USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 594 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 24 SER OG : rot 180:sc= 0.969 USER MOD Set 1.2: A 68 SER OG : rot -151:sc= 0.707 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -96:sc= -0.44! USER MOD Single : A 11 THR OG1 : rot -11:sc= -5.11! USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -176:sc= 0.0629 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -128:sc= -0.404 (180deg=-0.915) USER MOD Single : A 29 LYS NZ :NH3+ -147:sc= -6.25! (180deg=-9.14!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -154:sc=-0.00545 (180deg=-0.743) USER MOD Single : A 42 ASN : amide:sc= -1.94 K(o=-1.9,f=-0.73) USER MOD Single : A 43 ASN : amide:sc= -2.58 K(o=-2.6,f=-5.7!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 165:sc= -0.0462 (180deg=-0.363) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 107:sc= 0.806 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -3.8! C(o=-3.8!,f=-4.7!) USER MOD Single : A 62 THR OG1 : rot 140:sc= -0.904 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 98:sc= -0.307 USER MOD Single : A 70 SER OG : rot 180:sc= -0.624 USER MOD Single : A 74 SER OG : rot -64:sc= 0.719 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.767 -1.501 16.024 1.00 0.00 N ATOM 2 CA MET A 1 -5.280 -0.110 15.879 1.00 0.00 C ATOM 3 C MET A 1 -5.279 0.285 14.401 1.00 0.00 C ATOM 4 O MET A 1 -4.300 0.111 13.703 1.00 0.00 O ATOM 5 CB MET A 1 -4.382 0.848 16.666 1.00 0.00 C ATOM 6 CG MET A 1 -5.134 2.155 16.926 1.00 0.00 C ATOM 7 SD MET A 1 -4.854 2.686 18.634 1.00 0.00 S ATOM 8 CE MET A 1 -3.952 4.209 18.253 1.00 0.00 C ATOM 0 H1 MET A 1 -4.768 -1.768 17.029 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.377 -2.153 15.491 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.797 -1.554 15.653 1.00 0.00 H new ATOM 0 HA MET A 1 -6.297 -0.056 16.266 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.086 0.392 17.611 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.467 1.047 16.108 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.794 2.926 16.234 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.200 2.015 16.748 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.675 4.710 19.181 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.051 3.967 17.689 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.586 4.868 17.660 1.00 0.00 H new ATOM 20 N ALA A 2 -6.369 0.816 13.918 1.00 0.00 N ATOM 21 CA ALA A 2 -6.430 1.223 12.485 1.00 0.00 C ATOM 22 C ALA A 2 -7.889 1.456 12.082 1.00 0.00 C ATOM 23 O ALA A 2 -8.801 1.195 12.841 1.00 0.00 O ATOM 24 CB ALA A 2 -5.830 0.116 11.615 1.00 0.00 C ATOM 0 H ALA A 2 -7.220 0.986 14.454 1.00 0.00 H new ATOM 0 HA ALA A 2 -5.863 2.143 12.344 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -5.874 0.413 10.567 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -4.792 -0.050 11.902 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -6.396 -0.805 11.756 1.00 0.00 H new ATOM 30 N GLY A 3 -8.116 1.944 10.893 1.00 0.00 N ATOM 31 CA GLY A 3 -9.516 2.193 10.443 1.00 0.00 C ATOM 32 C GLY A 3 -10.164 0.869 10.032 1.00 0.00 C ATOM 33 O GLY A 3 -9.837 -0.174 10.564 1.00 0.00 O ATOM 0 H GLY A 3 -7.393 2.181 10.214 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -10.090 2.657 11.245 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -9.521 2.888 9.604 1.00 0.00 H new ATOM 37 N PRO A 4 -11.066 0.959 9.093 1.00 0.00 N ATOM 38 CA PRO A 4 -11.746 -0.271 8.630 1.00 0.00 C ATOM 39 C PRO A 4 -11.202 -0.696 7.263 1.00 0.00 C ATOM 40 O PRO A 4 -11.253 0.049 6.306 1.00 0.00 O ATOM 41 CB PRO A 4 -13.219 0.124 8.527 1.00 0.00 C ATOM 42 CG PRO A 4 -13.245 1.656 8.374 1.00 0.00 C ATOM 43 CD PRO A 4 -11.895 2.172 8.902 1.00 0.00 C ATOM 0 HA PRO A 4 -11.591 -1.115 9.302 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -13.693 -0.360 7.673 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -13.768 -0.188 9.415 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -13.387 1.939 7.331 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -14.072 2.088 8.937 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -11.431 2.859 8.194 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -12.020 2.716 9.838 1.00 0.00 H new ATOM 51 N SER A 5 -10.681 -1.889 7.169 1.00 0.00 N ATOM 52 CA SER A 5 -10.130 -2.371 5.869 1.00 0.00 C ATOM 53 C SER A 5 -8.977 -1.469 5.429 1.00 0.00 C ATOM 54 O SER A 5 -7.840 -1.752 5.701 1.00 0.00 O ATOM 55 CB SER A 5 -11.220 -2.357 4.808 1.00 0.00 C ATOM 56 OG SER A 5 -12.175 -3.368 5.099 1.00 0.00 O ATOM 0 H SER A 5 -10.613 -2.554 7.940 1.00 0.00 H new ATOM 0 HA SER A 5 -9.764 -3.390 5.995 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.704 -1.381 4.781 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.786 -2.524 3.822 1.00 0.00 H new ATOM 0 HG SER A 5 -12.879 -3.359 4.417 1.00 0.00 H new ATOM 62 N VAL A 6 -9.257 -0.386 4.756 1.00 0.00 N ATOM 63 CA VAL A 6 -8.162 0.526 4.318 1.00 0.00 C ATOM 64 C VAL A 6 -7.313 0.882 5.552 1.00 0.00 C ATOM 65 O VAL A 6 -7.590 1.812 6.280 1.00 0.00 O ATOM 66 CB VAL A 6 -8.795 1.761 3.655 1.00 0.00 C ATOM 67 CG1 VAL A 6 -8.161 3.060 4.162 1.00 0.00 C ATOM 68 CG2 VAL A 6 -8.598 1.675 2.139 1.00 0.00 C ATOM 0 H VAL A 6 -10.197 -0.093 4.490 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.505 0.059 3.584 1.00 0.00 H new ATOM 0 HB VAL A 6 -9.855 1.773 3.908 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -8.633 3.911 3.672 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -8.303 3.138 5.240 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -7.095 3.057 3.936 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -9.045 2.548 1.664 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.532 1.644 1.912 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -9.076 0.772 1.761 1.00 0.00 H new ATOM 78 N THR A 7 -6.297 0.096 5.776 1.00 0.00 N ATOM 79 CA THR A 7 -5.372 0.259 6.944 1.00 0.00 C ATOM 80 C THR A 7 -4.882 -1.145 7.281 1.00 0.00 C ATOM 81 O THR A 7 -3.702 -1.420 7.376 1.00 0.00 O ATOM 82 CB THR A 7 -6.102 0.848 8.160 1.00 0.00 C ATOM 83 OG1 THR A 7 -7.472 0.470 8.128 1.00 0.00 O ATOM 84 CG2 THR A 7 -5.982 2.374 8.152 1.00 0.00 C ATOM 0 H THR A 7 -6.057 -0.689 5.171 1.00 0.00 H new ATOM 0 HA THR A 7 -4.558 0.941 6.698 1.00 0.00 H new ATOM 0 HB THR A 7 -5.646 0.462 9.071 1.00 0.00 H new ATOM 0 HG1 THR A 7 -8.001 1.190 7.725 1.00 0.00 H new ATOM 0 HG21 THR A 7 -6.502 2.784 9.017 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.930 2.656 8.193 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.428 2.769 7.239 1.00 0.00 H new ATOM 92 N GLU A 8 -5.817 -2.042 7.372 1.00 0.00 N ATOM 93 CA GLU A 8 -5.521 -3.477 7.603 1.00 0.00 C ATOM 94 C GLU A 8 -5.912 -4.167 6.302 1.00 0.00 C ATOM 95 O GLU A 8 -6.230 -5.339 6.251 1.00 0.00 O ATOM 96 CB GLU A 8 -6.396 -4.002 8.741 1.00 0.00 C ATOM 97 CG GLU A 8 -5.520 -4.335 9.951 1.00 0.00 C ATOM 98 CD GLU A 8 -5.493 -5.850 10.160 1.00 0.00 C ATOM 99 OE1 GLU A 8 -6.434 -6.503 9.740 1.00 0.00 O ATOM 100 OE2 GLU A 8 -4.531 -6.331 10.737 1.00 0.00 O ATOM 0 H GLU A 8 -6.812 -1.830 7.293 1.00 0.00 H new ATOM 0 HA GLU A 8 -4.479 -3.650 7.872 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -7.142 -3.255 9.014 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -6.938 -4.890 8.416 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.508 -3.961 9.795 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.909 -3.841 10.842 1.00 0.00 H new ATOM 107 N LEU A 9 -5.923 -3.387 5.257 