A 55 -10.978 -3.008 -0.228 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.547 -2.790 -2.696 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.977 -4.431 -0.195 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.669 -4.587 -1.056 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.835 -5.373 -2.146 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.177 -3.771 -2.553 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.351 -2.648 0.313 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.891 -1.753 -1.127 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -9.014 -2.021 0.227 1.00 0.00 H new ATOM 802 N LYS A 56 -9.505 -5.184 -3.612 1.00 0.00 N ATOM 803 CA LYS A 56 -9.739 -6.428 -4.333 1.00 0.00 C ATOM 804 C LYS A 56 -8.448 -7.213 -4.402 1.00 0.00 C ATOM 805 O LYS A 56 -8.419 -8.419 -4.163 1.00 0.00 O ATOM 806 CB LYS A 56 -10.234 -6.173 -5.763 1.00 0.00 C ATOM 807 CG LYS A 56 -10.544 -4.716 -6.076 1.00 0.00 C ATOM 808 CD LYS A 56 -11.920 -4.316 -5.572 1.00 0.00 C ATOM 809 CE LYS A 56 -13.018 -4.811 -6.501 1.00 0.00 C ATOM 810 NZ LYS A 56 -14.129 -5.460 -5.752 1.00 0.00 N ATOM 0 H LYS A 56 -8.728 -4.631 -3.974 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.507 -6.985 -3.797 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.479 -6.529 -6.464 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.132 -6.767 -5.934 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -9.789 -4.077 -5.619 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.489 -4.555 -7.153 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -12.076 -4.723 -4.573 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.976 -3.231 -5.486 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -13.410 -3.974 -7.078 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.598 -5.520 -7.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -14.857 -5.783 -6.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -13.760 -6.275 -5.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -14.547 -4.776 -5.090 1.00 0.00 H new ATOM 824 N GLU A 57 -7.378 -6.510 -4.747 1.00 0.00 N ATOM 825 CA GLU A 57 -6.084 -7.132 -4.862 1.00 0.00 C ATOM 826 C GLU A 57 -5.167 -6.719 -3.717 1.00 0.00 C ATOM 827 O GLU A 57 -5.445 -5.759 -2.998 1.00 0.00 O ATOM 828 CB GLU A 57 -5.443 -6.783 -6.206 1.00 0.00 C ATOM 829 CG GLU A 57 -5.672 -7.834 -7.278 1.00 0.00 C ATOM 830 CD GLU A 57 -5.359 -7.325 -8.672 1.00 0.00 C ATOM 831 OE1 GLU A 57 -5.262 -6.092 -8.845 1.00 0.00 O ATOM 832 OE2 GLU A 57 -5.210 -8.159 -9.590 1.00 0.00 O ATOM 0 H GLU A 57 -7.389 -5.510 -4.950 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.226 -8.211 -4.807 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.841 -5.829 -6.553 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.371 -6.648 -6.064 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.052 -8.705 -7.066 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.710 -8.165 -7.241 1.00 0.00 H new ATOM 839 N VAL A 58 -4.077 -7.457 -3.553 1.00 0.00 N ATOM 840 CA VAL A 58 -3.114 -7.182 -2.494 1.00 0.00 C ATOM 841 C VAL A 58 -1.785 -7.863 -2.787 1.00 0.00 C ATOM 842 O VAL A 58 -1.726 -9.079 -2.978 1.00 0.00 O ATOM 843 CB VAL A 58 -3.637 -7.666 -1.131 1.00 0.00 C ATOM 844 CG1 VAL A 58 -3.794 -9.179 -1.132 1.00 0.00 C ATOM 845 CG2 VAL A 58 -2.711 -7.219 -0.012 1.00 0.00 C ATOM 0 H VAL A 58 -3.837 -8.254 -4.142 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.969 -6.102 -2.457 