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 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 13 HIS : no HD1:sc= -1.21 K(o=-1.2,f=-0.54) USER MOD Single : A 15 ASN : amide:sc= -5.76! C(o=-5.8!,f=-9.9!) USER MOD Single : A 24 ASN : amide:sc= -0.241 X(o=-0.24,f=-0.055) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0555 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 150:sc= 0.3! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -10:sc= 0.844! USER MOD Single : A 45 MET CE :methyl -172:sc= 0 (180deg=-0.0427) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -110:sc= 0.642 (180deg=-0.0305) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0254) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.0991 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -13.541 4.366 -11.950 1.00 0.00 N ATOM 2 CA ALA A 1 -13.901 2.940 -11.737 1.00 0.00 C ATOM 3 C ALA A 1 -12.752 2.177 -11.086 1.00 0.00 C ATOM 4 O ALA A 1 -11.671 2.054 -11.662 1.00 0.00 O ATOM 5 CB ALA A 1 -14.285 2.290 -13.057 1.00 0.00 C ATOM 0 H1 ALA A 1 -14.339 4.863 -12.394 1.00 0.00 H new ATOM 0 H2 ALA A 1 -13.323 4.809 -11.035 1.00 0.00 H new ATOM 0 H3 ALA A 1 -12.708 4.425 -12.570 1.00 0.00 H new ATOM 0 HA ALA A 1 -14.757 2.903 -11.063 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -14.546 1.246 -12.886 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -15.141 2.813 -13.485 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -13.444 2.345 -13.748 1.00 0.00 H new ATOM 13 N LEU A 2 -12.994 1.663 -9.885 1.00 0.00 N ATOM 14 CA LEU A 2 -11.980 0.909 -9.157 1.00 0.00 C ATOM 15 C LEU A 2 -10.714 1.738 -8.970 1.00 0.00 C ATOM 16 O LEU A 2 -10.609 2.855 -9.475 1.00 0.00 O ATOM 17 CB LEU A 2 -11.651 -0.390 -9.896 1.00 0.00 C ATOM 18 CG LEU A 2 -12.687 -1.504 -9.737 1.00 0.00 C ATOM 19 CD1 LEU A 2 -13.047 -2.096 -11.092 1.00 0.00 C ATOM 20 CD2 LEU A 2 -12.167 -2.586 -8.803 1.00 0.00 C ATOM 0 H LEU A 2 -13.884 1.755 -9.395 1.00 0.00 H new ATOM 0 HA LEU A 2 -12.381 0.666 -8.173 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -11.538 -0.168 -10.957 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -10.687 -0.757 -9.543 1.00 0.00 H new ATOM 0 HG LEU A 2 -13.588 -1.075 -9.299 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -13.785 -2.887 -10.959 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -13.462 -1.316 -11.731 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -12.152 -2.509 -11.558 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -12.917 -3.370 -8.702 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -11.251 -3.011 -9.213 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -11.960 -2.153 -7.824 1.00 0.00 H new ATOM 32 N VAL A 3 -9.756 1.183 -8.236 1.00 0.00 N ATOM 33 CA VAL A 3 -8.497 1.869 -7.975 1.00 0.00 C ATOM 34 C VAL A 3 -7.368 0.866 -7.735 1.00 0.00 C ATOM 35 O VAL A 3 -7.610 -0.296 -7.414 1.00 0.00 O ATOM 36 CB VAL A 3 -8.634 2.830 -6.762 1.00 0.00 C ATOM 37 CG1 VAL A 3 -7.281 3.150 -6.126 1.00 0.00 C ATOM 38 CG2 VAL A 3 -9.340 4.109 -7.183 1.00 0.00 C ATOM 0 H VAL A 3 -9.828 0.259 -7.811 1.00 0.00 H new ATOM 0 HA VAL A 3 -8.249 2.460 -8.857 1.00 0.00 H new ATOM 0 HB VAL A 3 -9.233 2.321 -6.007 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.426 3.825 -5.282 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.816 2.228 -5.777 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.635 3.626 -6.864 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -9.430 4.774 -6.324 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -8.763 4.602 -7.965 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -10.334 3.869 -7.561 1.00 0.00 H new ATOM 48 N GLU A 4 -6.133 1.336 -7.885 1.00 0.00 N ATOM 49 CA GLU A 4 -4.958 0.497 -7.680 1.00 0.00 C ATOM 50 C GLU A 4 -3.874 1.265 -6.930 1.00 0.00 C ATOM 51 O GLU A 4 -3.252 2.174 -7.479 1.00 0.00 O ATOM 52 CB GLU A 4 -4.415 0.007 -9.023 1.00 0.00 C ATOM 53 CG GLU A 4 -5.494 -0.498 -9.968 1.00 0.00 C ATOM 54 CD GLU A 4 -6.087 0.607 -10.819 1.00 0.00 C ATOM 55 OE1 GLU A 4 -5.894 1.792 -10.475 1.00 0.00 O ATOM 56 OE2 GLU A 4 -6.746 0.287 -11.832 1.00 0.00 O ATOM 0 H GLU A 4 -5.920 2.298 -8.149 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.253 -0.365 -7.081 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.873 0.821 -9.505 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.696 -0.793 -8.845 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -5.073 -1.265 -10.617 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.287 -0.971 -9.389 1.00 0.00 H new ATOM 63 N LEU A 5 -3.653 0.895 -5.672 1.00 0.00 N ATOM 64 CA LEU A 5 -2.643 1.555 -4.850 1.00 0.00 C ATOM 65 C LEU A 5 -1.241 1.249 -5.367 1.00 0.00 C ATOM 66 O LEU A 5 -1.074 0.485 -6.317 1.00 0.00 O ATOM 67 CB LEU A 5 -2.773 1.115 -3.388 1.00 0.00 C ATOM 68 CG LEU A 5 -3.094 2.238 -2.396 1.00 0.00 C ATOM 69 CD1 LEU A 5 -1.873 3.113 -2.164 1.00 0.00 C ATOM 70 CD2 LEU A 5 -4.266 3.075 -2.890 1.00 0.00 C ATOM 0 H LEU A 5 -4.158 0.144 -5.201 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.806 2.631 -4.910 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -3.554 0.358 -3.321 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.841 0.639 -3.084 1.00 0.00 H new ATOM 0 HG LEU A 5 -3.376 1.783 -1.446 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -2.122 3.904 -1.457 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.062 2.507 -1.760 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -1.558 3.556 -3.109 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -4.477 3.866 -2.171 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.016 3.518 -3.854 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.146 2.441 -3.000 1.00 0.00 H new ATOM 82 N LYS A 6 -0.238 1.854 -4.740 1.00 0.00 N ATOM 83 CA LYS A 6 1.146 1.646 -5.146 1.00 0.00 C ATOM 84 C LYS A 6 2.110 1.967 -4.011 1.00 0.00 C ATOM 85 O LYS A 6 1.751 2.637 -3.043 1.00 0.00 O ATOM 86 CB LYS A 6 1.471 2.511 -6.363 1.00 0.00 C ATOM 87 CG LYS A 6 0.990 1.919 -7.676 1.00 0.00 C ATOM 88 CD LYS A 6 -0.237 2.647 -8.198 1.00 0.00 C ATOM 89 CE LYS A 6 -0.740 2.035 -9.496 1.00 0.00 C ATOM 90 NZ LYS A 6 -0.412 2.883 -10.675 1.00 0.00 N ATOM 0 H LYS A 6 -0.357 2.490 -3.952 1.00 0.00 H new ATOM 0 HA LYS A 6 1.265 0.594 -5.406 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.019 3.494 -6.230 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.550 2.660 -6.415 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.789 1.974 -8.415 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.756 0.863 -7.537 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.028 2.613 -7.448 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.004 3.698 -8.360 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.299 1.047 -9.626 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.820 1.897 -9.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.772 2.430 -11.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.854 3.818 -10.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.620 2.994 -10.747 1.00 0.00 H new ATOM 104 N VAL A 7 3.338 1.484 -4.147 1.00 0.00 N ATOM 105 CA VAL A 7 4.375 1.710 -3.150 1.00 0.00 C ATOM 106 C VAL A 7 4.499 3.199 -2.830 1.00 0.00 C ATOM 107 O VAL A 7 4.262 4.041 -3.694 1.00 0.00 O ATOM 108 CB VAL A 7 5.727 1.164 -3.647 1.00 0.00 C ATOM 109 CG1 VAL A 7 6.831 1.443 -2.644 1.00 0.00 C ATOM 110 CG2 VAL A 7 5.614 -0.324 -3.940 1.00 0.00 C ATOM 0 H VAL A 7 3.642 0.928 -4.946 1.00 0.00 H new ATOM 0 HA VAL A 7 4.094 1.180 -2.240 1.00 0.00 H new ATOM 0 HB VAL A 7 5.989 1.678 -4.571 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.774 1.047 -3.021 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.924 2.519 -2.495 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.590 0.964 -1.695 1.00 0.00 H new ATOM 0 HG21 VAL A 7 6.575 -0.700 -4.291 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.327 -0.853 -3.031 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.858 -0.487 -4.709 1.00 0.00 H new ATOM 120 N PRO A 8 4.859 3.551 -1.580 1.00 0.00 N ATOM 121 CA PRO A 8 4.988 4.952 -1.173 1.00 0.00 C ATOM 122 C PRO A 8 6.136 5.663 -1.874 1.00 0.00 C ATOM 123 O PRO A 8 6.573 5.260 -2.953 1.00 0.00 O ATOM 124 CB PRO A 8 5.262 4.886 0.333 1.00 0.00 C ATOM 125 CG PRO A 8 4.927 3.489 0.745 1.00 0.00 C ATOM 126 CD PRO A 8 5.153 2.632 -0.468 1.00 0.00 C ATOM 0 HA PRO A 8 4.092 5.516 -1.432 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.304 5.119 0.552 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.653 5.610 0.874 1.00 0.00 H new ATOM 0 HG2 PRO A 8 5.557 3.165 1.574 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.893 3.420 1.084 1.00 0.00 H new ATOM 0 HD2 PRO A 8 6.176 2.258 -0.513 1.00 0.00 H new ATOM 0 HD3 PRO A 8 4.495 1.763 -0.477 1.00 0.00 H new ATOM 134 N ASP A 9 6.615 6.726 -1.244 1.00 0.00 N ATOM 135 CA ASP A 9 7.710 7.515 -1.779 1.00 0.00 C ATOM 136 C