1.00 0.00 N ATOM 108 CA LEU A 9 -6.322 -3.858 3.919 1.00 0.00 C ATOM 109 C LEU A 9 -5.096 -3.780 3.007 1.00 0.00 C ATOM 110 O LEU A 9 -4.809 -4.691 2.256 1.00 0.00 O ATOM 111 CB LEU A 9 -7.435 -2.913 3.444 1.00 0.00 C ATOM 112 CG LEU A 9 -7.523 -2.869 1.933 1.00 0.00 C ATOM 113 CD1 LEU A 9 -8.310 -4.077 1.436 1.00 0.00 C ATOM 114 CD2 LEU A 9 -8.244 -1.589 1.505 1.00 0.00 C ATOM 0 H LEU A 9 -5.659 -2.402 5.288 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.684 -4.886 3.916 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.390 -3.240 3.855 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.249 -1.910 3.827 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.519 -2.886 1.509 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.374 -4.047 0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.805 -4.992 1.744 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.314 -4.056 1.860 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.309 -1.554 0.417 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.248 -1.578 1.929 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -7.689 -0.722 1.863 1.00 0.00 H new ATOM 126 N ILE A 10 -4.348 -2.707 3.086 1.00 0.00 N ATOM 127 CA ILE A 10 -3.129 -2.602 2.247 1.00 0.00 C ATOM 128 C ILE A 10 -2.147 -3.654 2.756 1.00 0.00 C ATOM 129 O ILE A 10 -1.548 -4.393 2.000 1.00 0.00 O ATOM 130 CB ILE A 10 -2.536 -1.186 2.383 1.00 0.00 C ATOM 131 CG1 ILE A 10 -2.960 -0.360 1.165 1.00 0.00 C ATOM 132 CG2 ILE A 10 -0.999 -1.244 2.469 1.00 0.00 C ATOM 133 CD1 ILE A 10 -2.146 0.932 1.090 1.00 0.00 C ATOM 0 H ILE A 10 -4.532 -1.908 3.693 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.349 -2.772 1.193 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.908 -0.725 3.298 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.816 -0.942 0.255 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.023 -0.125 1.228 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.602 -0.234 2.565 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.705 -1.833 3.338 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.601 -1.706 1.566 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.458 1.509 0.219 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.312 1.519 1.993 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.087 0.690 1.004 1.00 0.00 H new ATOM 145 N THR A 11 -2.000 -3.721 4.048 1.00 0.00 N ATOM 146 CA THR A 11 -1.085 -4.717 4.653 1.00 0.00 C ATOM 147 C THR A 11 -1.528 -6.111 4.209 1.00 0.00 C ATOM 148 O THR A 11 -0.775 -7.062 4.265 1.00 0.00 O ATOM 149 CB THR A 11 -1.164 -4.583 6.179 1.00 0.00 C ATOM 150 OG1 THR A 11 -0.357 -3.489 6.591 1.00 0.00 O ATOM 151 CG2 THR A 11 -0.664 -5.863 6.852 1.00 0.00 C ATOM 0 H THR A 11 -2.482 -3.119 4.716 1.00 0.00 H new ATOM 0 HA THR A 11 -0.055 -4.553 4.335 1.00 0.00 H new ATOM 0 HB THR A 11 -2.201 -4.415 6.469 1.00 0.00 H new ATOM 0 HG1 THR A 11 0.196 -3.189 5.839 1.00 0.00 H new ATOM 0 HG21 THR A 11 -0.726 -5.753 7.935 1.00 0.00 H new ATOM 0 HG22 THR A 11 -1.281 -6.705 6.537 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.372 -6.045 6.565 1.00 0.00 H new ATOM 159 N LYS A 12 -2.742 -6.234 3.745 1.00 0.00 N ATOM 160 CA LYS A 12 -3.223 -7.558 3.268 1.00 0.00 C ATOM 161 C LYS A 12 -2.557 -7.846 1.923 1.00 0.00 C ATOM 162 O LYS A 12 -2.128 -8.949 1.649 1.00 0.00 O ATOM 163 CB LYS A 12 -4.743 -7.521 3.093 1.00 0.00 C ATOM 164 CG LYS A 12 -5.401 -8.446 4.119 1.00 0.00 C ATOM 165 CD LYS A 12 -6.436 -9.331 3.420 1.00 0.00 C ATOM 166 CE LYS A 12 -5.762 -10.611 2.922 1.00 0.00 C ATOM 167 NZ LYS A 12 -6.415 -11.057 1.658 1.00 0.00 N ATOM 0 H LYS A 12 -3.419 -5.475 3.676 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.972 -8.336 3.990 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.109 -6.502 3.220 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.011 -7.833 2.083 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.646 -9.065 4.603 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.880 -7.857 4.901 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.244 -9.577 4.109 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.883 -8.794 2.584 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.700 -10.433 2.752 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.837 -11.392 3.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.957 -11.927 1.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.423 -11.242 1.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.321 -10.313 0.937 1.00 0.00 H new ATOM 181 N ALA A 13 -2.449 -6.844 1.092 1.00 0.00 N ATOM 182 CA ALA A 13 -1.793 -7.031 -0.230 1.00 0.00 C ATOM 183 C ALA A 13 -0.276 -6.950 -0.044 1.00 0.00 C ATOM 184 O ALA A 13 0.487 -7.237 -0.945 1.00 0.00 O ATOM 185 CB ALA A 13 -2.247 -5.924 -1.187 1.00 0.00 C ATOM 0 H ALA A 13 -2.789 -5.900 1.275 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.066 -8.001 -0.645 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.766 -6.061 -2.156 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.329 -5.970 -1.309 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.969 -4.953 -0.778 1.00 0.00 H new ATOM 191 N VAL A 14 0.163 -6.556 1.123 1.00 0.00 N ATOM 192 CA VAL A 14 1.627 -6.447 1.381 1.00 0.00 C ATOM 193 C VAL A 14 2.357 -7.642 0.761 1.00 0.00 C ATOM 194 O VAL A 14 3.392 -7.496 0.142 1.00 0.00 O ATOM 195 CB VAL A 14 1.875 -6.431 2.888 1.00 0.00 C ATOM 196 CG1 VAL A 14 1.539 -7.803 3.475 1.00 0.00 C ATOM 197 CG2 VAL A 14 3.347 -6.114 3.155 1.00 0.00 C ATOM 0 H VAL A 14 -0.434 -6.304 1.911 1.00 0.00 H new ATOM 0 HA VAL A 14 2.002 -5.526 0.934 1.00 0.00 H new ATOM 0 HB VAL A 14 1.246 -5.672 3.352 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.716 -7.792 4.550 1.00 0.00 H new ATOM 0 HG12 VAL A 14 0.492 -8.035 3.282 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.170 -8.561 3.011 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.527 -6.102 4.230 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.973 -6.876 2.691 1.00 0.00 H new ATOM 0 HG23 VAL A 14 3.591 -5.138 2.735 1.00 0.00 H new ATOM 207 N SER A 15 1.830 -8.824 0.928 1.00 0.00 N ATOM 208 CA SER A 15 2.501 -10.025 0.354 1.00 0.00 C ATOM 209 C SER A 15 1.711 -10.532 -0.855 1.00 0.00 C ATOM 210 O SER A 15 2.269 -11.071 -1.790 1.00 0.00 O ATOM 211 CB SER A 15 2.567 -11.125 1.414 1.00 0.00 C ATOM 212 OG SER A 15 3.925 -11.482 1.638 1.00 0.00 O ATOM 0 H SER A 15 0.965 -9.010 1.436 1.00 0.00 H new ATOM 0 HA SER A 15 3.510 -9.757 0.039 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.112 -10.779 2.342 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.999 -11.996 1.086 1.00 0.00 H new ATOM 0 HG SER A 15 3.970 -12.186 2.318 1.00 0.00 H new ATOM 218 N ALA A 16 0.415 -10.368 -0.843 1.00 0.00 N ATOM 219 CA ALA A 16 -0.407 -10.845 -1.992 1.00 0.00 C ATOM 220 C ALA A 16 0.281 -10.467 -3.304 1.00 0.00 C ATOM 221 O ALA A 16 0.280 -11.222 -4.256 1.00 0.00 O ATOM 222 CB ALA A 16 -1.791 -10.194 -1.937 1.00 0.00 C ATOM 0 H ALA A 16 -0.109 -9.925 -0.088 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.513 -11.928 -1.936 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.391 -10.543 -2.777 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.283 -10.464 -1.003 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.686 -9.110 -1.992 1.00 0.00 H new ATOM 228 N SER A 17 0.869 -9.303 -3.364 1.00 0.00 N ATOM 229 CA SER A 17 1.556 -8.881 -4.617 1.00 0.00 C ATOM 230 C SER A 17 2.808 -9.736 -4.825 1.00 0.00 C ATOM 231 O SER A 17 3.647 -9.847 -3.954 1.00 0.00 