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.616 -7.220 -0.957 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.165 -9.507 -0.161 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.502 -9.471 -1.908 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.828 -9.645 -1.328 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.099 -7.571 0.944 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.716 -7.634 -0.175 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.653 -6.131 -0.001 1.00 0.00 H new ATOM 855 N LYS A 59 -0.720 -7.076 -2.824 1.00 0.00 N ATOM 856 CA LYS A 59 0.608 -7.605 -3.097 1.00 0.00 C ATOM 857 C LYS A 59 1.655 -6.873 -2.273 1.00 0.00 C ATOM 858 O LYS A 59 2.355 -5.994 -2.775 1.00 0.00 O ATOM 859 CB LYS A 59 0.923 -7.479 -4.582 1.00 0.00 C ATOM 860 CG LYS A 59 -0.145 -8.093 -5.471 1.00 0.00 C ATOM 861 CD LYS A 59 -1.180 -7.061 -5.885 1.00 0.00 C ATOM 862 CE LYS A 59 -1.614 -7.254 -7.329 1.00 0.00 C ATOM 863 NZ LYS A 59 -0.499 -7.003 -8.282 1.00 0.00 N ATOM 0 H LYS A 59 -0.750 -6.068 -2.668 1.00 0.00 H new ATOM 0 HA LYS A 59 0.627 -8.659 -2.818 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.036 -6.425 -4.835 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.879 -7.961 -4.787 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.320 -8.521 -6.359 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.635 -8.911 -4.942 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.049 -7.133 -5.230 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.768 -6.060 -5.759 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -1.985 -8.270 -7.464 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.441 -6.580 -7.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.887 -6.694 -9.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.123 -6.261 -7.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.047 -7.878 -8.416 1.00 0.00 H new ATOM 877 N VAL A 60 1.747 -7.237 -1.002 1.00 0.00 N ATOM 878 CA VAL A 60 2.696 -6.611 -0.095 1.00 0.00 C ATOM 879 C VAL A 60 2.704 -7.336 1.250 1.00 0.00 C ATOM 880 O VAL A 60 1.686 -7.872 1.688 1.00 0.00 O ATOM 881 CB VAL A 60 2.377 -5.096 0.090 1.00 0.00 C ATOM 882 CG1 VAL A 60 0.881 -4.837 -0.051 1.00 0.00 C ATOM 883 CG2 VAL A 60 2.891 -4.549 1.422 1.00 0.00 C ATOM 0 H VAL A 60 1.174 -7.965 -0.575 1.00 0.00 H new ATOM 0 HA VAL A 60 3.691 -6.689 -0.533 1.00 0.00 H new ATOM 0 HB VAL A 60 2.905 -4.564 -0.701 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.682 -3.774 0.082 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.550 -5.147 -1.042 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.340 -5.405 0.706 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.643 -3.491 1.501 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.424 -5.093 2.243 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.973 -4.673 1.473 1.00 0.00 H new ATOM 893 N LYS A 61 3.862 -7.341 1.896 1.00 0.00 N ATOM 894 CA LYS A 61 4.015 -7.994 3.191 1.00 0.00 C ATOM 895 C LYS A 61 4.880 -7.152 4.122 1.00 0.00 C ATOM 896 O LYS A 61 5.523 -6.196 3.692 1.00 0.00 O ATOM 897 CB LYS A 61 4.633 -9.382 3.017 1.00 0.00 C ATOM 898 CG LYS A 61 4.105 -10.412 4.003 1.00 0.00 C ATOM 899 CD LYS A 61 3.130 -11.371 3.337 1.00 0.00 C ATOM 900 CE LYS A 61 3.278 -12.782 3.883 1.00 0.00 C ATOM 901 NZ LYS A 61 2.376 -13.028 5.042 1.00 0.00 N ATOM 0 H LYS A 61 4.712 -6.899 1.544 1.00 0.00 H new ATOM 0 HA LYS A 61 3.026 -8.100 3.637 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.441 -9.731 2.002 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.715 -9.305 3.129 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.938 -10.973 4.426 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.610 -9.905 4.831 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.109 -11.023 3.496 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.301 -11.376 2.260 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.059 -13.501 3.094 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.312 -12.947 4.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.508 -14.001 5.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.602 -12.359 5.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.388 -12.896 4.747 1.00 0.00 H new ATOM 915 N VAL A 62 4.883 -7.509 5.401 1.00 0.00 N ATOM 916 CA VAL A 62 5.663 -6.780 6.393 1.00 0.00 C ATOM 917 C VAL A 62 7.121 -7.224 6.385 1.00 0.00 C ATOM 918 O VAL A 62 7.663 -7.631 7.413 1.00 0.00 O ATOM 919 CB VAL A 62 5.085 -6.966 7.810 1.00 0.00 C ATOM 920 CG1 VAL A 62 5.239 -8.406 8.272 1.00 0.00 C ATOM 921 CG2 VAL A 62 5.749 -6.009 8.788 1.00 0.00 C ATOM 0 H VAL A 62 4.355 -8.298 5.775 1.00 0.00 H new ATOM 0 HA VAL A 62 5.609 -5.725 6.123 1.00 0.00 H new ATOM 0 HB VAL A 62 4.020 -6.736 7.778 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.824 -8.513 9.274 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.708 -9.067 7.587 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.296 -8.672 8.287 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.328 -6.155 9.783 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.821 -6.203 8.816 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.574 -4.982 8.467 1.00 0.00 H new ATOM 931 N GLY A 63 7.755 -7.141 5.218 1.00 0.00 N ATOM 932 CA GLY A 63 9.146 -7.536 5.103 1.00 0.00 C ATOM 933 C GLY A 63 9.479 -8.131 3.746 1.00 0.00 C ATOM 934 O GLY A 63 9.885 -9.289 3.655 1.00 0.00 O ATOM 0 H GLY A 63 7.330 -6.808 4.353 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.781 -6.668 5.280 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.378 -8.264 5.880 1.00 0.00 H new ATOM 938 N ASP A 64 9.311 -7.337 2.693 1.00 0.00 N ATOM 939 CA ASP A 64 9.604 -7.797 1.339 1.00 0.00 C ATOM 940 C ASP A 64 10.075 -6.640 0.459 1.00 0.00 C ATOM 941 O ASP A 64 9.691 -5.490 0.670 1.00 0.00 O ATOM 942 CB ASP A 64 8.372 -8.471 0.723 1.00 0.00 C ATOM 943 CG ASP A 64 7.302 -7.479 0.308 1.00 0.00 C ATOM 944 OD1 ASP A 64 7.523 -6.747 -0.680 1.00 0.00 O ATOM 945 OD2 ASP A 64 6.242 -7.439 0.966 1.00 0.00 O ATOM 0 H ASP A 64 8.975 -6.376 2.750 1.00 0.00 H new ATOM 0 HA ASP A 64 10.409 -8.529 1.397 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.679 -9.052 -0.147 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.950 -9.173 1.442 1.00 0.00 H new ATOM 950 N LYS A 65 10.912 -6.956 -0.523 1.00 0.00 N ATOM 951 CA LYS A 65 11.445 -5.948 -1.434 1.00 0.00 C ATOM 952 C LYS A 65 10.336 -5.324 -2.276 1.00 0.00 C ATOM 953 O LYS A 65 9.614 -6.023 -2.987 1.00 0.00 O ATOM 954 CB LYS A 65 12.506 -6.566 -2.347 1.00 0.00 C ATOM 955 CG LYS A 65 13.816 -6.873 -1.640 1.00 0.00 C ATOM 956 CD LYS A 65 15.012 -6.509 -2.503 1.00 0.00 C ATOM 957 CE LYS A 65 15.966 -7.681 -2.660 1.00 0.00 C ATOM 958 NZ LYS A 65 17.194 -7.300 -3.410 1.00 0.00 N ATOM 0 H LYS A 65 11.237 -7.905 -0.709 1.00 0.00 H new ATOM 0 HA LYS A 65 11.902 -5.162 -0.833 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.111 -7.486 -2.777 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.701 -5.885 -3.175 1.00 0.00 H new ATOM 0 HG2 LYS A 65 13.862 -6.321 -0.701 1.00 0.00 H new ATOM 0 HG3 LYS A 65 13.856 -7.933 -1.389 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.668 -6.185 -3.485 1.00 0.00 H new ATOM 0 HD3 LYS A 65 15.540 -5.666 -2.057 1.00 0.00 H new ATOM 0 HE2 LYS A 65 16.244 -8.057 -1.676 1.00 0.00 H new ATOM 0 HE3 LYS A 65 15.460 -8.494 -3.