ASP A 9 8.876 7.532 -0.799 1.00 0.00 C ATOM 137 O ASP A 9 9.358 8.593 -0.405 1.00 0.00 O ATOM 138 CB ASP A 9 7.230 8.938 -2.045 1.00 0.00 C ATOM 139 CG ASP A 9 8.339 9.845 -2.541 1.00 0.00 C ATOM 140 OD1 ASP A 9 9.415 9.326 -2.902 1.00 0.00 O ATOM 141 OD2 ASP A 9 8.129 11.077 -2.571 1.00 0.00 O ATOM 0 H ASP A 9 6.256 7.063 -0.351 1.00 0.00 H new ATOM 0 HA ASP A 9 8.049 7.068 -2.714 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.428 8.915 -2.782 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.809 9.353 -1.129 1.00 0.00 H new ATOM 146 N ILE A 10 9.314 6.343 -0.399 1.00 0.00 N ATOM 147 CA ILE A 10 10.412 6.210 0.552 1.00 0.00 C ATOM 148 C ILE A 10 11.590 7.117 0.195 1.00 0.00 C ATOM 149 O ILE A 10 12.369 7.502 1.065 1.00 0.00 O ATOM 150 CB ILE A 10 10.907 4.748 0.670 1.00 0.00 C ATOM 151 CG1 ILE A 10 10.736 3.985 -0.651 1.00 0.00 C ATOM 152 CG2 ILE A 10 10.161 4.032 1.788 1.00 0.00 C ATOM 153 CD1 ILE A 10 11.280 4.710 -1.862 1.00 0.00 C ATOM 0 H ILE A 10 8.925 5.456 -0.719 1.00 0.00 H new ATOM 0 HA ILE A 10 10.010 6.520 1.517 1.00 0.00 H new ATOM 0 HB ILE A 10 11.971 4.774 0.904 1.00 0.00 H new ATOM 0 HG12 ILE A 10 11.234 3.019 -0.566 1.00 0.00 H new ATOM 0 HG13 ILE A 10 9.676 3.785 -0.807 1.00 0.00 H new ATOM 0 HG21 ILE A 10 10.517 3.004 1.863 1.00 0.00 H new ATOM 0 HG22 ILE A 10 10.339 4.547 2.732 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.093 4.031 1.571 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.119 4.102 -2.753 1.00 0.00 H new ATOM 0 HD12 ILE A 10 10.766 5.664 -1.976 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.348 4.886 -1.731 1.00 0.00 H new ATOM 165 N GLY A 11 11.714 7.459 -1.085 1.00 0.00 N ATOM 166 CA GLY A 11 12.800 8.322 -1.518 1.00 0.00 C ATOM 167 C GLY A 11 14.061 7.553 -1.869 1.00 0.00 C ATOM 168 O GLY A 11 14.732 7.869 -2.852 1.00 0.00 O ATOM 0 H GLY A 11 11.084 7.155 -1.828 1.00 0.00 H new ATOM 0 HA2 GLY A 11 12.477 8.896 -2.386 1.00 0.00 H new ATOM 0 HA3 GLY A 11 13.025 9.038 -0.728 1.00 0.00 H new ATOM 172 N GLY A 12 14.387 6.544 -1.066 1.00 0.00 N ATOM 173 CA GLY A 12 15.578 5.751 -1.314 1.00 0.00 C ATOM 174 C GLY A 12 15.695 5.307 -2.760 1.00 0.00 C ATOM 175 O GLY A 12 16.294 6.002 -3.582 1.00 0.00 O ATOM 0 H GLY A 12 13.847 6.261 -0.248 1.00 0.00 H new ATOM 0 HA2 GLY A 12 16.459 6.333 -1.044 1.00 0.00 H new ATOM 0 HA3 GLY A 12 15.566 4.873 -0.668 1.00 0.00 H new ATOM 179 N HIS A 13 15.126 4.147 -3.069 1.00 0.00 N ATOM 180 CA HIS A 13 15.174 3.612 -4.426 1.00 0.00 C ATOM 181 C HIS A 13 14.243 2.413 -4.569 1.00 0.00 C ATOM 182 O HIS A 13 13.472 2.100 -3.662 1.00 0.00 O ATOM 183 CB HIS A 13 16.603 3.204 -4.783 1.00 0.00 C ATOM 184 CG HIS A 13 17.144 2.106 -3.920 1.00 0.00 C ATOM 185 ND1 HIS A 13 17.606 2.315 -2.637 1.00 0.00 N ATOM 186 CD2 HIS A 13 17.293 0.781 -4.160 1.00 0.00 C ATOM 187 CE1 HIS A 13 18.015 1.166 -2.127 1.00 0.00 C ATOM 188 NE2 HIS A 13 17.835 0.221 -3.030 1.00 0.00 N ATOM 0 H HIS A 13 14.627 3.560 -2.401 1.00 0.00 H new ATOM 0 HA HIS A 13 14.843 4.393 -5.111 1.00 0.00 H new ATOM 0 HB2 HIS A 13 16.632 2.884 -5.825 1.00 0.00 H new ATOM 0 HB3 HIS A 13 17.253 4.075 -4.699 1.00 0.00 H new ATOM 0 HD2 HIS A 13 17.034 0.262 -5.071 1.00 0.00 H new ATOM 0 HE1 HIS A 13 18.427 1.025 -1.139 1.00 0.00 H new ATOM 0 HE2 HIS A 13 18.062 -0.766 -2.908 1.00 0.00 H new ATOM 197 N GLU A 14 14.325 1.744 -5.714 1.00 0.00 N ATOM 198 CA GLU A 14 13.494 0.576 -5.975 1.00 0.00 C ATOM 199 C GLU A 14 13.885 -0.581 -5.062 1.00 0.00 C ATOM 200 O GLU A 14 14.836 -0.478 -4.288 1.00 0.00 O ATOM 201 CB GLU A 14 13.619 0.153 -7.440 1.00 0.00 C ATOM 202 CG GLU A 14 15.058 0.013 -7.910 1.00 0.00 C ATOM 203 CD GLU A 14 15.251 -1.156 -8.855 1.00 0.00 C ATOM 204 OE1 GLU A 14 14.249 -1.617 -9.442 1.00 0.00 O ATOM 205 OE2 GLU A 14 16.404 -1.610 -9.009 1.00 0.00 O ATOM 0 H GLU A 14 14.958 1.991 -6.475 1.00 0.00 H new ATOM 0 HA GLU A 14 12.457 0.843 -5.770 1.00 0.00 H new ATOM 0 HB2 GLU A 14 13.105 -0.798 -7.580 1.00 0.00 H new ATOM 0 HB3 GLU A 14 13.110 0.886 -8.066 1.00 0.00 H new ATOM 0 HG2 GLU A 14 15.365 0.933 -8.408 1.00 0.00 H new ATOM 0 HG3 GLU A 14 15.708 -0.113 -7.044 1.00 0.00 H new ATOM 212 N ASN A 15 13.142 -1.679 -5.159 1.00 0.00 N ATOM 213 CA ASN A 15 13.402 -2.864 -4.342 1.00 0.00 C ATOM 214 C ASN A 15 13.682 -2.487 -2.889 1.00 0.00 C ATOM 215 O ASN A 15 14.831 -2.461 -2.453 1.00 0.00 O ATOM 216 CB ASN A 15 14.577 -3.663 -4.913 1.00 0.00 C ATOM 217 CG ASN A 15 15.810 -2.809 -5.138 1.00 0.00 C ATOM 218 OD1 ASN A 15 15.935 -2.135 -6.160 1.00 0.00 O ATOM 219 ND2 ASN A 15 16.730 -2.836 -4.180 1.00 0.00 N ATOM 0 H ASN A 15 12.352 -1.775 -5.797 1.00 0.00 H new ATOM 0 HA ASN A 15 12.506 -3.484 -4.365 1.00 0.00 H new ATOM 0 HB2 ASN A 15 14.823 -4.477 -4.231 1.00 0.00 H new ATOM 0 HB3 ASN A 15 14.277 -4.118 -5.857 1.00 0.00 H new ATOM 0 HD21 ASN A 15 17.582 -2.283 -4.275 1.00 0.00 H new ATOM 0 HD22 ASN A 15 16.584 -3.410 -3.349 1.00 0.00 H new ATOM 226 N VAL A 16 12.618 -2.200 -2.146 1.00 0.00 N ATOM 227 CA VAL A 16 12.736 -1.829 -0.743 1.00 0.00 C ATOM 228 C VAL A 16 11.929 -2.777 0.133 1.00 0.00 C ATOM 229 O VAL A 16 11.030 -3.465 -0.348 1.00 0.00 O ATOM 230 CB VAL A 16 12.256 -0.388 -0.493 1.00 0.00 C ATOM 231 CG1 VAL A 16 13.085 0.602 -1.295 1.00 0.00 C ATOM 232 CG2 VAL A 16 10.778 -0.252 -0.826 1.00 0.00 C ATOM 0 H VAL A 16 11.660 -2.218 -2.496 1.00 0.00 H new ATOM 0 HA VAL A 16 13.793 -1.896 -0.485 1.00 0.00 H new ATOM 0 HB VAL A 16 12.389 -0.161 0.565 1.00 0.00 H new ATOM 0 HG11 VAL A 16 12.729 1.614 -1.103 1.00 0.00 H new ATOM 0 HG12 VAL A 16 14.131 0.524 -1.000 1.00 0.00 H new ATOM 0 HG13 VAL A 16 12.990 0.379 -2.358 1.00 0.00 H new ATOM 0 HG21 VAL A 16 10.457 0.773 -0.643 1.00 0.00 H new ATOM 0 HG22 VAL A 16 10.617 -0.501 -1.875 1.00 0.00 H new ATOM 0 HG23 VAL A 16 10.200 -0.931 -0.199 1.00 0.00 H new ATOM 242 N ASP A 17 12.255 -2.811 1.417 1.00 0.00 N ATOM 243 CA ASP A 17 11.557 -3.680 2.354 1.00 0.00 C ATOM 244 C ASP A 17 10.457 -2.927 3.091 1.00 0.00 C ATOM 245 O ASP A 17 10.727 -1.971 3.822 1.00 0.00 O ATOM 246 CB ASP A 17 12.544 -4.274 3.361 1.00 0.00 C ATOM 247 CG ASP A 17 12.706 -5.772 3.199 1.00 0.00 C ATOM 248 OD1 ASP A 17 13.230 -6.202 2.150 1.00 0.00 O ATOM 249 OD2 ASP A 17 12.309 -6.516 4.120 1.00 0.00 O ATOM 0 H ASP A 17 12.997 -2.248 1.833 1.00 0.00 H new ATOM 0 HA ASP A 17 11.096 -4.486 1.783 1.00 0.00 H new ATOM 0 HB2 ASP A 17 13.514 -3.792 3.242 1.00 0.00 H new ATOM 0 HB3 ASP A 17 12.202 -4.056 4.373 1.00 0.00 H new ATOM 254 N ILE A 18 9.216 -3.367 2.906 1.00 0.00 N ATOM 255 CA ILE A 18 8.088 -2.741 3.569 1.00 0.00 C ATOM 256 C ILE A 18 8.261 -2.832 5.077 1.00 0.00 C ATOM 257 O ILE A 18 9.063 -3.625 5.569 1.00 0.00 O ATOM 258 CB ILE A 18 6.759 -3.406 3.149 1.00 0.00 C ATOM 259 CG1 ILE A 18 6.491 -3.125 1.674 1.00 0.00 C ATOM 260 CG2 ILE A 18 5.600 -2.910 4.004 1.00 0.00 C ATOM 261 CD1 ILE A 18 5.862 -4.289 0.938 1.00 0.00 C ATOM 0 H ILE A 18 8.971 -4.153 2.303 1.00 0.00 H new ATOM 0 HA ILE A 18 8.053 -1.693 3.271 1.00 0.00 H new ATOM 0 HB ILE A 18 6.846 -4.482 3.302 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.836 -2.258 1.592 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.430 -2.863 1.187 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.678 -3.396 3.685 1.00 0.00 H new ATOM 0 HG22 ILE A 18 5.792 -3.148 5.050 1.00 0.00 H new ATOM 0 HG23 ILE A 18 5.499 -1.831 3.890 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.701 -4.016 -0.105 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.525 -5.153 0.989 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.906 -4.538 1.400 1.00 0.00 H new ATOM 273 N ILE A 19 7.519 -2.015 5.809 1.00 0.00 N ATOM 274 CA ILE A 19 7.627 -2.024 7.264 1.00 0.00 C ATOM 275 C ILE A 19 6.279 -2.336 7.915 1.00 0.00 C ATOM 276 O ILE A 19 6.205 -3.091 8.885 1.00 0.00 O ATOM 277 CB ILE A 19 8.228 -0.683 7.815 1.00 0.00 C ATOM 278 CG1 ILE A 19 7.160 0.225 8.443 1.00 0.00 C ATOM 279 CG2 ILE A 19 8.965 0.073 6.713 1.00 0.00 C ATOM 280 CD1 ILE A 19 7.727 1.481 9.070 1.00 0.00 C ATOM 0 H ILE A 19 6.847 -1.348 5.431 1.00 0.00 H new ATOM 0 HA ILE A 19 8.322 -2.820 7.531 1.00 0.00 H new ATOM 0 HB ILE A 19 8.932 -0.957 8.601 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.437 0.505 7.677 1.00 0.00 H new ATOM 0 HG13 ILE A 19 6.617 -0.338 9.203 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.373 0.999 7.118 1.00 0.00 H new ATOM 0 HG22 ILE A 19 9.777 -0.544 6.329 1.00 0.00 H new ATOM 0 HG23 ILE A 19 8.272 0.305 5.904 1.00 0.00 H new ATOM 0 HD11 ILE A 19 6.916 2.074 9.494 1.00 0.00 H new ATOM 0 HD12 ILE A 19 8.428 1.209 9.859 1.00 0.00 H new ATOM 0 HD13 ILE A 19 8.245 2.065 8.310 1.00 0.00 H new ATOM 292 N ALA A 20 5.220 -1.743 7.379 1.00 0.00 N ATOM 293 CA ALA A 20 3.880 -1.948 7.912 1.00 0.00 C ATOM 294 C ALA A 20 2.983 -2.649 6.902 1.00 0.00 C ATOM 295 O ALA A 20 3.298 -2.714 5.713 1.00 0.00 O ATOM 296 CB ALA A 20 3.275 -0.615 