O ATOM 232 CB SER A 17 1.955 -7.409 -4.508 1.00 0.00 C ATOM 233 OG SER A 17 0.816 -6.595 -4.754 1.00 0.00 O ATOM 0 H SER A 17 0.903 -8.627 -2.601 1.00 0.00 H new ATOM 0 HA SER A 17 0.882 -9.013 -5.464 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.357 -7.202 -3.516 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.742 -7.179 -5.226 1.00 0.00 H new ATOM 0 HG SER A 17 1.081 -5.651 -4.748 1.00 0.00 H new ATOM 239 N LYS A 18 2.940 -10.344 -5.973 1.00 0.00 N ATOM 240 CA LYS A 18 4.138 -11.191 -6.233 1.00 0.00 C ATOM 241 C LYS A 18 5.301 -10.306 -6.685 1.00 0.00 C ATOM 242 O LYS A 18 5.690 -10.314 -7.836 1.00 0.00 O ATOM 243 CB LYS A 18 3.817 -12.207 -7.331 1.00 0.00 C ATOM 244 CG LYS A 18 2.659 -13.100 -6.878 1.00 0.00 C ATOM 245 CD LYS A 18 3.106 -14.563 -6.896 1.00 0.00 C ATOM 246 CE LYS A 18 1.936 -15.447 -7.333 1.00 0.00 C ATOM 247 NZ LYS A 18 2.048 -16.779 -6.675 1.00 0.00 N ATOM 0 H LYS A 18 2.271 -10.291 -6.741 1.00 0.00 H new ATOM 0 HA LYS A 18 4.414 -11.717 -5.319 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.552 -11.690 -8.253 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.696 -12.815 -7.547 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.340 -12.819 -5.875 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.801 -12.963 -7.536 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.946 -14.690 -7.579 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.452 -14.861 -5.906 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.990 -14.976 -7.066 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.939 -15.563 -8.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.253 -17.381 -6.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.944 -17.228 -6.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.025 -16.659 -5.642 1.00 0.00 H new ATOM 261 N GLU A 19 5.860 -9.541 -5.787 1.00 0.00 N ATOM 262 CA GLU A 19 6.996 -8.655 -6.167 1.00 0.00 C ATOM 263 C GLU A 19 7.970 -8.538 -4.993 1.00 0.00 C ATOM 264 O GLU A 19 7.702 -9.000 -3.901 1.00 0.00 O ATOM 265 CB GLU A 19 6.460 -7.268 -6.525 1.00 0.00 C ATOM 266 CG GLU A 19 7.210 -6.731 -7.744 1.00 0.00 C ATOM 267 CD GLU A 19 6.203 -6.292 -8.809 1.00 0.00 C ATOM 268 OE1 GLU A 19 5.167 -6.928 -8.915 1.00 0.00 O ATOM 269 OE2 GLU A 19 6.487 -5.329 -9.502 1.00 0.00 O ATOM 0 H GLU A 19 5.579 -9.492 -4.808 1.00 0.00 H new ATOM 0 HA GLU A 19 7.515 -9.079 -7.027 1.00 0.00 H new ATOM 0 HB2 GLU A 19 5.392 -7.323 -6.737 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.583 -6.590 -5.681 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.840 -5.890 -7.455 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.869 -7.500 -8.147 1.00 0.00 H new ATOM 276 N ARG A 20 9.099 -7.920 -5.210 1.00 0.00 N ATOM 277 CA ARG A 20 10.092 -7.768 -4.109 1.00 0.00 C ATOM 278 C ARG A 20 10.429 -6.286 -3.928 1.00 0.00 C ATOM 279 O ARG A 20 11.566 -5.921 -3.705 1.00 0.00 O ATOM 280 CB ARG A 20 11.365 -8.540 -4.461 1.00 0.00 C ATOM 281 CG ARG A 20 11.849 -8.120 -5.850 1.00 0.00 C ATOM 282 CD ARG A 20 11.784 -9.321 -6.795 1.00 0.00 C ATOM 283 NE ARG A 20 11.518 -8.848 -8.183 1.00 0.00 N ATOM 284 CZ ARG A 20 12.367 -8.055 -8.776 1.00 0.00 C ATOM 285 NH1 ARG A 20 13.643 -8.330 -8.754 1.00 0.00 N ATOM 286 NH2 ARG A 20 11.942 -6.985 -9.392 1.00 0.00 N ATOM 0 H ARG A 20 9.377 -7.513 -6.103 1.00 0.00 H new ATOM 0 HA ARG A 20 9.672 -8.162 -3.183 1.00 0.00 H new ATOM 0 HB2 ARG A 20 12.139 -8.343 -3.720 1.00 0.00 H new ATOM 0 HB3 ARG A 20 11.170 -9.612 -4.441 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.230 -7.308 -6.233 1.00 0.00 H new ATOM 0 HG3 ARG A 20 12.870 -7.743 -5.793 1.00 0.00 H new ATOM 0 HD2 ARG A 20 12.722 -9.875 -6.762 1.00 0.00 H new ATOM 0 HD3 ARG A 20 10.998 -10.006 -6.476 1.00 0.00 H new ATOM 0 HE ARG A 20 10.672 -9.144 -8.669 1.00 0.00 H new ATOM 0 HH11 ARG A 20 13.976 -9.165 -8.273 1.00 0.00 H new ATOM 0 HH12 ARG A 20 14.306 -7.710 -9.218 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.945 -6.769 -9.410 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.607 -6.365 -9.855 1.00 0.00 H new ATOM 300 N LYS A 21 9.449 -5.430 -4.024 1.00 0.00 N ATOM 301 CA LYS A 21 9.716 -3.972 -3.857 1.00 0.00 C ATOM 302 C LYS A 21 8.403 -3.205 -3.655 1.00 0.00 C ATOM 303 O LYS A 21 8.331 -2.017 -3.900 1.00 0.00 O ATOM 304 CB LYS A 21 10.430 -3.439 -5.100 1.00 0.00 C ATOM 305 CG LYS A 21 9.671 -3.874 -6.354 1.00 0.00 C ATOM 306 CD LYS A 21 10.578 -3.719 -7.576 1.00 0.00 C ATOM 307 CE LYS A 21 9.856 -2.902 -8.650 1.00 0.00 C ATOM 308 NZ LYS A 21 9.513 -1.557 -8.106 1.00 0.00 N ATOM 0 H LYS A 21 8.477 -5.676 -4.210 1.00 0.00 H new ATOM 0 HA LYS A 21 10.345 -3.829 -2.979 1.00 0.00 H new ATOM 0 HB2 LYS A 21 10.491 -2.351 -5.058 1.00 0.00 H new ATOM 0 HB3 LYS A 21 11.453 -3.814 -5.133 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.348 -4.911 -6.256 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.772 -3.270 -6.476 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.507 -3.225 -7.292 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.846 -4.700 -7.969 1.00 0.00 H new ATOM 0 HE2 LYS A 21 10.490 -2.799 -9.531 1.00 0.00 H new ATOM 0 HE3 LYS A 21 8.951 -3.419 -8.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.502 -1.368 -8.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 9.720 -1.531 -7.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.078 -0.832 -8.592 1.00 0.00 H new ATOM 322 N GLY A 22 7.375 -3.871 -3.194 1.00 0.00 N ATOM 323 CA GLY A 22 6.067 -3.193 -2.957 1.00 0.00 C ATOM 324 C GLY A 22 5.799 -2.122 -4.019 1.00 0.00 C ATOM 325 O GLY A 22 5.120 -1.148 -3.763 1.00 0.00 O ATOM 0 H GLY A 22 7.388 -4.866 -2.970 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.264 -3.930 -2.969 1.00 0.00 H new ATOM 0 HA3 GLY A 22 6.065 -2.736 -1.967 1.00 0.00 H new ATOM 329 N LEU A 23 6.316 -2.286 -5.205 1.00 0.00 N ATOM 330 CA LEU A 23 6.073 -1.264 -6.264 1.00 0.00 C ATOM 331 C LEU A 23 6.313 0.134 -5.695 1.00 0.00 C ATOM 332 O LEU A 23 6.752 0.299 -4.574 1.00 0.00 O ATOM 333 CB LEU A 23 4.618 -1.348 -6.726 1.00 0.00 C ATOM 334 CG LEU A 23 4.493 -2.337 -7.879 1.00 0.00 C ATOM 335 CD1 LEU A 23 5.320 -1.848 -9.072 1.00 0.00 C ATOM 336 CD2 LEU A 23 5.002 -3.706 -7.429 1.00 0.00 C ATOM 0 H LEU A 23 6.893 -3.078 -5.487 1.00 0.00 H new ATOM 0 HA LEU A 23 6.749 -1.451 -7.099 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.982 -1.661 -5.898 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.270 -0.364 -7.041 1.00 0.00 H new ATOM 0 HG LEU A 23 3.447 -2.416 -8.177 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.228 -2.558 -9.894 1.00 0.00 H new ATOM 0 HD12 LEU A 23 4.955 -0.872 -9.392 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.367 -1.765 -8.780 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.914 -4.415 -8.252 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.047 -3.625 -7.130 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.409 -4.055 -6.584 1.00 0.00 H new ATOM 348 N SER A 24 5.997 1.142 -6.458 1.00 0.00 N ATOM 349 CA SER A 24 6.168 2.536 -5.969 1.00 0.00 C ATOM 350 C SER A 24 4.783 3.082 -5.629 1.00 0.00 C ATOM 351 O SER A 24 4.344 4.076 -6.169 1.00 0.00 O ATOM 352 CB SER A 24 6.810 3.390 -7.063 1.00 0.00 C ATOM 353 OG SER A 24 8.224 3.259 -6.990 1.00 0.00 O ATOM 0 H SER A 24 5.626 1.059 -7.404 1.00 0.00 H new ATOM 0 HA SER A 24 6.812 2.559 -5.090 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.454 3.074 -8.043 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.523 4.434 -6.941 1.00 0.00 H new