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 17.819 -8.127 -3.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.931 -6.965 -4.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 17.691 -6.542 -2.900 1.00 0.00 H new ATOM 972 N ILE A 66 10.207 -4.004 -2.187 1.00 0.00 N ATOM 973 CA ILE A 66 9.188 -3.281 -2.935 1.00 0.00 C ATOM 974 C ILE A 66 9.791 -2.078 -3.665 1.00 0.00 C ATOM 975 O ILE A 66 10.944 -1.714 -3.435 1.00 0.00 O ATOM 976 CB ILE A 66 8.012 -2.859 -1.999 1.00 0.00 C ATOM 977 CG1 ILE A 66 6.686 -3.281 -2.624 1.00 0.00 C ATOM 978 CG2 ILE A 66 8.003 -1.365 -1.668 1.00 0.00 C ATOM 979 CD1 ILE A 66 6.638 -4.756 -2.937 1.00 0.00 C ATOM 0 H ILE A 66 10.798 -3.413 -1.602 1.00 0.00 H new ATOM 0 HA ILE A 66 8.782 -3.949 -3.695 1.00 0.00 H new ATOM 0 HB ILE A 66 8.158 -3.373 -1.049 1.00 0.00 H new ATOM 0 HG12 ILE A 66 5.872 -3.031 -1.944 1.00 0.00 H new ATOM 0 HG13 ILE A 66 6.523 -2.713 -3.540 1.00 0.00 H new ATOM 0 HG21 ILE A 66 7.160 -1.142 -1.014 1.00 0.00 H new ATOM 0 HG22 ILE A 66 8.932 -1.098 -1.165 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.910 -0.789 -2.589 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.673 -5.003 -3.380 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.434 -5.005 -3.639 1.00 0.00 H new ATOM 0 HD13 ILE A 66 6.772 -5.327 -2.019 1.00 0.00 H new ATOM 991 N SER A 67 9.004 -1.470 -4.547 1.00 0.00 N ATOM 992 CA SER A 67 9.464 -0.316 -5.309 1.00 0.00 C ATOM 993 C SER A 67 8.302 0.595 -5.693 1.00 0.00 C ATOM 994 O SER A 67 7.173 0.139 -5.875 1.00 0.00 O ATOM 995 CB SER A 67 10.198 -0.773 -6.566 1.00 0.00 C ATOM 996 OG SER A 67 9.520 -1.849 -7.191 1.00 0.00 O ATOM 0 H SER A 67 8.047 -1.757 -4.751 1.00 0.00 H new ATOM 0 HA SER A 67 10.147 0.250 -4.676 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.285 0.060 -7.263 1.00 0.00 H new ATOM 0 HB3 SER A 67 11.212 -1.079 -6.308 1.00 0.00 H new ATOM 0 HG SER A 67 10.010 -2.122 -7.995 1.00 0.00 H new ATOM 1002 N GLU A 68 8.593 1.887 -5.821 1.00 0.00 N ATOM 1003 CA GLU A 68 7.583 2.871 -6.191 1.00 0.00 C ATOM 1004 C GLU A 68 6.820 2.424 -7.432 1.00 0.00 C ATOM 1005 O GLU A 68 7.290 2.597 -8.557 1.00 0.00 O ATOM 1006 CB GLU A 68 8.239 4.228 -6.445 1.00 0.00 C ATOM 1007 CG GLU A 68 8.117 5.190 -5.277 1.00 0.00 C ATOM 1008 CD GLU A 68 7.958 6.630 -5.722 1.00 0.00 C ATOM 1009 OE1 GLU A 68 8.614 7.021 -6.710 1.00 0.00 O ATOM 1010 OE2 GLU A 68 7.179 7.367 -5.082 1.00 0.00 O ATOM 0 H GLU A 68 9.524 2.277 -5.673 1.00 0.00 H new ATOM 0 HA GLU A 68 6.877 2.962 -5.365 1.00 0.00 H new ATOM 0 HB2 GLU A 68 9.294 4.075 -6.671 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.787 4.681 -7.327 1.00 0.00 H new ATOM 0 HG2 GLU A 68 7.261 4.906 -4.665 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.002 5.104 -4.646 1.00 0.00 H new ATOM 1017 N GLY A 69 5.643 1.849 -7.221 1.00 0.00 N ATOM 1018 CA GLY A 69 4.838 1.386 -8.334 1.00 0.00 C ATOM 1019 C GLY A 69 4.804 -0.125 -8.435 1.00 0.00 C ATOM 1020 O GLY A 69 5.141 -0.691 -9.475 1.00 0.00 O ATOM 0 H GLY A 69 5.232 1.695 -6.300 