8.314 1.00 0.00 C ATOM 0 H ALA A 20 5.263 -1.116 6.575 1.00 0.00 H new ATOM 0 HA ALA A 20 3.958 -2.589 8.790 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.273 -0.775 8.712 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.898 -0.148 9.077 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.219 0.037 7.442 1.00 0.00 H new ATOM 302 N VAL A 21 1.860 -3.171 7.384 1.00 0.00 N ATOM 303 CA VAL A 21 0.909 -3.862 6.525 1.00 0.00 C ATOM 304 C VAL A 21 -0.523 -3.619 6.987 1.00 0.00 C ATOM 305 O VAL A 21 -0.811 -3.636 8.184 1.00 0.00 O ATOM 306 CB VAL A 21 1.173 -5.378 6.496 1.00 0.00 C ATOM 307 CG1 VAL A 21 0.274 -6.059 5.477 1.00 0.00 C ATOM 308 CG2 VAL A 21 2.636 -5.660 6.198 1.00 0.00 C ATOM 0 H VAL A 21 1.587 -3.128 8.366 1.00 0.00 H new ATOM 0 HA VAL A 21 1.041 -3.459 5.521 1.00 0.00 H new ATOM 0 HB VAL A 21 0.941 -5.786 7.480 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.476 -7.130 5.472 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.770 -5.888 5.741 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.470 -5.648 4.487 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.803 -6.737 6.182 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.898 -5.237 5.228 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.258 -5.208 6.970 1.00 0.00 H new ATOM 318 N GLU A 22 -1.420 -3.392 6.032 1.00 0.00 N ATOM 319 CA GLU A 22 -2.822 -3.146 6.347 1.00 0.00 C ATOM 320 C GLU A 22 -3.710 -3.419 5.137 1.00 0.00 C ATOM 321 O GLU A 22 -4.642 -2.665 4.857 1.00 0.00 O ATOM 322 CB GLU A 22 -3.013 -1.707 6.826 1.00 0.00 C ATOM 323 CG GLU A 22 -2.519 -1.470 8.242 1.00 0.00 C ATOM 324 CD GLU A 22 -3.299 -0.386 8.959 1.00 0.00 C ATOM 325 OE1 GLU A 22 -4.547 -0.439 8.935 1.00 0.00 O ATOM 326 OE2 GLU A 22 -2.664 0.516 9.545 1.00 0.00 O ATOM 0 H GLU A 22 -1.201 -3.373 5.036 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.114 -3.828 7.146 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.487 -1.034 6.149 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.071 -1.452 6.771 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.591 -2.399 8.808 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.465 -1.195 8.214 1.00 0.00 H new ATOM 333 N VAL A 23 -3.416 -4.501 4.426 1.00 0.00 N ATOM 334 CA VAL A 23 -4.190 -4.875 3.248 1.00 0.00 C ATOM 335 C VAL A 23 -4.375 -6.386 3.169 1.00 0.00 C ATOM 336 O VAL A 23 -3.410 -7.135 3.026 1.00 0.00 O ATOM 337 CB VAL A 23 -3.517 -4.382 1.954 1.00 0.00 C ATOM 338 CG1 VAL A 23 -3.798 -2.904 1.733 1.00 0.00 C ATOM 339 CG2 VAL A 23 -2.020 -4.650 1.995 1.00 0.00 C ATOM 0 H VAL A 23 -2.647 -5.135 4.644 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.165 -4.397 3.345 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.938 -4.935 1.114 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.314 -2.575 0.814 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.874 -2.746 1.653 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.408 -2.330 2.574 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.561 -4.295 1.072 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.580 -4.127 2.844 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.845 -5.721 2.099 1.00 0.00 H new ATOM 349 N ASN A 24 -5.625 -6.826 3.262 1.00 0.00 N ATOM 350 CA ASN A 24 -5.945 -8.248 3.201 1.00 0.00 C ATOM 351 C ASN A 24 -7.141 -8.510 2.288 1.00 0.00 C ATOM 352 O ASN A 24 -7.718 -9.597 2.304 1.00 0.00 O ATOM 353 CB ASN A 24 -6.247 -8.776 4.601 1.00 0.00 C ATOM 354 CG ASN A 24 -5.009 -9.290 5.308 1.00 0.00 C ATOM 355 OD1 ASN A 24 -4.712 -8.892 6.434 1.00 0.00 O ATOM 356 ND2 ASN A 24 -4.277 -10.181 4.648 1.00 0.00 N ATOM 0 H ASN A 24 -6.435 -6.217 3.380 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.079 -8.768 2.790 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -6.697 -7.981 5.196 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -6.982 -9.578 4.532 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.432 -10.563 5.073 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -4.560 -10.484 3.716 1.00 0.00 H new ATOM 363 N VAL A 25 -7.510 -7.510 1.494 1.00 0.00 N ATOM 364 CA VAL A 25 -8.636 -7.638 0.579 1.00 0.00 C ATOM 365 C VAL A 25 -9.939 -7.871 1.340 1.00 0.00 C ATOM 366 O VAL A 25 -10.047 -8.806 2.134 1.00 0.00 O ATOM 367 CB VAL A 25 -8.410 -8.794 -0.414 1.00 0.00 C ATOM 368 CG1 VAL A 25 -9.619 -8.975 -1.323 1.00 0.00 C ATOM 369 CG2 VAL A 25 -7.151 -8.554 -1.233 1.00 0.00 C ATOM 0 H VAL A 25 -7.045 -6.603 1.467 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.712 -6.702 0.025 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.279 -9.713 0.157 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.434 -9.797 -2.015 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.498 -9.200 -0.719 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.791 -8.058 -1.887 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.007 -9.380 -1.929 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.252 -7.623 -1.791 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.291 -8.487 -0.567 1.00 0.00 H new ATOM 379 N GLY A 26 -10.926 -7.016 1.090 1.00 0.00 N ATOM 380 CA GLY A 26 -12.209 -7.147 1.757 1.00 0.00 C ATOM 381 C GLY A 26 -12.473 -6.019 2.736 1.00 0.00 C ATOM 382 O GLY A 26 -13.624 -5.726 3.058 1.00 0.00 O ATOM 0 H GLY A 26 -10.860 -6.235 0.437 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -13.003 -7.169 1.010 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.244 -8.099 2.287 1.00 0.00 H new ATOM 386 N ASP A 27 -11.405 -5.386 3.209 1.00 0.00 N ATOM 387 CA ASP A 27 -11.526 -4.286 4.160 1.00 0.00 C ATOM 388 C ASP A 27 -12.027 -3.020 3.471 1.00 0.00 C ATOM 389 O ASP A 27 -11.603 -2.695 2.362 1.00 0.00 O ATOM 390 CB ASP A 27 -10.178 -4.016 4.830 1.00 0.00 C ATOM 391 CG ASP A 27 -10.035 -4.741 6.154 1.00 0.00 C ATOM 392 OD1 ASP A 27 -11.029 -4.800 6.908 1.00 0.00 O ATOM 393 OD2 ASP A 27 -8.930 -5.250 6.437 1.00 0.00 O ATOM 0 H ASP A 27 -10.446 -5.615 2.950 1.00 0.00 H new ATOM 0 HA ASP A 27 -12.252 -4.574 4.920 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -9.375 -4.325 4.161 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.064 -2.944 4.992 1.00 0.00 H new ATOM 398 N THR A 28 -12.929 -2.307 4.139 1.00 0.00 N ATOM 399 CA THR A 28 -13.486 -1.076 3.595 1.00 0.00 C ATOM 400 C THR A 28 -12.465 0.054 3.658 1.00 0.00 C ATOM 401 O THR A 28 -12.217 0.622 4.723 1.00 0.00 O ATOM 402 CB THR A 28 -14.752 -0.683 4.360 1.00 0.00 C ATOM 403 OG1 THR A 28 -15.736 -1.694 4.251 1.00 0.00 O ATOM 404 CG2 THR A 28 -15.368 0.612 3.876 1.00 0.00 C ATOM 0 H THR A 28 -13.289 -2.562 5.059 1.00 0.00 H new ATOM 0 HA THR A 28 -13.743 -1.251 2.550 1.00 0.00 H new ATOM 0 HB THR A 28 -14.435 -0.550 5.394 1.00 0.00 H new ATOM 0 HG1 THR A 28 -16.537 -1.426 4.748 1.00 0.00 H new ATOM 0 HG21 THR A 28 -16.261 0.831 4.461 1.00 0.00 H new ATOM 0 HG22 THR A 28 -14.649 1.423 3.994 1.00 0.00 H new ATOM 0 HG23 THR A 28 -15.638 0.516 2.824 1.00 0.00 H new ATOM 412 N ILE A 29 -11.870 0.374 2.513 1.00 0.00 N ATOM 413 CA ILE A 29 -10.872 1.433 2.442 1.00 0.00 C ATOM 414 C ILE A 29 -11.523 2.809 2.479 1.00 0.00 C ATOM 415 O ILE A 29 -12.638 2.996 1.991 1.00 0.00 O ATOM 416 CB ILE A 29 -10.011 1.315 1.170 1.00 0.00 C ATOM 417 CG1 ILE A 29 -10.899 1.309 -0.076 1.00 0.00 C ATOM 418 CG2 ILE A 29 -9.164 0.057 1.226 1.00 0.00 C ATOM 419 CD1 ILE A 29 -10.283 2.000 -1.277 1.00 0.00 C ATOM 0 H ILE A 29 -12.062 -0.085 1.623 1.00 0.00 H new ATOM 0 HA ILE A 29 -10.230 1.317 3.315 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.348 2.178 1.115 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -11.127 0.277 -0.342 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -11.846 1.794 0.163 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.560 -0.015 0.322 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.510 0.097 2.097 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -9.813 -0.816 1.300 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.974 1.952 -2.118 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.080 3.043 -1.032 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.351 1.502 -1.545 1.00 0.00 H new ATOM 431 N ALA A 30 -10.816 3.769 3.063 1.00 0.00 N ATOM 432 CA ALA A 30 -11.313 5.134 3.169 1.00 0.00 C ATOM 433 C ALA A 30 -10.283 6.125 2.641 1.00 0.00 C ATOM 434 O ALA A 30 -9.253 5.732 2.092 1.00 0.00 O ATOM 435 CB ALA A 30 -11.666 5.456 4.613 1.00 0.00 C ATOM 0 H ALA A 30 -9.893 3.626 3.472 1.00 0.00 H new ATOM 0 HA ALA A 30 -12.214 5.220 2.561 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -12.036 6.479 4.678 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -12.437 4.769 4.961 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.778 5.351 5.237 1.00 0.00 H new ATOM 441 N VAL A 31 -10.561 7.411 2.811 1.00 0.00 N ATOM 442 CA VAL A 31 -9.653 8.448 2.354 1.00 0.00 C ATOM 443 C VAL A 31 -8.718 8.886 3.475 1.00 0.00 C ATOM 444 O