ATOM 0 HG SER A 24 8.640 3.804 -7.691 1.00 0.00 H new ATOM 359 N LEU A 25 4.080 2.405 -4.759 1.00 0.00 N ATOM 360 CA LEU A 25 2.699 2.839 -4.390 1.00 0.00 C ATOM 361 C LEU A 25 1.761 2.469 -5.532 1.00 0.00 C ATOM 362 O LEU A 25 1.145 3.315 -6.147 1.00 0.00 O ATOM 363 CB LEU A 25 2.657 4.351 -4.166 1.00 0.00 C ATOM 364 CG LEU A 25 3.809 4.766 -3.251 1.00 0.00 C ATOM 365 CD1 LEU A 25 4.622 5.877 -3.919 1.00 0.00 C ATOM 366 CD2 LEU A 25 3.245 5.277 -1.924 1.00 0.00 C ATOM 0 H LEU A 25 4.406 1.563 -4.284 1.00 0.00 H new ATOM 0 HA LEU A 25 2.394 2.345 -3.468 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.731 4.872 -5.120 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.704 4.636 -3.720 1.00 0.00 H new ATOM 0 HG LEU A 25 4.453 3.906 -3.068 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.443 6.171 -3.265 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.024 5.515 -4.865 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.979 6.738 -4.104 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.065 5.573 -1.270 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.600 6.136 -2.109 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.667 4.486 -1.446 1.00 0.00 H new ATOM 378 N ALA A 26 1.661 1.205 -5.826 1.00 0.00 N ATOM 379 CA ALA A 26 0.772 0.768 -6.936 1.00 0.00 C ATOM 380 C ALA A 26 0.407 -0.712 -6.771 1.00 0.00 C ATOM 381 O ALA A 26 -0.697 -1.046 -6.434 1.00 0.00 O ATOM 382 CB ALA A 26 1.486 0.975 -8.272 1.00 0.00 C ATOM 0 H ALA A 26 2.157 0.454 -5.345 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.142 1.361 -6.914 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.835 0.655 -9.086 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.729 2.030 -8.395 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.404 0.387 -8.289 1.00 0.00 H new ATOM 388 N ALA A 27 1.304 -1.615 -7.012 1.00 0.00 N ATOM 389 CA ALA A 27 0.925 -3.050 -6.860 1.00 0.00 C ATOM 390 C ALA A 27 0.282 -3.267 -5.491 1.00 0.00 C ATOM 391 O ALA A 27 -0.500 -4.176 -5.299 1.00 0.00 O ATOM 392 CB ALA A 27 2.160 -3.941 -6.979 1.00 0.00 C ATOM 0 H ALA A 27 2.265 -1.435 -7.302 1.00 0.00 H new ATOM 0 HA ALA A 27 0.219 -3.310 -7.648 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.868 -4.985 -6.866 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.620 -3.797 -7.957 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.875 -3.678 -6.199 1.00 0.00 H new ATOM 398 N LEU A 28 0.617 -2.451 -4.535 1.00 0.00 N ATOM 399 CA LEU A 28 0.035 -2.626 -3.170 1.00 0.00 C ATOM 400 C LEU A 28 -1.400 -2.089 -3.113 1.00 0.00 C ATOM 401 O LEU A 28 -2.358 -2.837 -3.083 1.00 0.00 O ATOM 402 CB LEU A 28 0.895 -1.872 -2.139 1.00 0.00 C ATOM 403 CG LEU A 28 0.076 -1.576 -0.868 1.00 0.00 C ATOM 404 CD1 LEU A 28 -0.636 -2.851 -0.403 1.00 0.00 C ATOM 405 CD2 LEU A 28 1.004 -1.088 0.244 1.00 0.00 C ATOM 0 H LEU A 28 1.267 -1.671 -4.635 1.00 0.00 H new ATOM 0 HA LEU A 28 0.022 -3.691 -2.940 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.772 -2.467 -1.884 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.257 -0.939 -2.571 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.661 -0.805 -1.093 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.214 -2.638 0.496 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.304 -3.202 -1.189 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.103 -3.622 -0.185 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.420 -0.880 1.140 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.744 -1.857 0.464 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.511 -0.178 -0.078 1.00 0.00 H new ATOM 417 N LYS A 29 -1.542 -0.797 -3.054 1.00 0.00 N ATOM 418 CA LYS A 29 -2.907 -0.194 -2.947 1.00 0.00 C ATOM 419 C LYS A 29 -3.680 -0.409 -4.257 1.00 0.00 C ATOM 420 O LYS A 29 -4.883 -0.572 -4.253 1.00 0.00 O ATOM 421 CB LYS A 29 -2.830 1.313 -2.596 1.00 0.00 C ATOM 422 CG LYS A 29 -1.401 1.733 -2.175 1.00 0.00 C ATOM 423 CD LYS A 29 -0.543 2.065 -3.419 1.00 0.00 C ATOM 424 CE LYS A 29 -1.373 2.793 -4.487 1.00 0.00 C ATOM 425 NZ LYS A 29 -2.099 3.946 -3.879 1.00 0.00 N ATOM 0 H LYS A 29 -0.773 -0.127 -3.075 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.440 -0.693 -2.137 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.143 1.903 -3.457 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.527 1.534 -1.787 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.450 2.601 -1.518 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.932 0.929 -1.607 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.303 2.687 -3.125 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.133 1.146 -3.837 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.721 3.145 -5.287 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -2.086 2.102 -4.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -3.010 4.078 -4.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.268 3.757 -2.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.526 4.808 -3.978 1.00 0.00 H new ATOM 439 N LYS A 30 -3.001 -0.444 -5.372 1.00 0.00 N ATOM 440 CA LYS A 30 -3.697 -0.689 -6.669 1.00 0.00 C ATOM 441 C LYS A 30 -4.206 -2.129 -6.669 1.00 0.00 C ATOM 442 O LYS A 30 -5.064 -2.501 -7.444 1.00 0.00 O ATOM 443 CB LYS A 30 -2.718 -0.498 -7.833 1.00 0.00 C ATOM 444 CG LYS A 30 -3.496 -0.261 -9.128 1.00 0.00 C ATOM 445 CD LYS A 30 -2.668 -0.758 -10.316 1.00 0.00 C ATOM 446 CE LYS A 30 -3.601 -1.281 -11.410 1.00 0.00 C ATOM 447 NZ LYS A 30 -2.849 -2.210 -12.300 1.00 0.00 N ATOM 0 H LYS A 30 -1.992 -0.313 -5.441 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.524 0.012 -6.787 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -2.060 0.348 -7.633 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.083 -1.378 -7.935 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -4.452 -0.784 -9.092 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -3.718 0.800 -9.243 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -2.052 0.052 -10.706 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.990 -1.548 -9.994 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.451 -1.797 -10.963 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.002 -0.449 -11.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.482 -2.566 -13.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.052 -1.704 -12.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -2.487 -3.009 -11.741 1.00 0.00 H new ATOM 461 N ALA A 31 -3.696 -2.932 -5.773 1.00 0.00 N ATOM 462 CA ALA A 31 -4.157 -4.340 -5.676 1.00 0.00 C ATOM 463 C ALA A 31 -5.426 -4.336 -4.836 1.00 0.00 C ATOM 464 O ALA A 31 -6.230 -5.245 -4.874 1.00 0.00 O ATOM 465 CB ALA A 31 -3.083 -5.185 -4.988 1.00 0.00 C ATOM 0 H ALA A 31 -2.975 -2.667 -5.102 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.345 -4.761 -6.664 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.423 -6.218 -4.917 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.161 -5.145 -5.568 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.899 -4.795 -3.987 1.00 0.00 H new ATOM 471 N LEU A 32 -5.598 -3.287 -4.081 1.00 0.00 N ATOM 472 CA LEU A 32 -6.793 -3.143 -3.218 1.00 0.00 C ATOM 473 C LEU A 32 -8.001 -2.794 -4.046 1.00 0.00 C ATOM 474 O LEU A 32 -9.071 -2.563 -3.517 1.00 0.00 O ATOM 475 CB LEU A 32 -6.546 -2.028 -2.226 1.00 0.00 C ATOM 476 CG LEU A 32 -5.471 -2.479 -1.269 1.00 0.00 C ATOM 477 CD1 LEU A 32 -5.210 -1.386 -0.249 1.00 0.00 C ATOM 478 CD2 LEU A 32 -5.972 -3.730 -0.570 1.00 0.00 C ATOM 0 H LEU A 32 -4.942 -2.508 -4.028 