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.821 1.763 -8.224 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.233 1.800 -9.261 1.00 0.00 H new ATOM 1024 N GLY A 70 4.395 -0.783 -7.355 1.00 0.00 N ATOM 1025 CA GLY A 70 4.326 -2.232 -7.358 1.00 0.00 C ATOM 1026 C GLY A 70 2.899 -2.742 -7.347 1.00 0.00 C ATOM 1027 O GLY A 70 2.650 -3.899 -7.005 1.00 0.00 O ATOM 0 H GLY A 70 4.111 -0.340 -6.481 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.839 -2.616 -8.240 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.854 -2.620 -6.487 1.00 0.00 H new ATOM 1031 N LEU A 71 1.955 -1.876 -7.713 1.00 0.00 N ATOM 1032 CA LEU A 71 0.543 -2.243 -7.736 1.00 0.00 C ATOM 1033 C LEU A 71 0.160 -2.997 -6.469 1.00 0.00 C ATOM 1034 O LEU A 71 -0.481 -4.046 -6.524 1.00 0.00 O ATOM 1035 CB LEU A 71 0.227 -3.094 -8.968 1.00 0.00 C ATOM 1036 CG LEU A 71 -1.248 -3.477 -9.137 1.00 0.00 C ATOM 1037 CD1 LEU A 71 -2.153 -2.296 -8.815 1.00 0.00 C ATOM 1038 CD2 LEU A 71 -1.507 -3.978 -10.550 1.00 0.00 C ATOM 0 H LEU A 71 2.144 -0.915 -7.998 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.042 -1.325 -7.785 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.549 -2.551 -9.857 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.820 -4.008 -8.920 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.476 -4.280 -8.437 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.195 -2.591 -8.942 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.988 -1.981 -7.785 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.925 -1.469 -9.488 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.558 -4.246 -10.654 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.260 -3.193 -11.265 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.888 -4.854 -10.744 1.00 0.00 H new ATOM 1050 N ILE A 72 0.566 -2.452 -5.328 1.00 0.00 N ATOM 1051 CA ILE A 72 0.281 -3.061 -4.034 1.00 0.00 C ATOM 1052 C ILE A 72 -1.164 -3.564 -3.961 1.00 0.00 C ATOM 1053 O ILE A 72 -1.428 -4.747 -4.175 1.00 0.00 O ATOM 1054 CB ILE A 72 0.577 -2.061 -2.886 1.00 0.00 C ATOM 1055 CG1 ILE A 72 2.076 -2.047 -2.597 1.00 0.00 C ATOM 1056 CG2 ILE A 72 -0.202 -2.395 -1.613 1.00 0.00 C ATOM 1057 CD1 ILE A 72 2.593 -0.693 -2.177 1.00 0.00 C ATOM 0 H ILE A 72 1.097 -1.583 -5.273 1.00 0.00 H new ATOM 0 HA ILE A 72 0.936 -3.924 -3.917 1.00 0.00 H new ATOM 0 HB ILE A 72 0.251 -1.073 -3.212 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.294 -2.770 -1.811 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.613 -2.372 -3.488 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.038 -1.667 -0.838 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.271 -2.363 -1.822 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.071 -3.393 -1.271 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.665 -0.755 -1.988 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.406 0.030 -2.971 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.082 -0.374 -1.269 1.00 0.00 H new ATOM 1069 N VAL A 73 -2.090 -2.664 -3.652 1.00 0.00 N ATOM 1070 CA VAL A 73 -3.496 -3.031 -3.548 1.00 0.00 C ATOM 1071 C VAL A 73 -4.379 -2.130 -4.403 1.00 0.00 C ATOM 1072 O VAL A 73 -4.086 -0.952 -4.595 1.00 0.00 O ATOM 1073 CB VAL A 73 -3.985 -2.972 -2.088 1.00 0.00 C ATOM 1074 CG1 VAL A 73 -3.140 -3.874 -1.203 1.00 0.00 C ATOM 1075 CG2 VAL A 73 -3.966 -1.539 -1.576 1.00 0.00 C ATOM 0 H VAL A 73 -1.894 -1.680 -3.470 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.575 -4.055 -3.914 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.013 -3.332 -2.054 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.501 -3.818 -0.176 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -3.212 -4.902 -1.558 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.100 -3.549 -1.240 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -4.315 -1.517 -0.543 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.949 -1.149 -1.624 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.621 -0.923 -2.193 1.00 0.00 H new ATOM 1085 N VAL A 74 -5.468 -2.700 -4.903 1.00 0.00 N ATOM 1086 CA VAL A 74 -6.418 -1.969 -5.732 1.00 0.00 C ATOM 1087 C VAL A 74 -7.784 -1.941 -5.056 1.00 0.00 C ATOM 1088 O VAL A 74 -8.254 -2.964 -4.557 1.00 0.00 O ATOM 1089 CB VAL A 74 -6.546 -2.619 -7.125 1.00 0.00 C ATOM 1090 CG1 VAL A 74 -7.593 -1.909 -7.973 1.00 0.00 C ATOM 1091 CG2 VAL A 74 -5.200 -2.630 -7.833 1.00 0.00 C ATOM 0 H VAL A 74 -5.717 -3.677 -4.747 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.050 -0.951 -5.855 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.874 -3.649 -6.985 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -7.659 -2.391 -8.948 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.561 -1.962 -7.476 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.309 -0.865 -8.103 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.309 -3.092 -8.814 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.843 -1.607 -7.951 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.482 -3.199 -7.242 1.00 0.00 H new ATOM 1101 N VAL A 75 -8.409 -0.768 -5.016 1.00 0.00 N ATOM 1102 CA VAL A 75 -9.704 -0.627 -4.373 1.00 0.00 C ATOM 1103 C VAL A 75 -10.786 -0.169 -5.341 1.00 0.00 C ATOM 1104 O VAL A 75 -10.501 0.287 -6.448 1.00 0.00 O ATOM 1105 CB VAL A 75 -9.626 0.366 -3.207 1.00 0.00 C ATOM 1106 CG1 VAL A 75 -8.590 -0.083 -2.188 1.00 0.00 C ATOM 1107 CG2 VAL A 75 -9.312 1.762 -3.718 1.00 0.00 C ATOM 0 H VAL A 75 -8.039 0.092 -5.420 1.00 0.00 H new ATOM 0 HA VAL A 75 -9.973 -1.616 -4.003 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.597 0.394 -2.712 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.550 0.635 -1.369 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.864 -1.063 -1.798 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.612 -0.143 -2.666 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -9.260 2.454 -2.877 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -8.355 1.752 -4.239 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -10.095 2.083 -4.405 1.00 0.00 H new ATOM 1117 N GLU A 76 -12.035 -0.291 -4.900 1.00 0.00 N ATOM 1118 CA GLU A 76 -13.179 0.109 -5.704 1.00 0.00 C ATOM 1119 C GLU A 76 -13.343 1.626 -5.683 1.00 0.00 C ATOM 1120 O GLU A 76 -13.710 2.235 -6.687 1.00 0.00 O ATOM 1121 CB GLU A 76 -14.452 -0.564 -5.183 1.00 0.00 C ATOM 1122 CG GLU A 76 -15.091 -1.512 -6.185 1.00 0.00 C ATOM 1123 CD GLU A 76 -16.536 -1.825 -5.849 1.00 0.00 C ATOM 1124 OE1 GLU A 76 -17.300 -0.877 -5.570 1.00 0.00 O ATOM 1125 OE2 GLU A 76 -16.904 -3.019 -5.865 1.00 0.00 O ATOM 0 H GLU A 76 -12.278 -0.667 -3.983 1.00 0.00 H new ATOM 0 HA GLU A 76 -13.006 -0.208 -6.732 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -14.215 -1.115 -4.273 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -15.175 0.205 -4.911 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -15.040 -1.071 -7.181 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -14.520 -2.440 -6.218 1.00 0.00 H new ATOM 1132 N ALA A 77 -13.053 2.226 -4.531 1.00 0.00 N ATOM 1133 CA ALA A 77 -13.152 3.669 -4.360 1.00 0.00 C ATOM 1134 C ALA A 77 -14.551 4.188 -4.680 1.00 0.00 C ATOM 1135 O ALA A 77 -15.258 3.635 -5.521 1.00 0.00 O ATOM 1136 CB ALA A 77 -12.116 4.366 -5.221 1.00 0.00 C ATOM 0 H ALA A 77 -12.745 1.727 -3.696 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.958 3.893 -3.311 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.197 5.445 -5.087 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -11.119 4.038 -4.928 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -12.286 4.117 -6.268 1.00 0.00 H new ATOM 1142 N GLU A 78 -14.942 5.263 -3.994 1.00 0.00 N ATOM 1143 CA GLU A 78 -16.256 5.882 -4.185 1.00 0.00 C ATOM 1144 C GLU A 78 -17.349 4.836 -4.399 1.00 0.00 C ATOM 1145 O GLU A 78 -18.072 4.873 -5.394 1.00 0.00 O ATOM 1146 CB GLU A 78 -16.216 6.848 -5.370 1.00 0.00 C ATOM 1147 CG GLU A 78 -15.878 6.180 -6.693 1.00 0.00 C ATOM 1148 CD GLU A 78 -16.450 6.923 -7.884 1.00 0.00 C ATOM 1149 OE1 GLU A 78 -16.246 8.153 -7.971 1.00 0.00 O ATOM 1150 OE2 GLU A 78 -17.102 6.277 -8.731 1.00 0.00 O ATOM 0 H GLU A 78 -14.362 5.727 -3.295 1.00 0.00 H new ATOM 0 HA GLU A 78 -16.497 6.433 -3.276 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -17.185 7.340 -5.459 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -15.480 7.626 -5.168 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -14.795 6.114 -6.796 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -16.260 5.159 -6.688 1.00 0.00 H new ATOM 1157 N GLY A 79 -17.461 3.904 -3.457 1.00 0.00 N ATOM 1158 CA GLY A 79 -18.466 2.863 -3.560 1.00 0.00 C ATOM 1159 C GLY A 79 -19.466 2.905 -2.422 1.00 0.00 C ATOM 1160 O GLY A 79 -20.494 3.577 -2.514 1.00 0.00 O ATOM 0 H GLY A 79 -16.874 3.852 -2.625 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -18.995 2.966 -4.508 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -17.976 1.890 -3.573 1.00 0.00 H new ATOM 1164 N THR A 80 -19.165 2.186 -1.345 1.00 0.00 N ATOM 1165 CA THR A 80 -20.046 2.143 -0.185 1.00 0.00 C ATOM 1166 C THR A 80 -19.503 3.013 0.943 1.00 0.00 C ATOM 1167 O THR A 80 -18.449 3.635 0.810 1.00 0.00 O ATOM 1168 CB THR A 80 -20.213 0.702 0.302 1.00 0.00 C ATOM 1169 OG1 THR A 80 -18.971 0.170 0.726 1.00 0.00 O ATOM 1170 CG2 THR A 80 -20.773 -0.225 -0.755 1.00 0.00 C ATOM 0 H THR A 80 -18.318 1.626 -1.252 1.00 0.00 H new ATOM 0 HA THR A 80 -21.019 2.533 -0.484 1.00 0.00 H new ATOM 0 HB THR A 80 -20.922 0.756 1.128 1.00 0.00 H new ATOM 0 HG1 THR A 80 -19.098 -0.751 1.035 1.00 0.00 H new ATOM 0 HG21 THR A 80 -20.866 -1.231 -0.345 1.00 0.00 H new ATOM 0 HG22 THR A 80 -21.754 0.131 -1.069 1.00 0.00 H new ATOM 0 HG23 THR A 80 -20.102 -0.244 -1.614 1.00 0.00 H new ATOM 1178 N ALA A 81 -20.230 3.051 2.056 1.00 0.00 N ATOM 1179 CA ALA A 81 -19.823 3.843 3.209 1.00 0.00 C ATOM 1180 C ALA A 81 -20.768 3.625 4.384 1.00 0.00 C ATOM 1181 O ALA A 81 -20.364 2.942 5.349 1.00 0.00 O ATOM 1182 CB ALA A 81 -19.766 5.318 2.842 1.00 0.00 C ATOM 1183 OXT ALA A 81 -21.907 4.137 4.331 1.00 0.00 O ATOM 0 H ALA A 81 -21.105 2.542 2.182 1.00 0.00 H new ATOM 0 HA ALA A 81 -18.828 3.516 3.511 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -19.461 5.898 3.713 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -19.046 5.465 2.037 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -20.751 5.649 2.513 1.00 0.00 H new TER 1189 ALA A 81