VAL A 31 -8.412 10.070 3.618 1.00 0.00 O ATOM 445 CB VAL A 31 -10.420 9.671 1.822 1.00 0.00 C ATOM 446 CG1 VAL A 31 -10.891 9.423 0.398 1.00 0.00 C ATOM 447 CG2 VAL A 31 -11.593 10.010 2.730 1.00 0.00 C ATOM 0 H VAL A 31 -11.408 7.758 3.262 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.064 8.023 1.541 1.00 0.00 H new ATOM 0 HB VAL A 31 -9.743 10.526 1.815 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -11.432 10.297 0.036 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -10.029 9.238 -0.243 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -11.550 8.555 0.379 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -12.121 10.878 2.334 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -12.275 9.161 2.776 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -11.225 10.235 3.731 1.00 0.00 H new ATOM 457 N ASP A 32 -8.268 7.917 4.269 1.00 0.00 N ATOM 458 CA ASP A 32 -7.368 8.190 5.382 1.00 0.00 C ATOM 459 C ASP A 32 -7.165 6.938 6.230 1.00 0.00 C ATOM 460 O ASP A 32 -7.551 6.899 7.399 1.00 0.00 O ATOM 461 CB ASP A 32 -7.921 9.323 6.250 1.00 0.00 C ATOM 462 CG ASP A 32 -9.423 9.226 6.436 1.00 0.00 C ATOM 463 OD1 ASP A 32 -9.861 8.508 7.360 1.00 0.00 O ATOM 464 OD2 ASP A 32 -10.161 9.869 5.660 1.00 0.00 O ATOM 0 H ASP A 32 -8.514 6.933 4.160 1.00 0.00 H new ATOM 0 HA ASP A 32 -6.405 8.495 4.973 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -7.434 9.301 7.225 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.675 10.281 5.792 1.00 0.00 H new ATOM 469 N ASP A 33 -6.559 5.915 5.634 1.00 0.00 N ATOM 470 CA ASP A 33 -6.308 4.662 6.337 1.00 0.00 C ATOM 471 C ASP A 33 -4.924 4.123 6.000 1.00 0.00 C ATOM 472 O ASP A 33 -4.717 3.541 4.936 1.00 0.00 O ATOM 473 CB ASP A 33 -7.374 3.625 5.974 1.00 0.00 C ATOM 474 CG ASP A 33 -7.755 3.679 4.508 1.00 0.00 C ATOM 475 OD1 ASP A 33 -8.306 4.712 4.076 1.00 0.00 O ATOM 476 OD2 ASP A 33 -7.503 2.687 3.792 1.00 0.00 O ATOM 0 H ASP A 33 -6.233 5.929 4.667 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.354 4.858 7.408 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -7.004 2.628 6.214 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.262 3.791 6.584 1.00 0.00 H new ATOM 481 N THR A 34 -3.975 4.322 6.909 1.00 0.00 N ATOM 482 CA THR A 34 -2.610 3.857 6.695 1.00 0.00 C ATOM 483 C THR A 34 -2.581 2.417 6.203 1.00 0.00 C ATOM 484 O THR A 34 -2.976 1.493 6.915 1.00 0.00 O ATOM 485 CB THR A 34 -1.786 3.980 7.965 1.00 0.00 C ATOM 486 OG1 THR A 34 -2.614 3.972 9.114 1.00 0.00 O ATOM 487 CG2 THR A 34 -0.941 5.233 8.005 1.00 0.00 C ATOM 0 H THR A 34 -4.125 4.800 7.797 1.00 0.00 H new ATOM 0 HA THR A 34 -2.173 4.494 5.926 1.00 0.00 H new ATOM 0 HB THR A 34 -1.123 3.115 7.963 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.059 4.051 9.918 1.00 0.00 H new ATOM 0 HG21 THR A 34 -0.377 5.262 8.937 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.250 5.233 7.162 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.586 6.109 7.945 1.00 0.00 H new ATOM 495 N LEU A 35 -2.094 2.239 4.985 1.00 0.00 N ATOM 496 CA LEU A 35 -1.988 0.920 4.384 1.00 0.00 C ATOM 497 C LEU A 35 -0.641 0.306 4.731 1.00 0.00 C ATOM 498 O LEU A 35 -0.540 -0.893 4.994 1.00 0.00 O ATOM 499 CB LEU A 35 -2.153 1.007 2.866 1.00 0.00 C ATOM 500 CG LEU A 35 -3.500 1.558 2.393 1.00 0.00 C ATOM 501 CD1 LEU A 35 -3.384 2.118 0.984 1.00 0.00 C ATOM 502 CD2 LEU A 35 -4.566 0.475 2.452 1.00 0.00 C ATOM 0 H LEU A 35 -1.764 2.999 4.390 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.783 0.288 4.780 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.359 1.636 2.465 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.016 0.012 2.443 1.00 0.00 H new ATOM 0 HG LEU A 35 -3.794 2.369 3.059 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.352 2.505 0.665 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.649 2.923 0.972 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.067 1.328 0.303 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.518 0.883 2.112 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.277 -0.356 1.808 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.668 0.121 3.478 1.00 0.00 H new ATOM 514 N ILE A 36 0.391 1.144 4.747 1.00 0.00 N ATOM 515 CA ILE A 36 1.738 0.691 5.081 1.00 0.00 C ATOM 516 C ILE A 36 2.644 1.855 5.460 1.00 0.00 C ATOM 517 O ILE A 36 2.231 3.014 5.437 1.00 0.00 O ATOM 518 CB ILE A 36 2.395 -0.102 3.928 1.00 0.00 C ATOM 519 CG1 ILE A 36 2.232 0.600 2.573 1.00 0.00 C ATOM 520 CG2 ILE A 36 1.805 -1.495 3.860 1.00 0.00 C ATOM 521 CD1 ILE A 36 2.376 2.106 2.615 1.00 0.00 C ATOM 0 H ILE A 36 0.321 2.139 4.533 1.00 0.00 H new ATOM 0 HA ILE A 36 1.623 0.028 5.938 1.00 0.00 H new ATOM 0 HB ILE A 36 3.463 -0.161 4.139 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.972 0.198 1.880 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.250 0.354 2.169 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.272 -2.049 3.046 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.986 -2.013 4.802 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.731 -1.427 3.684 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.245 2.512 1.612 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.619 2.526 3.278 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.368 2.367 2.985 1.00 0.00 H new ATOM 533 N THR A 37 3.888 1.534 5.792 1.00 0.00 N ATOM 534 CA THR A 37 4.870 2.546 6.158 1.00 0.00 C ATOM 535 C THR A 37 6.250 2.150 5.646 1.00 0.00 C ATOM 536 O THR A 37 7.220 2.086 6.399 1.00 0.00 O ATOM 537 CB THR A 37 4.892 2.753 7.676 1.00 0.00 C ATOM 538 OG1 THR A 37 3.603 3.095 8.157 1.00 0.00 O ATOM 539 CG2 THR A 37 5.847 3.840 8.116 1.00 0.00 C ATOM 0 H THR A 37 4.241 0.577 5.815 1.00 0.00 H new ATOM 0 HA THR A 37 4.587 3.490 5.693 1.00 0.00 H new ATOM 0 HB THR A 37 5.228 1.803 8.091 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.639 3.221 9.128 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.814 3.936 9.201 1.00 0.00 H new ATOM 0 HG22 THR A 37 6.859 3.583 7.805 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.556 4.786 7.660 1.00 0.00 H new ATOM 547 N LEU A 38 6.316 1.879 4.347 1.00 0.00 N ATOM 548 CA LEU A 38 7.557 1.475 3.684 1.00 0.00 C ATOM 549 C LEU A 38 8.773 2.225 4.226 1.00 0.00 C ATOM 550 O LEU A 38 8.656 3.339 4.736 1.00 0.00 O ATOM 551 CB LEU A 38 7.436 1.712 2.180 1.00 0.00 C ATOM 552 CG LEU A 38 8.410 0.919 1.316 1.00 0.00 C ATOM 553 CD1 LEU A 38 7.822 -0.438 0.967 1.00 0.00 C ATOM 554 CD2 LEU A 38 8.751 1.698 0.055 1.00 0.00 C ATOM 0 H LEU A 38 5.512 1.932 3.721 1.00 0.00 H new ATOM 0 HA LEU A 38 7.708 0.415 3.888 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.420 1.468 1.871 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.583 2.774 1.983 1.00 0.00 H new ATOM 0 HG LEU A 38 9.329 0.759 1.880 1.00 0.00 H new ATOM 0 HD11 LEU A 38 8.529 -0.993 0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.624 -0.995 1.883 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.891 -0.301 0.418 1.00 0.00 H new ATOM 0 HD21 LEU A 38 9.447 1.120 -0.553 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.841 1.885 -0.515 1.00 0.00 H new ATOM 0 HD23 LEU A 38 9.210 2.649 0.327 1.00 0.00 H new ATOM 566 N GLU A 39 9.943 1.600 4.104 1.00 0.00 N ATOM 567 CA GLU A 39 11.187 2.197 4.570 1.00 0.00 C ATOM 568 C GLU A 39 12.388 1.535 3.901 1.00 0.00 C ATOM 569 O GLU A 39 12.617 0.336 4.062 1.00 0.00 O ATOM 570 CB GLU A 39 11.299 2.069 6.088 1.00 0.00 C ATOM 571 CG GLU A 39 12.631 2.543 6.644 1.00 0.00 C ATOM 572 CD GLU A 39 13.691 1.458 6.625 1.00 0.00 C ATOM 573 OE1 GLU A 39 13.334 0.287 6.381 1.00 0.00 O ATOM 574 OE2 GLU A 39 14.875 1.781 6.853 1.00 0.00 O ATOM 0 H GLU A 39 10.052 0.677 3.684 1.00 0.00 H new ATOM 0 HA GLU A 39 11.180 3.253 4.302 1.00 0.00 H new ATOM 0 HB2 GLU A 39 10.497 2.642 6.552 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.149 1.026 6.368 1.00 0.00 H new ATOM 0 HG2 GLU A 39 12.980 3.397 6.063 1.00 0.00 H new ATOM 0 HG3 GLU A 39 12.490 2.890 7.668 1.00 0.00 H new ATOM 581 N THR A 40 13.149 2.320 3.145 1.00 0.00 N ATOM 582 CA THR A 40 14.323 1.806 2.447 1.00 0.00 C ATOM 583 C THR A 40 15.447 1.479 3.428 1.00 0.00 C ATOM 584 O THR A 40 15.590 0.337 3.862 1.00 0.00 O ATOM 585 CB THR A 40 14.806 2.819 1.404 1.00 0.00 C ATOM 586 OG1 THR A 40 15.273 4.003 2.027 1.00 0.00 O ATOM 587 CG2 THR A 40 13.731 3.218 0.419 1.00 0.00 C ATOM 0 H THR A 40 12.974 3.314 3.000 1.00 0.00 H new ATOM 0 HA THR A 40 14.038 0.884 1.940 1.00 0.00 H new ATOM 0 HB THR A 40 15.608 2.315 0.865 1.00 0.00 H new ATOM 0 HG1 THR A 40 15.976 4.407 1.477 1.00 0.00 H new ATOM 0 HG21 THR A 40 14.138 3.937 -0.292 1.00 0.00 H new ATOM 0 HG22 THR A 40 13.383 2.335 -0.117 1.00 0.00 H new ATOM 0 HG23 THR A 40 12.896 3.670 0.955 1.00 0.00 H new ATOM 595 N ASP A 41 16.239 2.489 3.774 1.00 0.00 N ATOM 596 CA ASP A 41 17.346 2.311 4.706 1.00 0.00 C ATOM 597 C ASP A 41 17.658 3.614 5.434 