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.974 -4.086 -2.702 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.237 -1.120 -2.744 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.462 -1.791 -1.685 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.542 -2.687 -1.800 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.433 -1.712 0.443 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.884 -0.481 -0.761 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.126 -1.179 0.305 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.216 -4.083 0.131 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.890 -3.501 -0.029 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -6.171 -4.505 -1.310 1.00 0.00 H new ATOM 490 N ALA A 33 -7.865 -2.770 -5.336 1.00 0.00 N ATOM 491 CA ALA A 33 -9.042 -2.460 -6.173 1.00 0.00 C ATOM 492 C ALA A 33 -10.243 -3.264 -5.647 1.00 0.00 C ATOM 493 O ALA A 33 -11.383 -2.931 -5.905 1.00 0.00 O ATOM 494 CB ALA A 33 -8.756 -2.841 -7.628 1.00 0.00 C ATOM 0 H ALA A 33 -6.998 -2.950 -5.842 1.00 0.00 H new ATOM 0 HA ALA A 33 -9.262 -1.393 -6.128 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -9.627 -2.611 -8.242 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -7.897 -2.276 -7.990 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -8.541 -3.908 -7.689 1.00 0.00 H new ATOM 500 N ALA A 34 -9.990 -4.320 -4.896 1.00 0.00 N ATOM 501 CA ALA A 34 -11.107 -5.138 -4.342 1.00 0.00 C ATOM 502 C ALA A 34 -12.167 -5.322 -5.416 1.00 0.00 C ATOM 503 O ALA A 34 -13.338 -5.482 -5.135 1.00 0.00 O ATOM 504 CB ALA A 34 -11.715 -4.421 -3.134 1.00 0.00 C ATOM 0 H ALA A 34 -9.055 -4.643 -4.648 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.731 -6.112 -4.028 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -12.531 -5.019 -2.729 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -10.951 -4.285 -2.369 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.096 -3.448 -3.443 1.00 0.00 H new ATOM 510 N GLY A 35 -11.759 -5.292 -6.650 1.00 0.00 N ATOM 511 CA GLY A 35 -12.739 -5.452 -7.762 1.00 0.00 C ATOM 512 C GLY A 35 -13.358 -4.087 -8.075 1.00 0.00 C ATOM 513 O GLY A 35 -13.186 -3.548 -9.150 1.00 0.00 O ATOM 0 H GLY A 35 -10.790 -5.164 -6.940 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -12.244 -5.854 -8.646 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -13.516 -6.163 -7.481 1.00 0.00 H new ATOM 517 N GLY A 36 -14.061 -3.515 -7.134 1.00 0.00 N ATOM 518 CA GLY A 36 -14.670 -2.176 -7.365 1.00 0.00 C ATOM 519 C GLY A 36 -13.617 -1.119 -7.042 1.00 0.00 C ATOM 520 O GLY A 36 -13.281 -0.285 -7.859 1.00 0.00 O ATOM 0 H GLY A 36 -14.239 -3.919 -6.215 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -15.001 -2.081 -8.399 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -15.550 -2.043 -6.735 1.00 0.00 H new ATOM 524 N TYR A 37 -13.076 -1.171 -5.856 1.00 0.00 N ATOM 525 CA TYR A 37 -12.019 -0.198 -5.471 1.00 0.00 C ATOM 526 C TYR A 37 -11.032 -0.073 -6.623 1.00 0.00 C ATOM 527 O TYR A 37 -10.818 -1.016 -7.359 1.00 0.00 O ATOM 528 CB TYR A 37 -11.268 -0.739 -4.248 1.00 0.00 C ATOM 529 CG TYR A 37 -11.716 -0.019 -3.000 1.00 0.00 C ATOM 530 CD1 TYR A 37 -12.967 0.606 -2.957 1.00 0.00 C ATOM 531 CD2 TYR A 37 -10.877 0.016 -1.883 1.00 0.00 C ATOM 532 CE1 TYR A 37 -13.379 1.267 -1.794 1.00 0.00 C ATOM 533 CE2 TYR A 37 -11.286 0.678 -0.723 1.00 0.00 C ATOM 534 CZ TYR A 37 -12.538 1.304 -0.676 1.00 0.00 C ATOM 535 OH TYR A 37 -12.942 1.954 0.472 1.00 0.00 O ATOM 0 H TYR A 37 -13.323 -1.849 -5.135 1.00 0.00 H new ATOM 0 HA TYR A 37 -12.466 0.769 -5.243 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -11.450 -1.809 -4.144 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -10.194 -0.610 -4.385 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -13.615 0.578 -3.821 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -9.912 -0.469 -1.917 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -14.345 1.748 -1.759 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -10.636 0.707 0.139 1.00 0.00 H new ATOM 0 HH TYR A 37 -12.240 1.883 1.152 1.00 0.00 H new ATOM 545 N ASP A 38 -10.407 1.058 -6.796 1.00 0.00 N ATOM 546 CA ASP A 38 -9.431 1.162 -7.890 1.00 0.00 C ATOM 547 C ASP A 38 -8.375 2.196 -7.524 1.00 0.00 C ATOM 548 O ASP A 38 -7.645 2.652 -8.380 1.00 0.00 O ATOM 549 CB ASP A 38 -10.145 1.560 -9.189 1.00 0.00 C ATOM 550 CG ASP A 38 -10.976 2.821 -8.952 1.00 0.00 C ATOM 551 OD1 ASP A 38 -11.027 3.270 -7.818 1.00 0.00 O ATOM 552 OD2 ASP A 38 -11.551 3.315 -9.908 1.00 0.00 O ATOM 0 H ASP A 38 -10.534 1.898 -6.231 1.00 0.00 H new ATOM 0 HA ASP A 38 -8.947 0.198 -8.044 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -9.414 1.737 -9.978 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -10.788 0.747 -9.526 1.00 0.00 H new ATOM 557 N VAL A 39 -8.291 2.595 -6.261 1.00 0.00 N ATOM 558 CA VAL A 39 -7.291 3.609 -5.879 1.00 0.00 C ATOM 559 C VAL A 39 -7.356 4.707 -6.925 1.00 0.00 C ATOM 560 O VAL A 39 -6.397 5.395 -7.211 1.00 0.00 O ATOM 561 CB VAL A 39 -5.905 2.954 -5.833 1.00 0.00 C ATOM 562 CG1 VAL A 39 -6.011 1.602 -5.130 1.00 0.00 C ATOM 563 CG2 VAL A 39 -5.378 2.728 -7.253 1.00 0.00 C ATOM 0 H VAL A 39 -8.877 2.252 -5.500 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.487 4.029 -4.893 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.223 3.611 -5.294 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.028 1.132 -5.095 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.380 1.748 -4.115 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.701 0.960 -5.678 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.394 2.263 -7.206 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -6.062 2.076 -7.796 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.303 3.685 -7.770 1.00 0.00 H new ATOM 573 N GLU A 40 -8.513 4.843 -7.508 1.00 0.00 N ATOM 574 CA GLU A 40 -8.719 5.847 -8.556 1.00 0.00 C ATOM 575 C GLU A 40 -9.996 6.609 -8.242 1.00 0.00 C ATOM 576 O GLU A 40 -9.972 7.682 -7.673 1.00 0.00 O ATOM 577 CB GLU A 40 -8.858 5.131 -9.895 1.00 0.00 C ATOM 578 CG GLU A 40 -7.722 5.555 -10.826 1.00 0.00 C ATOM 579 CD GLU A 40 -8.308 6.124 -12.119 1.00 0.00 C ATOM 580 OE1 GLU A 40 -9.474 5.875 -12.378 1.00 0.00 O ATOM 581 OE2 GLU A 40 -7.581 6.800 -12.828 1.00 0.00 O ATOM 0 H GLU A 40 -9.336 4.282 -7.288 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.879 6.540 -8.602 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.835 4.052 -9.745 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.820 5.369 -10.348 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.097 6.303 -10.338 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -7.082 4.701 -11.049 1.00 0.00 H new ATOM 588 N LYS A 41 -11.118 6.038 -8.569 1.00 0.00 N ATOM 589 CA LYS A 41 -12.398 6.706 -8.241 1.00 0.00 C ATOM 590 C LYS A 41 -12.548 6.677 -6.720 1.00 0.00 C ATOM 591 O LYS A 41 -13.399 7.333 -6.153 1.00 0.00 O ATOM 592 CB LYS A 41 -13.561 5.954 -8.893 1.00 0.00 C ATOM 593 CG LYS A 41 -13.924 6.631 -10.216 1.00 0.00 C ATOM 594 CD LYS A 41 -14.111 5.569 -11.301 1.00 0.00 C ATOM 595 CE LYS A 41 -13.747 6.162 -12.664 1.00 0.00 C ATOM 596 NZ LYS A 41 -14.352 7.518 -12.794 1.00 0.00 N ATOM 0 H LYS A 41 -11.202 5.141 -9.047 1.00 0.00 H new ATOM 0 HA LYS A 41 -12.405 7.731 -8.612 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -13.284 4.914 -9.067 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -14.423 5.947 -8.227 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.839 7.212 -10.100 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -13.138 7.328 -10.507 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.483 4.704 -11.090 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -15.143 5.219 -11.309 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.664 6.224 -12.768 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -14.107 5.513 -13.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.498 7.738 -13.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -15.266 7.539 -12.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.714 8.224 -12.374 1.00 0.00 H new ATOM 610 N ASN A 42 -11.704 5.923 -6.057 1.00 0.00 N ATOM 611 CA ASN A 42 -11.759 5.845 -4.584 1.00 0.00 C ATOM 612 C ASN A 42 -10.327 5.951 -4.087 1.00 0.00 C ATOM 613 O ASN A 42 -9.977 5.456 -3.037 1.00 0.00 O ATOM 614 CB ASN A 42 -12.360 4.504 -4.163 1.00 0.00 C ATOM 615 CG ASN A 42 -13.356 4.040 -5.231 1.00 0.00 C ATOM 616 OD1 ASN A 42 -14.390 4.650 -5.419 1.00 0.00 O ATOM 617 ND2 ASN A 42 -13.087 2.985 -5.945 1.00 0.00 N ATOM 0 H ASN A 42 -10.975 5.356 -6.489 1.00 0.00 H new ATOM 0 HA ASN A 42 -12.377 6.640 -4.167 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -11.571 3.762 -4.037 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -12.861 4.603 -3.200 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -13.744 2.672 -6.660 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -12.220 2.471 -5.789 1.00 0.00 H new ATOM 624 N ASN A 43 -9.493 6.601 -4.858 1.00 0.00 N ATOM 625 CA ASN A 43 -8.072 6.762 -4.464 1.00 0.00 C ATOM 626 C ASN A 43 -8.005 7.629 -3.214 1.00 0.00 C ATOM 627 O ASN A 43 -6.972 7.764 -2.596 1.00 0.00 O ATOM 628 CB ASN A 43 -7.301 7.445 -5.594 1.00 0.00 C ATOM 629 CG ASN A 43 -5.800 7.278 -5.358 1.00 0.00 C ATOM 630 OD1 ASN A 43 -5.319 6.177 -5.179 1.00 0.00 O ATOM 631 ND2 ASN A 43 -5.033 8.333 -5.347 1.00 0.00 N ATOM 0 H ASN A 43 -9.743 7.028 -5.750 1.00 0.00 H new ATOM 0 HA ASN A 43 -7.631 5.785 -4.266 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -7.580 7.010 -6.554 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -7.558 8.503 -5.637 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -4.030 8.233 -5.188 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -5.436 9.258 -5.497 1.00 0.00 H new ATOM 638 N SER A 44 -9.100 8.223 -2.835 1.00 0.00 N ATOM 639 CA SER A 44 -9.090 9.074 -1.624 1.00 0.00 C ATOM 640 C SER A 44 -9.030 8.181 -0.390 1.00 0.00 C ATOM 641 O SER A 44 -8.904 8.659 0.720 1.00 0.00 O ATOM 642 CB SER A 44 -10.358 9.923 -1.578 1.00 0.00 C ATOM 643 OG SER A 44 -10.008 11.298 -1.673 1.00 0.00 O ATOM 0 H SER A 44 -9.998 8.154 -3.313 1.00 0.00 H new ATOM 0 HA SER A 44 -8.221 9.732 -1.647 1.00 0.00 H new ATOM 0 HB2 SER A 44 -11.023 9.648 -2.397 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.900 9.737 -0.651 1.00 0.00 H new ATOM 0 HG SER A 44 -10.821 11.845 -1.645 1.00 0.00 H new ATOM 649 N ARG A 45 -9.101 6.883 -0.561 1.00 0.00 N ATOM 650 CA ARG A 45 -9.027 6.000 0.636 1.00 0.00 C ATOM 651 C ARG A 45 -7.791 5.116 0.526 1.00 0.00 C ATOM 652 O ARG A 45 -7.287 4.610 1.507 1.00 0.00 O ATOM 653 CB ARG A 45 -10.279 5.129 0.754 1.00 0.00 C ATOM 654 CG ARG A 45 -11.483 6.010 1.099 1.00 0.00 C ATOM 655 CD ARG A 45 -11.623 6.115 2.619 1.00 0.00 C ATOM 656 NE ARG A 45 -12.811 5.332 3.064 1.00 0.00 N ATOM 657 CZ ARG A 45 -12.793 4.713 4.213 1.00 0.00 C ATOM 658 NH1 ARG A 45 -13.135 5.346 5.302 1.00 0.00 N ATOM 659 NH2 ARG A 45 -12.432 3.460 4.272 1.00 0.00 N ATOM 0 H ARG A 45 -9.205 6.408 -1.458 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.963 6.622 1.529 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -10.458 4.601 -0.183 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -10.137 4.371 1.524 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -11.356 7.002 0.666 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -12.391 5.588 0.668 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.723 5.738 3.105 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.731 7.159 2.914 1.00 0.00 H new ATOM 0 HE ARG A 45 -13.639 5.280 2.470 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -13.417 6.325 5.256 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -13.121 4.861 6.199 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -12.164 2.966 3.421 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -12.417 2.975 5.169 1.00 0.00 H new ATOM 673 N ILE A 46 -7.290 4.937 -0.661 1.00 0.00 N ATOM 674 CA ILE A 46 -6.078 4.106 -0.835 1.00 0.00 C ATOM 675 C ILE A 46 -4.848 4.996 -0.632 1.00 0.00 C ATOM 676 O ILE A 46 -3.855 4.579 -0.075 1.00 0.00 O ATOM 677 CB ILE A 46 -6.095 3.494 -2.242 1.00 0.00 C ATOM 678 CG1 ILE A 46 -6.518 2.026 -2.128 1.00 0.00 C ATOM 679 CG2 ILE A 46 -4.699 3.574 -2.876 1.00 0.00 C ATOM 680 CD1 ILE A 46 -8.009 1.894 -2.441 1.00 0.00 C ATOM 0 H ILE A 46 -7.672 5.333 -1.520 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.048 3.295 -0.108 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.795 4.045 -2.870 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.936 1.415 -2.818 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.313 1.655 -1.124 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -4.727 3.136 -3.874 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.390 4.617 -2.946 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.987 3.026 -2.259 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -8.307 0.849 -2.359 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -8.584 2.492 -1.733 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -8.201 2.248 -3.454 1.00 0.00 H new ATOM 692 N LYS A 47 -4.915 6.223 -1.070 1.00 0.00 N ATOM 693 CA LYS A 47 -3.757 7.141 -0.882 1.00 0.00 C ATOM 694 C LYS A 47 -3.775 7.662 0.559 1.00 0.00 C ATOM 695 O LYS A 47 -2.939 8.445 0.964 1.00 0.00 O ATOM 696 CB LYS A 47 -3.857 8.312 -1.863 1.00 0.00 C ATOM 697 CG LYS A 47 -4.937 9.291 -1.392 1.00 0.00 C ATOM 698 CD LYS A 47 -5.244 10.291 -2.510 1.00 0.00 C ATOM 699 CE LYS A 47 -3.983 11.091 -2.838 1.00 0.00 C ATOM 700 NZ LYS A 47 -4.364 12.367 -3.508 1.00 0.00 N ATOM 0 H LYS A 47 -5.719 6.629 -1.549 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.825 6.608 -1.071 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.896 8.822 -1.934 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.097 7.944 -2.860 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.841 8.747 -1.118 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.600 9.819 -0.500 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.595 9.764 -3.398 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.044 10.964 -2.201 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.424 11.300 -1.926 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.328 10.509 -3.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.506 12.911 -3.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.880 12.157 -4.