1.00 0.00 C ATOM 598 O ASP A 41 18.769 3.812 5.925 1.00 0.00 O ATOM 599 CB ASP A 41 18.590 1.817 3.965 1.00 0.00 C ATOM 600 CG ASP A 41 18.853 2.595 2.691 1.00 0.00 C ATOM 601 OD1 ASP A 41 18.235 3.666 2.511 1.00 0.00 O ATOM 602 OD2 ASP A 41 19.677 2.135 1.873 1.00 0.00 O ATOM 0 H ASP A 41 16.134 3.441 3.422 1.00 0.00 H new ATOM 0 HA ASP A 41 17.051 1.565 5.444 1.00 0.00 H new ATOM 0 HB2 ASP A 41 19.456 1.898 4.622 1.00 0.00 H new ATOM 0 HB3 ASP A 41 18.470 0.761 3.724 1.00 0.00 H new ATOM 607 N LYS A 42 16.668 4.501 5.502 1.00 0.00 N ATOM 608 CA LYS A 42 16.838 5.786 6.172 1.00 0.00 C ATOM 609 C LYS A 42 15.535 6.576 6.161 1.00 0.00 C ATOM 610 O LYS A 42 15.148 7.171 7.168 1.00 0.00 O ATOM 611 CB LYS A 42 17.944 6.597 5.494 1.00 0.00 C ATOM 612 CG LYS A 42 18.096 8.003 6.050 1.00 0.00 C ATOM 613 CD LYS A 42 18.248 7.990 7.563 1.00 0.00 C ATOM 614 CE LYS A 42 18.542 9.380 8.102 1.00 0.00 C ATOM 615 NZ LYS A 42 17.297 10.097 8.494 1.00 0.00 N ATOM 0 H LYS A 42 15.742 4.353 5.102 1.00 0.00 H new ATOM 0 HA LYS A 42 17.121 5.595 7.207 1.00 0.00 H new ATOM 0 HB2 LYS A 42 18.890 6.068 5.604 1.00 0.00 H new ATOM 0 HB3 LYS A 42 17.735 6.658 4.426 1.00 0.00 H new ATOM 0 HG2 LYS A 42 18.966 8.481 5.600 1.00 0.00 H new ATOM 0 HG3 LYS A 42 17.226 8.600 5.776 1.00 0.00 H new ATOM 0 HD2 LYS A 42 17.335 7.607 8.019 1.00 0.00 H new ATOM 0 HD3 LYS A 42 19.053 7.311 7.844 1.00 0.00 H new ATOM 0 HE2 LYS A 42 19.204 9.303 8.965 1.00 0.00 H new ATOM 0 HE3 LYS A 42 19.072 9.959 7.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 17.540 11.041 8.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 16.676 10.193 7.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 16.804 9.558 9.234 1.00 0.00 H new ATOM 629 N ALA A 43 14.861 6.577 5.016 1.00 0.00 N ATOM 630 CA ALA A 43 13.600 7.291 4.870 1.00 0.00 C ATOM 631 C ALA A 43 12.420 6.327 4.894 1.00 0.00 C ATOM 632 O ALA A 43 12.373 5.370 4.122 1.00 0.00 O ATOM 633 CB ALA A 43 13.597 8.100 3.581 1.00 0.00 C ATOM 0 H ALA A 43 15.169 6.090 4.174 1.00 0.00 H new ATOM 0 HA ALA A 43 13.497 7.973 5.714 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.648 8.628 3.485 1.00 0.00 H new ATOM 0 HB2 ALA A 43 14.414 8.822 3.602 1.00 0.00 H new ATOM 0 HB3 ALA A 43 13.727 7.430 2.731 1.00 0.00 H new ATOM 639 N THR A 44 11.469 6.583 5.786 1.00 0.00 N ATOM 640 CA THR A 44 10.290 5.732 5.910 1.00 0.00 C ATOM 641 C THR A 44 9.035 6.466 5.454 1.00 0.00 C ATOM 642 O THR A 44 8.655 7.485 6.030 1.00 0.00 O ATOM 643 CB THR A 44 10.117 5.266 7.356 1.00 0.00 C ATOM 644 OG1 THR A 44 9.392 6.223 8.107 1.00 0.00 O ATOM 645 CG2 THR A 44 11.428 5.019 8.071 1.00 0.00 C ATOM 0 H THR A 44 11.491 7.371 6.433 1.00 0.00 H new ATOM 0 HA THR A 44 10.437 4.863 5.268 1.00 0.00 H new ATOM 0 HB THR A 44 9.577 4.321 7.290 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.296 7.045 7.583 1.00 0.00 H new ATOM 0 HG21 THR A 44 11.230 4.691 9.091 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.990 4.247 7.545 1.00 0.00 H new ATOM 0 HG23 THR A 44 12.010 5.940 8.093 1.00 0.00 H new ATOM 653 N MET A 45 8.389 5.938 4.419 1.00 0.00 N ATOM 654 CA MET A 45 7.170 6.542 3.891 1.00 0.00 C ATOM 655 C MET A 45 5.969 5.635 4.133 1.00 0.00 C ATOM 656 O MET A 45 6.109 4.418 4.241 1.00 0.00 O ATOM 657 CB MET A 45 7.316 6.826 2.396 1.00 0.00 C ATOM 658 CG MET A 45 7.507 8.300 2.073 1.00 0.00 C ATOM 659 SD MET A 45 6.209 9.339 2.776 1.00 0.00 S ATOM 660 CE MET A 45 6.338 10.795 1.741 1.00 0.00 C ATOM 0 H MET A 45 8.688 5.095 3.930 1.00 0.00 H new ATOM 0 HA MET A 45 7.006 7.484 4.414 1.00 0.00 H new ATOM 0 HB2 MET A 45 8.166 6.265 2.009 1.00 0.00 H new ATOM 0 HB3 MET A 45 6.430 6.461 1.877 1.00 0.00 H new ATOM 0 HG2 MET A 45 8.475 8.629 2.451 1.00 0.00 H new ATOM 0 HG3 MET A 45 7.526 8.431 0.991 1.00 0.00 H new ATOM 0 HE1 MET A 45 5.699 11.583 2.140 1.00 0.00 H new ATOM 0 HE2 MET A 45 7.372 11.139 1.725 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.021 10.550 0.727 1.00 0.00 H new ATOM 670 N ASP A 46 4.785 6.236 4.219 1.00 0.00 N ATOM 671 CA ASP A 46 3.560 5.479 4.452 1.00 0.00 C ATOM 672 C ASP A 46 2.434 5.972 3.550 1.00 0.00 C ATOM 673 O ASP A 46 2.525 7.048 2.959 1.00 0.00 O ATOM 674 CB ASP A 46 3.140 5.591 5.918 1.00 0.00 C ATOM 675 CG ASP A 46 3.020 7.030 6.376 1.00 0.00 C ATOM 676 OD1 ASP A 46 2.471 7.852 5.613 1.00 0.00 O ATOM 677 OD2 ASP A 46 3.477 7.337 7.498 1.00 0.00 O ATOM 0 H ASP A 46 4.649 7.243 4.131 1.00 0.00 H new ATOM 0 HA ASP A 46 3.758 4.434 4.215 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.184 5.087 6.059 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.868 5.073 6.542 1.00 0.00 H new ATOM 682 N VAL A 47 1.370 5.180 3.451 1.00 0.00 N ATOM 683 CA VAL A 47 0.228 5.543 2.623 1.00 0.00 C ATOM 684 C VAL A 47 -1.070 5.465 3.423 1.00 0.00 C ATOM 685 O VAL A 47 -1.431 4.396 3.914 1.00 0.00 O ATOM 686 CB VAL A 47 0.112 4.626 1.387 1.00 0.00 C ATOM 687 CG1 VAL A 47 -1.162 4.927 0.604 1.00 0.00 C ATOM 688 CG2 VAL A 47 1.337 4.775 0.499 1.00 0.00 C ATOM 0 H VAL A 47 1.276 4.286 3.933 1.00 0.00 H new ATOM 0 HA VAL A 47 0.390 6.568 2.289 1.00 0.00 H new ATOM 0 HB VAL A 47 0.059 3.593 1.731 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.221 4.268 -0.262 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.029 4.764 1.244 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.147 5.965 0.270 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.239 4.122 -0.368 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.422 5.810 0.166 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.230 4.501 1.061 1.00 0.00 H new ATOM 698 N PRO A 48 -1.791 6.595 3.561 1.00 0.00 N ATOM 699 CA PRO A 48 -3.048 6.653 4.296 1.00 0.00 C ATOM 700 C PRO A 48 -4.257 6.380 3.406 1.00 0.00 C ATOM 701 O PRO A 48 -5.346 6.903 3.648 1.00 0.00 O ATOM 702 CB PRO A 48 -3.064 8.094 4.788 1.00 0.00 C ATOM 703 CG PRO A 48 -2.388 8.869 3.703 1.00 0.00 C ATOM 704 CD PRO A 48 -1.437 7.917 3.009 1.00 0.00 C ATOM 0 HA PRO A 48 -3.110 5.903 5.084 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -4.083 8.446 4.951 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -2.536 8.195 5.736 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -3.119 9.266 2.999 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -1.848 9.721 4.116 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -1.563 7.945 1.927 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -0.397 8.170 3.215 1.00 0.00 H new ATOM 712 N ALA A 49 -4.061 5.562 2.376 1.00 0.00 N ATOM 713 CA ALA A 49 -5.139 5.227 1.451 1.00 0.00 C ATOM 714 C ALA A 49 -5.839 6.484 0.949 1.00 0.00 C ATOM 715 O ALA A 49 -6.688 7.052 1.637 1.00 0.00 O ATOM 716 CB ALA A 49 -6.140 4.295 2.119 1.00 0.00 C ATOM 0 H ALA A 49 -3.167 5.120 2.161 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.702 4.716 0.593 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.938 4.054 1.417 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.636 3.378 2.424 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.564 4.785 2.996 1.00 0.00 H new ATOM 722 N GLU A 50 -5.480 6.913 -0.255 1.00 0.00 N ATOM 723 CA GLU A 50 -6.075 8.104 -0.849 1.00 0.00 C ATOM 724 C GLU A 50 -7.284 7.745 -1.688 1.00 0.00 C ATOM 725 O GLU A 50 -7.297 7.959 -2.899 1.00 0.00 O ATOM 726 CB GLU A 50 -5.044 8.845 -1.700 1.00 0.00 C ATOM 727 CG GLU A 50 -4.242 9.876 -0.924 1.00 0.00 C ATOM 728 CD GLU A 50 -2.889 9.350 -0.486 1.00 0.00 C ATOM 729 OE1 GLU A 50 -2.819 8.183 -0.047 1.00 0.00 O ATOM 730 OE2 GLU A 50 -1.899 10.105 -0.582 1.00 0.00 O ATOM 0 H GLU A 50 -4.780 6.454 -0.839 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.402 8.758 -0.041 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.359 8.120 -2.139 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.555 9.341 -2.525 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.101 10.762 -1.543 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.809 10.187 -0.046 1.00 0.00 H new ATOM 737 N VAL A 51 -8.298 7.181 -1.031 1.00 0.00 N ATOM 738 CA VAL A 51 -9.523 6.764 -1.706 1.00 0.00 C ATOM 739 C VAL A 51 -10.297 5.771 -0.839 1.00 0.00 C ATOM 740 O VAL A 51 -9.704 4.944 -0.148 1.00 0.00 O ATOM 741 CB VAL A 51 -9.210 6.122 -3.085 1.00 0.00 C ATOM 742 CG1 VAL A 51 -7.986 5.222 -2.984 1.00 0.00 C ATOM 743 CG2 VAL A 51 -10.408 5.353 -3.638 1.00 0.00 C ATOM 0 H VAL A 51 -8.293 7.003 -0.027 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.134 7.652 -1.868 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.994 6.928 -3.786 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.779 4.779 -3.958 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -7.127 5.811 -2.663 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.175 4.431 -2.258 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -10.148 4.919 -4.604 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.681 4.557 -2.945 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -11.251 6.033 -3.761 1.00 0.00 H new ATOM 753 N ALA A 52 -11.621 5.851 -0.895 1.00 0.00 N ATOM 754 CA ALA A 52 -12.475 4.952 -0.130 1.00 0.00 C ATOM 755 C ALA A 52 -12.820 3.723 -0.953 1.00 0.00 C ATOM 756 O ALA A 52 -12.300 3.546 -2.042 1.00 0.00 O ATOM 757 CB ALA A 52 -13.748 5.661 0.293 1.00 0.00 C ATOM 0 H ALA A 52 -12.127 6.530 -1.463 1.00 0.00 H new ATOM 0 HA ALA A 52 -11.932 4.641 0.762 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.374 4.975 0.863 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.496 6.522 0.912 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -14.289 5.996 -0.592 1.00 0.00 H new ATOM 763 N GLY A 53 -13.700 2.878 -0.434 1.00 0.00 N ATOM 764 CA GLY A 53 -14.088 1.684 -1.166 1.00 0.00 C ATOM 765 C GLY A 53 -13.708 0.406 -0.442 1.00 0.00 C ATOM 766 O GLY A 53 -13.712 0.355 0.787 1.00 0.00 O ATOM 0 H GLY A 53 -14.151 2.994 0.474 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.165 1.697 -1.330 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.615 1.695 -2.148 1.00 0.00 H new ATOM 770 N VAL A 54 -13.379 -0.628 -1.209 1.00 0.00 N ATOM 771 CA VAL A 54 -12.991 -1.915 -0.644 1.00 0.00 C ATOM 772 C VAL A 54 -11.887 -2.556 -1.478 1.00 0.00 C ATOM 773 O VAL A 54 -11.910 -2.479 -2.702 1.00 0.00 O ATOM 774 CB VAL A 54 -14.189 -2.881 -0.570 1.00 0.00 C ATOM 775 CG1 VAL A 54 -13.765 -4.217 0.020 1.00 0.00 C ATOM 776 CG2 VAL A 54 -15.320 -2.267 0.238 1.00 0.00 C ATOM 0 H VAL A 54 -13.373 -0.599 -2.229 1.00 0.00 H new ATOM 0 HA VAL A 54 -12.627 -1.727 0.366 1.00 0.00 H new ATOM 0 HB VAL A 54 -14.552 -3.058 -1.583 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -14.625 -4.885 0.064 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -12.991 -4.662 -0.606 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -13.374 -4.063 1.026 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -16.157 -2.964 0.279 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -14.972 -2.057 1.249 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -15.643 -1.339 -0.235 1.00 0.00 H new ATOM 786 N VAL A 55 -10.920 -3.182 -0.814 1.00 0.00 N ATOM 787 CA VAL A 55 -9.814 -3.819 -1.520 1.00 0.00 C ATOM 788 C VAL A 55 -10.229 -5.139 -2.154 1.00 0.00 C ATOM 789 O VAL A 55 -11.024 -5.894 -1.594 1.00 0.00 O ATOM 790 CB VAL A 55 -8.607 -4.080 -0.597 1.00 0.00 C ATOM 791 CG1 VAL A 55 -7.465 -4.727 -1.377 1.00 0.00 C ATOM 792 CG2 VAL A 55 -8.149 -2.785 0.055 1.00 0.00 C ATOM 0 H VAL A 55 -10.879 -3.262 0.202 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.523 -3.116 -2.301 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.914 -4.770 0.189 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -6.622 -4.903 -0.709 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.802 -5.676 -1.795 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.155 -4.064 -2.185 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.296 -2.986 0.704 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.858 -2.072 -0.717 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.964 -2.367 0.646 1.00 0.00 H new ATOM 802 N LYS A 56 -9.655 -5.414 -3.315 1.00 0.00 N ATOM 803 CA LYS A 56 -9.917 -6.648 -4.039 1.00 0.00 C ATOM 804 C LYS A 56 -8.646 -7.464 -4.094 1.00 0.00 C ATOM 805 O LYS A 56 -8.632 -8.653 -3.781 1.00 0.00 O ATOM 806 CB LYS A 56 -10.386 -6.392 -5.479 1.00 0.00 C ATOM 807 CG LYS A 56 -10.727 -4.944 -5.807 1.00 0.00 C ATOM 808 CD LYS A 56 -12.230 -4.720 -5.819 1.00 0.00 C ATOM 809 CE LYS A 56 -12.745 -4.307 -4.452 1.00 0.00 C ATOM 810 NZ LYS A 56 -13.914 -5.126 -4.027 1.00 0.00 N ATOM 0 H LYS A 56 -8.996 -4.790 -3.781 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.711 -7.175 -3.511 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.606 -6.728 -6.162 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.265 -7.007 -5.672 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -10.265 -4.284 -5.073 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -10.310 -4.681 -6.779 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -12.478 -3.950 -6.550 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -12.732 -5.634 -6.137 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.946 -4.407 -3.718 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -13.028 -3.255 -4.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -14.235 -4.812 -3.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -14.687 -5.011 -4.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -13.638 -6.128 -3.981 1.00 0.00 H new ATOM 824 N GLU A 57 -7.575 -6.802 -4.510 1.00 0.00 N ATOM 825 CA GLU A 57 -6.291 -7.450 -4.625 1.00 0.00 C ATOM 826 C GLU A 57 -5.318 -6.936 -3.569 1.00 0.00 C ATOM 827 O GLU A 57 -5.618 -5.993 -2.838 1.00 0.00 O ATOM 828 CB GLU A 57 -5.708 -7.242 -6.024 1.00 0.00 C ATOM 829 CG GLU A 57 -6.149 -8.294 -7.029 1.00 0.00 C ATOM 830 CD GLU A 57 -5.595 -8.042 -8.419 1.00 0.00 C ATOM 831 OE1 GLU A 57 -4.360 -7.913 -8.551 1.00 0.00 O ATOM 832 OE2 GLU A 57 -6.397 -7.975 -9.374 1.00 0.00 O ATOM 0 H GLU A 57 -7.578 -5.816 -4.772 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.440 -8.517 -4.460 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -6.002 -6.258 -6.388 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.620 -7.246 -5.960 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.826 -9.277 -6.686 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.238 -8.314 -7.074 1.00 0.00 H new ATOM 839 N VAL A 58 -4.152 -7.566 -3.501 1.00 0.00 N ATOM 840 CA VAL A 58 -3.126 -7.180 -2.540 1.00 0.00 C ATOM 841 C VAL A 58 -1.778 -7.777 -2.919 1.00 0.00 C ATOM 842 O VAL A 58 -1.643 -8.990 -3.076 1.00 0.00 O ATOM 843 CB VAL A 58 -3.493 -7.633 -1.116 1.00 0.00 C ATOM 844 CG1 VAL A 58 -3.709 -9.136 -1.076 1.00 0.00 C ATOM 845 CG2 VAL A 58 -2.415 -7.212 -0.129 1.00 0.00 C ATOM 0 H VAL A 58 -3.893 -8.349 -4.102 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.061 -6.092 -2.560 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.425 -7.149 -0.826 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.968 -9.440 -0.062 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.520 -9.405 -1.753 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.795 -9.643 -1.384 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.691 -7.540 0.873 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.465 -7.667 -0.411 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.315 -6.127 -0.140 1.00 0.00 H new ATOM 855 N LYS A 59 -0.785 -6.911 -3.072 1.00 0.00 N ATOM 856 CA LYS A 59 0.558 -7.341 -3.440 1.00 0.00 C ATOM 857 C LYS A 59 1.593 -6.675 -2.544 1.00 0.00 C ATOM 858 O LYS A 59 2.378 -5.843 -2.997 1.00 0.00 O ATOM 859 CB LYS A 59 0.840 -6.997 -4.904 1.00 0.00 C ATOM 860 CG LYS A 59 -0.399 -7.024 -5.787 1.00 0.00 C ATOM 861 CD LYS A 59 -0.130 -7.724 -7.107 1.00 0.00 C ATOM 862 CE LYS A 59 -1.194 -7.391 -8.140 1.00 0.00 C ATOM 863 NZ LYS A 59 -1.574 -8.582 -8.950 1.00 0.00 N ATOM 0 H LYS A 59 -0.885 -5.904 -2.947 1.00 0.00 H new ATOM 0 HA LYS A 59 0.623 -8.421 -3.309 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.290 -6.006 -4.955 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.573 -7.701 -5.299 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.209 -7.532 -5.263 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.733 -6.004 -5.977 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.849 -7.429 -7.484 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.099 -8.802 -6.949 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.077 -6.997 -7.637 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.826 -6.606 -8.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.223 -8.467 -9.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.155 -9.436 -8.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.610 -8.676 -8.964 1.00 0.00 H new ATOM 877 N VAL A 60 1.578 -7.037 -1.267 1.00 0.00 N ATOM 878 CA VAL A 60 2.506 -6.462 -0.305 1.00 0.00 C ATOM 879 C VAL A 60 2.435 -7.202 1.030 1.00 0.00 C ATOM 880 O VAL A 60 1.390 -7.731 1.409 1.00 0.00 O ATOM 881 CB VAL A 60 2.231 -4.939 -0.109 1.00 0.00 C ATOM 882 CG1 VAL A 60 0.748 -4.634 -0.275 1.00 0.00 C ATOM 883 CG2 VAL A 60 2.733 -4.422 1.239 1.00 0.00 C ATOM 0 H VAL A 60 0.934 -7.725 -0.876 1.00 0.00 H new ATOM 0 HA VAL A 60 3.515 -6.576 -0.702 1.00 0.00 H new ATOM 0 HB VAL A 60 2.792 -4.415 -0.883 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.578 -3.567 -0.134 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.427 -4.924 -1.275 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.176 -5.193 0.466 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.516 -3.357 1.324 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.232 -4.959 2.044 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.809 -4.580 1.312 1.00 0.00 H new ATOM 893 N LYS A 61 3.559 -7.224 1.734 1.00 0.00 N ATOM 894 CA LYS A 61 3.646 -7.886 3.029 1.00 0.00 C ATOM 895 C LYS A 61 4.288 -6.963 4.058 1.00 0.00 C ATOM 896 O LYS A 61 4.383 -5.754 3.846 1.00 0.00 O ATOM 897 CB LYS A 61 4.455 -9.179 2.915 1.00 0.00 C ATOM 898 CG LYS A 61 4.201 -9.945 1.626 1.00 0.00 C ATOM 899 CD LYS A 61 2.802 -10.539 1.598 1.00 0.00 C ATOM 900 CE LYS A 61 2.830 -12.013 1.231 1.00 0.00 C ATOM 901 NZ LYS A 61 1.468 -12.537 0.935 1.00 0.00 N ATOM 0 H LYS A 61 4.429 -6.788 1.427 1.00 0.00 H new ATOM 0 HA LYS A 61 2.635 -8.130 3.356 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.516 -8.941 2.983 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.218 -9.822 3.763 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.332 -9.278 0.774 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.938 -10.742 1.524 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.333 -10.415 2.574 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.189 -9.996 0.879 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.472 -12.159 0.362 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.268 -12.583 2.