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.972 12.924 -2.874 1.00 0.00 H new ATOM 714 N LEU A 48 -4.716 7.200 1.339 1.00 0.00 N ATOM 715 CA LEU A 48 -4.804 7.616 2.763 1.00 0.00 C ATOM 716 C LEU A 48 -4.433 6.399 3.591 1.00 0.00 C ATOM 717 O LEU A 48 -3.653 6.470 4.521 1.00 0.00 O ATOM 718 CB LEU A 48 -6.234 8.051 3.092 1.00 0.00 C ATOM 719 CG LEU A 48 -6.367 9.559 2.891 1.00 0.00 C ATOM 720 CD1 LEU A 48 -5.571 10.290 3.973 1.00 0.00 C ATOM 721 CD2 LEU A 48 -5.818 9.938 1.514 1.00 0.00 C ATOM 0 H LEU A 48 -5.437 6.542 1.042 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.140 8.455 2.971 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.942 7.524 2.452 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.478 7.788 4.121 1.00 0.00 H new ATOM 0 HG LEU A 48 -7.417 9.843 2.957 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.666 11.366 3.830 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.958 10.019 4.955 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.521 10.006 3.906 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.912 11.014 1.368 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.768 9.654 1.450 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.383 9.417 0.741 1.00 0.00 H new ATOM 733 N GLY A 49 -4.954 5.263 3.214 1.00 0.00 N ATOM 734 CA GLY A 49 -4.600 4.013 3.923 1.00 0.00 C ATOM 735 C GLY A 49 -3.199 3.626 3.463 1.00 0.00 C ATOM 736 O GLY A 49 -2.518 2.847 4.094 1.00 0.00 O ATOM 0 H GLY A 49 -5.611 5.152 2.442 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.625 4.161 5.003 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -5.314 3.223 3.693 1.00 0.00 H new ATOM 740 N LEU A 50 -2.762 4.198 2.365 1.00 0.00 N ATOM 741 CA LEU A 50 -1.399 3.906 1.851 1.00 0.00 C ATOM 742 C LEU A 50 -0.458 4.961 2.400 1.00 0.00 C ATOM 743 O LEU A 50 0.517 4.663 3.059 1.00 0.00 O ATOM 744 CB LEU A 50 -1.379 3.966 0.331 1.00 0.00 C ATOM 745 CG LEU A 50 0.070 3.833 -0.163 1.00 0.00 C ATOM 746 CD1 LEU A 50 0.494 2.368 -0.166 1.00 0.00 C ATOM 747 CD2 LEU A 50 0.178 4.394 -1.580 1.00 0.00 C ATOM 0 H LEU A 50 -3.300 4.858 1.804 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.095 2.907 2.163 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.992 3.166 -0.084 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.808 4.907 -0.013 1.00 0.00 H new ATOM 0 HG LEU A 50 0.724 4.391 0.507 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.522 2.288 -0.518 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.424 1.967 0.845 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.161 1.801 -0.827 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.206 4.300 -1.931 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.484 3.838 -2.243 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.110 5.445 -1.578 1.00 0.00 H new ATOM 759 N LYS A 51 -0.767 6.207 2.173 1.00 0.00 N ATOM 760 CA LYS A 51 0.088 7.270 2.742 1.00 0.00 C ATOM 761 C LYS A 51 0.187 6.967 4.233 1.00 0.00 C ATOM 762 O LYS A 51 1.120 7.349 4.907 1.00 0.00 O ATOM 763 CB LYS A 51 -0.574 8.634 2.530 1.00 0.00 C ATOM 764 CG LYS A 51 0.405 9.747 2.910 1.00 0.00 C ATOM 765 CD LYS A 51 1.510 9.860 1.853 1.00 0.00 C ATOM 766 CE LYS A 51 0.895 10.042 0.461 1.00 0.00 C ATOM 767 NZ LYS A 51 -0.010 11.227 0.460 1.00 0.00 N ATOM 0 H LYS A 51 -1.565 6.527 1.625 1.00 0.00 H new ATOM 0 HA LYS A 51 1.070 7.298 2.270 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.878 8.744 1.489 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.477 8.709 3.135 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.126 10.695 2.995 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.844 9.538 3.886 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.160 10.704 2.085 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.132 8.965 1.870 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.683 10.174 -0.280 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.339 9.148 0.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.223 11.500 -0.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.894 10.989 0.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.455 12.020 0.947 1.00 0.00 H new ATOM 781 N SER A 52 -0.793 6.256 4.735 1.00 0.00 N ATOM 782 CA SER A 52 -0.808 5.878 6.167 1.00 0.00 C ATOM 783 C SER A 52 -0.251 4.461 6.342 1.00 0.00 C ATOM 784 O SER A 52 0.251 4.131 7.397 1.00 0.00 O ATOM 785 CB SER A 52 -2.243 5.928 6.693 1.00 0.00 C ATOM 786 OG SER A 52 -2.237 5.709 8.098 1.00 0.00 O ATOM 0 H SER A 52 -1.592 5.920 4.198 1.00 0.00 H new ATOM 0 HA SER A 52 -0.187 6.578 6.726 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.692 6.895 6.466 1.00 0.00 H new ATOM 0 HB3 SER A 52 -2.850 5.170 6.198 1.00 0.00 H new ATOM 0 HG SER A 52 -3.155 5.742 8.438 1.00 0.00 H new ATOM 792 N LEU A 53 -0.310 3.599 5.344 1.00 0.00 N ATOM 793 CA LEU A 53 0.261 2.245 5.577 1.00 0.00 C ATOM 794 C LEU A 53 1.777 2.330 5.457 1.00 0.00 C ATOM 795 O LEU A 53 2.503 2.019 6.378 1.00 0.00 O ATOM 796 CB LEU A 53 -0.276 1.243 4.557 1.00 0.00 C ATOM 797 CG LEU A 53 -1.211 0.267 5.271 1.00 0.00 C ATOM 798 CD1 LEU A 53 -0.431 -0.494 6.347 1.00 0.00 C ATOM 799 CD2 LEU A 53 -2.349 1.047 5.929 1.00 0.00 C ATOM 0 H LEU A 53 -0.711 3.771 4.422 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.025 1.904 6.572 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.809 1.763 3.762 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.547 0.703 4.089 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.619 -0.440 4.549 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.098 -1.190 6.856 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.385 -1.047 5.882 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.024 0.213 7.070 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.018 0.354 6.439 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.937 1.752 6.651 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.905 1.592 5.166 1.00 0.00 H new ATOM 811 N VAL A 54 2.258 2.744 4.324 1.00 0.00 N ATOM 812 CA VAL A 54 3.728 2.843 4.131 1.00 0.00 C ATOM 813 C VAL A 54 4.329 3.931 5.032 1.00 0.00 C ATOM 814 O VAL A 54 5.532 4.034 5.162 1.00 0.00 O ATOM 815 CB VAL A 54 3.995 3.163 2.665 1.00 0.00 C ATOM 816 CG1 VAL A 54 5.391 3.774 2.491 1.00 0.00 C ATOM 817 CG2 VAL A 54 3.900 1.878 1.840 1.00 0.00 C ATOM 0 H VAL A 54 1.695 3.020 3.519 1.00 0.00 H new ATOM 0 HA VAL A 54 4.197 1.897 4.403 1.00 0.00 H new ATOM 0 HB VAL A 54 3.251 3.883 2.323 1.00 0.00 H new ATOM 0 HG11 VAL A 54 5.563 3.995 1.438 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.460 4.694 3.071 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.144 3.067 2.840 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.091 2.104 0.791 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.639 1.161 2.197 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.902 1.452 1.944 1.00 0.00 H new ATOM 827 N SER A 55 3.521 4.743 5.656 1.00 0.00 N ATOM 828 CA SER A 55 4.089 5.807 6.535 1.00 0.00 C ATOM 829 C SER A 55 3.912 5.415 8.003 1.00 0.00 C ATOM 830 O SER A 55 4.866 5.346 8.753 1.00 0.00 O ATOM 831 CB SER A 55 3.372 7.130 6.274 1.00 0.00 C ATOM 832 OG SER A 55 3.446 7.438 4.887 1.00 0.00 O ATOM 0 H SER A 55 2.503 4.718 5.598 1.00 0.00 H new ATOM 0 HA SER A 55 5.151 5.920 6.315 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.331 7.061 6.588 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.829 7.927 6.860 1.00 0.00 H new ATOM 0 HG SER A 55 2.568 7.298 4.474 1.00 0.00 H new ATOM 838 N LYS A 56 2.697 5.165 8.415 1.00 0.00 N ATOM 839 CA LYS A 56 2.442 4.778 9.835 1.00 0.00 C ATOM 840 C LYS A 56 3.553 3.847 10.319 1.00 0.00 C ATOM 841 O LYS A 56 3.914 3.844 11.479 1.00 0.00 O ATOM 842 CB LYS A 56 1.094 4.061 9.935 1.00 0.00 C ATOM 843 CG LYS A 56 0.791 3.747 11.402 1.00 0.00 C ATOM 844 CD LYS A 56 1.352 2.369 11.762 1.00 0.00 C ATOM 845 CE LYS A 56 1.851 2.385 13.209 1.00 0.00 C ATOM 846 NZ LYS A 56 1.405 1.145 13.905 1.00 0.00 N ATOM 0 H LYS A 56 1.866 5.212 7.826 1.00 0.00 H new ATOM 0 HA LYS A 56 2.424 5.673 10.457 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.306 4.686 9.515 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.115 3.140 9.352 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.231 4.509 12.045 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.285 3.768 11.574 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.582 1.607 11.640 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.168 2.109 11.087 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.939 2.454 13.229 1.00 0.00 H new ATOM 0 HE3 LYS A 56 1.467 3.263 13.