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.530 -13.546 0.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.862 -12.421 1.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.059 -12.010 0.137 1.00 0.00 H new ATOM 915 N VAL A 62 4.728 -7.537 5.172 1.00 0.00 N ATOM 916 CA VAL A 62 5.362 -6.758 6.227 1.00 0.00 C ATOM 917 C VAL A 62 6.883 -6.869 6.152 1.00 0.00 C ATOM 918 O VAL A 62 7.565 -6.900 7.176 1.00 0.00 O ATOM 919 CB VAL A 62 4.876 -7.203 7.624 1.00 0.00 C ATOM 920 CG1 VAL A 62 5.424 -8.576 7.984 1.00 0.00 C ATOM 921 CG2 VAL A 62 5.258 -6.172 8.675 1.00 0.00 C ATOM 0 H VAL A 62 4.657 -8.536 5.367 1.00 0.00 H new ATOM 0 HA VAL A 62 5.076 -5.717 6.075 1.00 0.00 H new ATOM 0 HB VAL A 62 3.789 -7.278 7.597 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.065 -8.863 8.972 1.00 0.00 H new ATOM 0 HG12 VAL A 62 5.086 -9.307 7.249 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.513 -8.543 7.989 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.908 -6.502 9.653 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.342 -6.059 8.697 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.799 -5.215 8.429 1.00 0.00 H new ATOM 931 N GLY A 63 7.404 -6.928 4.930 1.00 0.00 N ATOM 932 CA GLY A 63 8.839 -7.033 4.738 1.00 0.00 C ATOM 933 C GLY A 63 9.202 -7.702 3.426 1.00 0.00 C ATOM 934 O GLY A 63 9.780 -8.789 3.414 1.00 0.00 O ATOM 0 H GLY A 63 6.858 -6.905 4.069 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.280 -6.037 4.768 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.272 -7.599 5.563 1.00 0.00 H new ATOM 938 N ASP A 64 8.863 -7.051 2.317 1.00 0.00 N ATOM 939 CA ASP A 64 9.156 -7.591 0.995 1.00 0.00 C ATOM 940 C ASP A 64 9.765 -6.522 0.090 1.00 0.00 C ATOM 941 O ASP A 64 9.654 -5.327 0.362 1.00 0.00 O ATOM 942 CB ASP A 64 7.885 -8.152 0.357 1.00 0.00 C ATOM 943 CG ASP A 64 6.672 -7.281 0.620 1.00 0.00 C ATOM 944 OD1 ASP A 64 6.310 -7.109 1.803 1.00 0.00 O ATOM 945 OD2 ASP A 64 6.086 -6.771 -0.357 1.00 0.00 O ATOM 0 H ASP A 64 8.386 -6.150 2.308 1.00 0.00 H new ATOM 0 HA ASP A 64 9.881 -8.396 1.113 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.034 -8.248 -0.719 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.700 -9.154 0.744 1.00 0.00 H new ATOM 950 N LYS A 65 10.407 -6.964 -0.987 1.00 0.00 N ATOM 951 CA LYS A 65 11.038 -6.052 -1.936 1.00 0.00 C ATOM 952 C LYS A 65 9.990 -5.340 -2.786 1.00 0.00 C ATOM 953 O LYS A 65 9.297 -5.966 -3.587 1.00 0.00 O ATOM 954 CB LYS A 65 12.007 -6.818 -2.838 1.00 0.00 C ATOM 955 CG LYS A 65 13.384 -7.012 -2.225 1.00 0.00 C ATOM 956 CD LYS A 65 13.577 -8.436 -1.729 1.00 0.00 C ATOM 957 CE LYS A 65 14.827 -9.067 -2.321 1.00 0.00 C ATOM 958 NZ LYS A 65 16.064 -8.363 -1.882 1.00 0.00 N ATOM 0 H LYS A 65 10.504 -7.951 -1.225 1.00 0.00 H new ATOM 0 HA LYS A 65 11.591 -5.302 -1.371 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.581 -7.794 -3.069 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.111 -6.284 -3.782 1.00 0.00 H new ATOM 0 HG2 LYS A 65 14.149 -6.776 -2.965 1.00 0.00 H new ATOM 0 HG3 LYS A 65 13.516 -6.316 -1.397 1.00 0.00 H new ATOM 0 HD2 LYS A 65 13.648 -8.437 -0.641 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.706 -9.036 -1.992 1.00 0.00 H new ATOM 0 HE2 LYS A 65 14.880 -10.115 -2.024 1.00 0.00 H new ATOM 0 HE3 LYS A 65 14.764 -9.046 -3.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 16.896 -8.934 -2.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.123 -7.438 -2.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 16.038 -8.225 -0.851 1.00 0.00 H new ATOM 972 N ILE A 66 9.876 -4.029 -2.603 1.00 0.00 N ATOM 973 CA ILE A 66 8.910 -3.236 -3.349 1.00 0.00 C ATOM 974 C ILE A 66 9.573 -2.010 -3.989 1.00 0.00 C ATOM 975 O ILE A 66 10.700 -1.654 -3.651 1.00 0.00 O ATOM 976 CB ILE A 66 7.712 -2.832 -2.433 1.00 0.00 C ATOM 977 CG1 ILE A 66 6.400 -3.248 -3.092 1.00 0.00 C ATOM 978 CG2 ILE A 66 7.692 -1.344 -2.078 1.00 0.00 C ATOM 979 CD1 ILE A 66 6.222 -4.746 -3.136 1.00 0.00 C ATOM 0 H ILE A 66 10.442 -3.494 -1.944 1.00 0.00 H new ATOM 0 HA ILE A 66 8.518 -3.848 -4.162 1.00 0.00 H new ATOM 0 HB ILE A 66 7.839 -3.362 -1.489 1.00 0.00 H new ATOM 0 HG12 ILE A 66 5.567 -2.803 -2.548 1.00 0.00 H new ATOM 0 HG13 ILE A 66 6.366 -2.852 -4.107 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.834 -1.134 -1.440 1.00 0.00 H new ATOM 0 HG22 ILE A 66 8.609 -1.084 -1.550 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.619 -0.753 -2.991 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.273 -4.986 -3.615 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.038 -5.193 -3.704 1.00 0.00 H new ATOM 0 HD13 ILE A 66 6.227 -5.143 -2.121 1.00 0.00 H new ATOM 991 N SER A 67 8.862 -1.370 -4.911 1.00 0.00 N ATOM 992 CA SER A 67 9.384 -0.189 -5.588 1.00 0.00 C ATOM 993 C SER A 67 8.273 0.815 -5.886 1.00 0.00 C ATOM 994 O SER A 67 7.180 0.438 -6.311 1.00 0.00 O ATOM 995 CB SER A 67 10.085 -0.590 -6.887 1.00 0.00 C ATOM 996 OG SER A 67 10.047 -1.994 -7.073 1.00 0.00 O ATOM 0 H SER A 67 7.926 -1.648 -5.206 1.00 0.00 H new ATOM 0 HA SER A 67 10.104 0.287 -4.922 1.00 0.00 H new ATOM 0 HB2 SER A 67 9.605 -0.095 -7.731 1.00 0.00 H new ATOM 0 HB3 SER A 67 11.121 -0.251 -6.865 1.00 0.00 H new ATOM 0 HG SER A 67 10.500 -2.225 -7.911 1.00 0.00 H new ATOM 1002 N GLU A 68 8.564 2.098 -5.662 1.00 0.00 N ATOM 1003 CA GLU A 68 7.600 3.174 -5.906 1.00 0.00 C ATOM 1004 C GLU A 68 6.811 2.928 -7.193 1.00 0.00 C ATOM 1005 O GLU A 68 7.337 3.080 -8.294 1.00 0.00 O ATOM 1006 CB GLU A 68 8.322 4.523 -5.990 1.00 0.00 C ATOM 1007 CG GLU A 68 9.384 4.715 -4.918 1.00 0.00 C ATOM 1008 CD GLU A 68 10.786 4.463 -5.435 1.00 0.00 C ATOM 1009 OE1 GLU A 68 10.965 3.518 -6.232 1.00 0.00 O ATOM 1010 OE2 GLU A 68 11.707 5.209 -5.042 1.00 0.00 O ATOM 0 H GLU A 68 9.466 2.419 -5.310 1.00 0.00 H new ATOM 0 HA GLU A 68 6.899 3.191 -5.072 1.00 0.00 H new ATOM 0 HB2 GLU A 68 8.788 4.616 -6.971 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.587 5.324 -5.909 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.322 5.731 -4.528 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.181 4.041 -4.086 1.00 0.00 H new ATOM 1017 N GLY A 69 5.547 2.541 -7.043 1.00 0.00 N ATOM 1018 CA GLY A 69 4.712 2.273 -8.198 1.00 0.00 C ATOM 1019 C GLY A 69 4.789 0.823 -8.640 1.00 0.00 C ATOM 1020 O GLY A 69 5.337 0.522 -9.700 1.00 0.00 O ATOM 0 H GLY A 69 5.088 2.409 -6.142 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.678 2.524 -7.962 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.017 2.918 -9.022 1.00 0.00 H new ATOM 1024 N GLY A 70 4.242 -0.078 -7.828 1.00 0.00 N ATOM 1025 CA GLY A 70 4.270 -1.489 -8.169 1.00 0.00 C ATOM 1026 C GLY A 70 2.919 -2.155 -8.013 1.00 0.00 C ATOM 1027 O GLY A 70 2.836 -3.368 -7.817 1.00 0.00 O ATOM 0 H GLY A 70 3.782 0.143 -6.945 1.00 0.00 H new ATOM 0 HA2 GLY A 70 4.610 -1.603 -9.198 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.996 -1.997 -7.535 1.00 0.00 H new ATOM 1031 N LEU A 71 1.857 -1.361 -8.096 1.00 0.00 N ATOM 1032 CA LEU A 71 0.498 -1.881 -7.957 1.00 0.00 C ATOM 1033 C LEU A 71 0.390 -2.777 -6.728 1.00 0.00 C ATOM 1034 O LEU A 71 0.427 -4.003 -6.834 1.00 0.00 O ATOM 1035 CB LEU A 71 0.090 -2.657 -9.212 1.00 0.00 C ATOM 1036 CG LEU A 71 -1.187 -3.491 -9.073 1.00 0.00 C ATOM 1037 CD1 LEU A 71 -2.272 -2.696 -8.362 1.00 0.00 C ATOM 1038 CD2 LEU A 71 -1.671 -3.953 -10.439 1.00 0.00 C ATOM 0 H LEU A 71 1.909 -0.355 -8.259 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.179 -1.036 -7.833 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.044 -1.950 -10.030 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.909 -3.319 -9.493 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.959 -4.371 -8.472 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.171 -3.306 -8.273 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.925 -2.415 -7.368 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.499 -1.797 -8.935 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.579 -4.544 -10.322 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.881 -3.085 -11.063 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.900 -4.562 -10.911 1.00 0.00 H new ATOM 1050 N ILE A 72 0.266 -2.153 -5.565 1.00 0.00 N ATOM 1051 CA ILE A 72 0.163 -2.883 -4.311 1.00 0.00 C ATOM 1052 C ILE A 72 -1.211 -3.548 -4.169 1.00 0.00 C ATOM 1053 O ILE A 72 -1.334 -4.766 -4.294 1.00 0.00 O ATOM 1054 CB ILE A 72 0.464 -1.939 -3.110 1.00 0.00 C ATOM 1055 CG1 ILE A 72 1.943 -2.029 -2.746 1.00 0.00 C ATOM 1056 CG2 ILE A 72 -0.395 -2.243 -1.880 1.00 0.00 C ATOM 1057 CD1 ILE A 72 2.548 -0.698 -2.375 1.00 0.00 C ATOM 0 H ILE A 72 0.234 -1.138 -5.465 1.00 0.00 H new ATOM 0 HA ILE A 72 0.908 -3.678 -4.313 1.00 0.00 H new ATOM 0 HB ILE A 72 0.212 -0.927 -3.427 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.063 -2.720 -1.912 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.493 -2.448 -3.589 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.138 -1.552 -1.077 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.449 -2.128 -2.135 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.210 -3.266 -1.551 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.601 -0.833 -2.127 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.458 -0.011 -3.216 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.022 -0.287 -1.513 1.00 0.00 H new ATOM 1069 N VAL A 73 -2.233 -2.745 -3.893 1.00 0.00 N ATOM 1070 CA VAL A 73 -3.581 -3.271 -3.720 1.00 0.00 C ATOM 1071 C VAL A 73 -4.604 -2.503 -4.552 1.00 0.00 C ATOM 1072 O VAL A 73 -4.497 -1.291 -4.731 1.00 0.00 O ATOM 1073 CB VAL A 73 -4.009 -3.231 -2.239 1.00 0.00 C ATOM 1074 CG1 VAL A 73 -3.007 -3.975 -1.371 1.00 0.00 C ATOM 1075 CG2 VAL A 73 -4.170 -1.794 -1.764 1.00 0.00 C ATOM 0 H VAL A 73 -2.154 -1.734 -3.785 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.554 -4.305 -4.064 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.974 -3.729 -2.149 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.327 -3.935 -0.330 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -2.948 -5.015 -1.693 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.026 -3.509 -1.467 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -4.472 -1.789 -0.717 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.222 -1.267 -1.871 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.931 -1.296 -2.364 1.00 0.00 H new ATOM 1085 N VAL A 74 -5.603 -3.226 -5.042 1.00 0.00 N ATOM 1086 CA VAL A 74 -6.669 -2.637 -5.842 1.00 0.00 C ATOM 1087 C VAL A 74 -7.954 -2.573 -5.025 1.00 0.00 C ATOM 1088 O VAL A 74 -8.311 -3.532 -4.343 1.00 0.00 O ATOM 1089 CB VAL A 74 -6.914 -3.460 -7.123 1.00 0.00 C ATOM 1090 CG1 VAL A 74 -8.043 -2.864 -7.952 1.00 0.00 C ATOM 1091 CG2 VAL A 74 -5.636 -3.557 -7.944 1.00 0.00 C ATOM 0 H VAL A 74 -5.697 -4.231 -4.897 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.365 -1.630 -6.128 1.00 0.00 H new ATOM 0 HB VAL A 74 -7.214 -4.465 -6.827 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.193 -3.465 -8.849 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -8.961 -2.855 -7.364 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -7.785 -1.844 -8.238 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -5.826 -4.141 -8.845 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -5.306 -2.556 -8.223 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.860 -4.043 -7.353 1.00 0.00 H new ATOM 1101 N VAL A 75 -8.639 -1.436 -5.082 1.00 0.00 N ATOM 1102 CA VAL A 75 -9.869 -1.263 -4.324 1.00 0.00 C ATOM 1103 C VAL A 75 -11.048 -0.888 -5.213 1.00 0.00 C ATOM 1104 O VAL A 75 -10.887 -0.609 -6.401 1.00 0.00 O ATOM 1105 CB VAL A 75 -9.708 -0.190 -3.234 1.00 0.00 C ATOM 1106 CG1 VAL A 75 -8.821 -0.696 -2.108 1.00 0.00 C ATOM 1107 CG2 VAL A 75 -9.157 1.103 -3.819 1.00 0.00 C ATOM 0 H VAL A 75 -8.365 -0.628 -5.641 1.00 0.00 H new ATOM 0 HA VAL A 75 -10.075 -2.228 -3.861 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.694 0.023 -2.821 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.720 0.079 -1.348 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.269 -1.585 -1.663 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.837 -0.945 -2.504 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -9.053 1.845 -3.027 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -8.182 0.913 -4.269 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -9.841 1.478 -4.580 1.00 0.00 H new ATOM 1117 N GLU A 76 -12.236 -0.885 -4.614 1.00 0.00 N ATOM 1118 CA GLU A 76 -13.460 -0.548 -5.326 1.00 0.00 C ATOM 1119 C GLU A 76 -13.602 0.962 -5.474 1.00 0.00 C ATOM 1120 O GLU A 76 -14.278 1.441 -6.385 1.00 0.00 O ATOM 1121 CB GLU A 76 -14.675 -1.115 -4.590 1.00 0.00 C ATOM 1122 CG GLU A 76 -15.597 -1.933 -5.480 1.00 0.00 C ATOM 1123 CD GLU A 76 -17.043 -1.883 -5.024 1.00 0.00 C ATOM 1124 OE1 GLU A 76 -17.558 -0.768 -4.803 1.00 0.00 O ATOM 1125 OE2 GLU A 76 -17.660 -2.961 -4.888 1.00 0.00 O ATOM 0 H GLU A 76 -12.374 -1.114 -3.630 1.00 0.00 H new ATOM 0 HA GLU A 76 -13.407 -0.991 -6.321 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -14.331 -1.739 -3.765 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -15.241 -0.293 -4.153 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -15.530 -1.564 -6.503 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -15.259 -2.969 -5.492 1.00 0.00 H new ATOM 1132 N ALA A 77 -12.961 1.709 -4.568 1.00 0.00 N ATOM 1133 CA ALA A 77 -13.004 3.169 -4.583 1.00 0.00 C ATOM 1134 C ALA A 77 -14.247 3.690 -3.870 1.00 0.00 C ATOM 1135 O ALA A 77 -15.044 2.912 -3.346 1.00 0.00 O ATOM 1136 CB ALA A 77 -12.944 3.702 -5.999 1.00 0.00 C ATOM 0 H ALA A 77 -12.402 1.318 -3.810 1.00 0.00 H new ATOM 0 HA ALA A 77 -12.127 3.529 -4.045 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -12.978 4.791 -5.979 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -12.017 3.376 -6.471 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -13.794 3.323 -6.567 1.00 0.00 H new ATOM 1142 N GLU A 78 -14.408 5.010 -3.850 1.00 0.00 N ATOM 1143 CA GLU A 78 -15.555 5.629 -3.196 1.00 0.00 C ATOM 1144 C GLU A 78 -16.857 4.978 -3.650 1.00 0.00 C ATOM 1145 O GLU A 78 -17.421 5.343 -4.682 1.00 0.00 O ATOM 1146 CB GLU A 78 -15.590 7.129 -3.493 1.00 0.00 C ATOM 1147 CG GLU A 78 -15.617 7.996 -2.243 1.00 0.00 C ATOM 1148 CD GLU A 78 -17.022 8.403 -1.846 1.00 0.00 C ATOM 1149 OE1 GLU A 78 -17.631 9.220 -2.569 1.00 0.00 O ATOM 1150 OE2 GLU A 78 -17.515 7.905 -0.812 1.00 0.00 O ATOM 0 H GLU A 78 -13.759 5.670 -4.279 1.00 0.00 H new ATOM 0 HA GLU A 78 -15.452 5.481 -2.121 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.717 7.393 -4.090 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -16.469 7.351 -4.098 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -15.153 7.454 -1.419 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -15.018 8.891 -2.413 1.00 0.00 H new ATOM 1157 N GLY A 79 -17.330 4.010 -2.871 1.00 0.00 N ATOM 1158 CA GLY A 79 -18.561 3.320 -3.208 1.00 0.00 C ATOM 1159 C GLY A 79 -19.792 4.170 -2.959 1.00 0.00 C ATOM 1160 O GLY A 79 -20.449 4.615 -3.901 1.00 0.00 O ATOM 0 H GLY A 79 -16.882 3.691 -2.012 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -18.533 3.026 -4.257 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -18.632 2.404 -2.622 1.00 0.00 H new ATOM 1164 N THR A 80 -20.105 4.397 -1.688 1.00 0.00 N ATOM 1165 CA THR A 80 -21.265 5.200 -1.317 1.00 0.00 C ATOM 1166 C THR A 80 -21.137 5.712 0.113 1.00 0.00 C ATOM 1167 O THR A 80 -20.131 5.474 0.781 1.00 0.00 O ATOM 1168 CB THR A 80 -22.549 4.382 -1.465 1.00 0.00 C ATOM 1169 OG1 THR A 80 -23.686 5.178 -1.184 1.00 0.00 O ATOM 1170 CG2 THR A 80 -22.599 3.175 -0.554 1.00 0.00 C ATOM 0 H THR A 80 -19.572 4.036 -0.897 1.00 0.00 H new ATOM 0 HA THR A 80 -21.310 6.057 -1.989 1.00 0.00 H new ATOM 0 HB THR A 80 -22.553 4.037 -2.499 1.00 0.00 H new ATOM 0 HG1 THR A 80 -24.497 4.637 -1.286 1.00 0.00 H new ATOM 0 HG21 THR A 80 -23.536 2.640 -0.710 1.00 0.00 H new ATOM 0 HG22 THR A 80 -21.762 2.514 -0.779 1.00 0.00 H new ATOM 0 HG23 THR A 80 -22.536 3.500 0.484 1.00 0.00 H new ATOM 1178 N ALA A 81 -22.164 6.416 0.578 1.00 0.00 N ATOM 1179 CA ALA A 81 -22.167 6.961 1.930 1.00 0.00 C ATOM 1180 C ALA A 81 -22.283 5.852 2.969 1.00 0.00 C ATOM 1181 O ALA A 81 -23.041 4.890 2.724 1.00 0.00 O ATOM 1182 CB ALA A 81 -23.304 7.960 2.092 1.00 0.00 C ATOM 1183 OXT ALA A 81 -21.616 5.955 4.019 1.00 0.00 O ATOM 0 H ALA A 81 -23.005 6.622 0.038 1.00 0.00 H new ATOM 0 HA ALA A 81 -21.219 7.475 2.091 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -23.295 8.360 3.106 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -23.177 8.775 1.380 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -24.255 7.462 1.907 1.00 0.00 H new TER 1189 ALA A 81