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.745 1.157 14.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.366 1.098 13.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.793 0.313 13.415 1.00 0.00 H new ATOM 860 N GLY A 57 4.106 3.062 9.435 1.00 0.00 N ATOM 861 CA GLY A 57 5.204 2.141 9.848 1.00 0.00 C ATOM 862 C GLY A 57 4.879 0.706 9.425 1.00 0.00 C ATOM 863 O GLY A 57 5.761 -0.073 9.123 1.00 0.00 O ATOM 0 H GLY A 57 3.847 3.018 8.449 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.143 2.457 9.395 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.340 2.187 10.928 1.00 0.00 H new ATOM 867 N THR A 58 3.624 0.346 9.400 1.00 0.00 N ATOM 868 CA THR A 58 3.265 -1.040 8.989 1.00 0.00 C ATOM 869 C THR A 58 4.071 -1.401 7.746 1.00 0.00 C ATOM 870 O THR A 58 4.708 -2.433 7.677 1.00 0.00 O ATOM 871 CB THR A 58 1.770 -1.110 8.666 1.00 0.00 C ATOM 872 OG1 THR A 58 1.023 -0.714 9.808 1.00 0.00 O ATOM 873 CG2 THR A 58 1.397 -2.542 8.282 1.00 0.00 C ATOM 0 H THR A 58 2.837 0.948 9.645 1.00 0.00 H new ATOM 0 HA THR A 58 3.488 -1.737 9.797 1.00 0.00 H new ATOM 0 HB THR A 58 1.545 -0.443 7.834 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.066 -0.756 9.603 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.333 -2.592 8.052 1.00 0.00 H new ATOM 0 HG22 THR A 58 1.972 -2.846 7.407 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.620 -3.211 9.113 1.00 0.00 H new ATOM 881 N LEU A 59 4.035 -0.553 6.758 1.00 0.00 N ATOM 882 CA LEU A 59 4.773 -0.820 5.509 1.00 0.00 C ATOM 883 C LEU A 59 5.908 0.211 5.344 1.00 0.00 C ATOM 884 O LEU A 59 5.913 1.025 4.447 1.00 0.00 O ATOM 885 CB LEU A 59 3.755 -0.719 4.382 1.00 0.00 C ATOM 886 CG LEU A 59 4.343 -1.199 3.068 1.00 0.00 C ATOM 887 CD1 LEU A 59 5.248 -2.413 3.296 1.00 0.00 C ATOM 888 CD2 LEU A 59 3.195 -1.591 2.141 1.00 0.00 C ATOM 0 H LEU A 59 3.516 0.325 6.770 1.00 0.00 H new ATOM 0 HA LEU A 59 5.239 -1.805 5.510 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.875 -1.313 4.629 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.423 0.314 4.279 1.00 0.00 H new ATOM 0 HG LEU A 59 4.939 -0.402 2.625 1.00 0.00 H new ATOM 0 HD11 LEU A 59 5.661 -2.743 2.343 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.061 -2.139 3.968 1.00 0.00 H new ATOM 0 HD13 LEU A 59 4.667 -3.222 3.740 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.598 -1.939 1.190 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.611 -2.388 2.602 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.555 -0.726 1.969 1.00 0.00 H new ATOM 900 N VAL A 60 6.867 0.170 6.228 1.00 0.00 N ATOM 901 CA VAL A 60 8.019 1.139 6.193 1.00 0.00 C ATOM 902 C VAL A 60 8.858 1.032 4.917 1.00 0.00 C ATOM 903 O VAL A 60 9.856 1.710 4.780 1.00 0.00 O ATOM 904 CB VAL A 60 8.935 0.851 7.383 1.00 0.00 C ATOM 905 CG1 VAL A 60 10.193 1.715 7.289 1.00 0.00 C ATOM 906 CG2 VAL A 60 8.203 1.166 8.686 1.00 0.00 C ATOM 0 H VAL A 60 6.908 -0.505 6.991 1.00 0.00 H new ATOM 0 HA VAL A 60 7.594 2.142 6.229 1.00 0.00 H new ATOM 0 HB VAL A 60 9.215 -0.202 7.368 1.00 0.00 H new ATOM 0 HG11 VAL A 60 10.842 1.506 8.139 1.00 0.00 H new ATOM 0 HG12 VAL A 60 10.722 1.488 6.364 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.912 2.768 7.297 1.00 0.00 H new ATOM 0 HG21 VAL A 60 8.859 0.959 9.531 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.917 2.218 8.697 1.00 0.00 H new ATOM 0 HG23 VAL A 60 7.310 0.546 8.760 1.00 0.00 H new ATOM 916 N GLN A 61 8.488 0.197 4.004 1.00 0.00 N ATOM 917 CA GLN A 61 9.291 0.046 2.755 1.00 0.00 C ATOM 918 C GLN A 61 10.775 0.052 3.122 1.00 0.00 C ATOM 919 O GLN A 61 11.136 -0.152 4.264 1.00 0.00 O ATOM 920 CB GLN A 61 8.978 1.195 1.785 1.00 0.00 C ATOM 921 CG GLN A 61 9.163 2.544 2.486 1.00 0.00 C ATOM 922 CD GLN A 61 8.966 3.678 1.477 1.00 0.00 C ATOM 923 OE1 GLN A 61 9.646 4.682 1.537 1.00 0.00 O ATOM 924 NE2 GLN A 61 8.055 3.562 0.550 1.00 0.00 N ATOM 0 H GLN A 61 7.660 -0.396 4.060 1.00 0.00 H new ATOM 0 HA GLN A 61 9.039 -0.894 2.264 1.00 0.00 H new ATOM 0 HB2 GLN A 61 9.633 1.136 0.916 1.00 0.00 H new ATOM 0 HB3 GLN A 61 7.955 1.104 1.420 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.448 2.642 3.303 1.00 0.00 H new ATOM 0 HG3 GLN A 61 10.159 2.603 2.925 1.00 0.00 H new ATOM 0 HE21 GLN A 61 7.484 2.719 0.499 1.00 0.00 H new ATOM 0 HE22 GLN A 61 7.914 4.315 -0.124 1.00 0.00 H new ATOM 933 N THR A 62 11.643 0.287 2.183 1.00 0.00 N ATOM 934 CA THR A 62 13.089 0.307 2.524 1.00 0.00 C ATOM 935 C THR A 62 13.749 1.512 1.867 1.00 0.00 C ATOM 936 O THR A 62 14.956 1.581 1.747 1.00 0.00 O ATOM 937 CB THR A 62 13.757 -0.985 2.047 1.00 0.00 C ATOM 938 OG1 THR A 62 13.155 -1.409 0.835 1.00 0.00 O ATOM 939 CG2 THR A 62 13.583 -2.072 3.109 1.00 0.00 C ATOM 0 H THR A 62 11.418 0.464 1.204 1.00 0.00 H new ATOM 0 HA THR A 62 13.204 0.381 3.605 1.00 0.00 H new ATOM 0 HB THR A 62 14.819 -0.805 1.882 1.00 0.00 H new ATOM 0 HG1 THR A 62 13.846 -1.746 0.227 1.00 0.00 H new ATOM 0 HG21 THR A 62 14.059 -2.992 2.769 1.00 0.00 H new ATOM 0 HG22 THR A 62 14.045 -1.747 4.041 1.00 0.00 H new ATOM 0 HG23 THR A 62 12.521 -2.252 3.274 1.00 0.00 H new ATOM 947 N LYS A 63 12.953 2.465 1.461 1.00 0.00 N ATOM 948 CA LYS A 63 13.499 3.699 0.810 1.00 0.00 C ATOM 949 C LYS A 63 14.748 3.365 -0.019 1.00 0.00 C ATOM 950 O LYS A 63 15.644 4.175 -0.155 1.00 0.00 O ATOM 951 CB LYS A 63 13.868 4.725 1.887 1.00 0.00 C ATOM 952 CG LYS A 63 13.379 6.112 1.461 1.00 0.00 C ATOM 953 CD LYS A 63 14.531 7.115 1.560 1.00 0.00 C ATOM 954 CE LYS A 63 13.993 8.469 2.028 1.00 0.00 C ATOM 955 NZ LYS A 63 14.013 9.433 0.890 1.00 0.00 N ATOM 0 H LYS A 63 11.937 2.444 1.552 1.00 0.00 H new ATOM 0 HA LYS A 63 12.736 4.110 0.149 1.00 0.00 H new ATOM 0 HB2 LYS A 63 13.418 4.446 2.840 1.00 0.00 H new ATOM 0 HB3 LYS A 63 14.948 4.739 2.037 1.00 0.00 H new ATOM 0 HG2 LYS A 63 13.000 6.077 0.439 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.552 6.428 2.097 1.00 0.00 H new ATOM 0 HD2 LYS A 63 15.285 6.751 2.258 1.00 0.00 H new ATOM 0 HD3 LYS A 63 15.019 7.221 0.591 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.977 8.357 2.406 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.599 8.848 2.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 13.647 10.353 1.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.989 9.547 0.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 13.417 9.072 0.118 1.00 0.00 H new ATOM 969 N GLY A 64 14.822 2.181 -0.569 1.00 0.00 N ATOM 970 CA GLY A 64 16.019 1.809 -1.377 1.00 0.00 C ATOM 971 C GLY A 64 16.062 2.648 -2.654 1.00 0.00 C ATOM 972 O GLY A 64 15.097 2.723 -3.389 1.00 0.00 O ATOM 0 H GLY A 64 14.107 1.458 -0.493 1.00 0.00 H new ATOM 0 HA2 GLY A 64 16.926 1.969 -0.795 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.985 0.749 -1.628 1.00 0.00 H new ATOM 976 N THR A 65 17.177 3.280 -2.919 1.00 0.00 N ATOM 977 CA THR A 65 17.306 4.120 -4.148 1.00 0.00 C ATOM 978 C THR A 65 16.708 5.510 -3.898 1.00 0.00 C ATOM 979 O THR A 65 17.232 6.508 -4.352 1.00 0.00 O ATOM 980 CB THR A 65 16.580 3.447 -5.316 1.00 0.00 C ATOM 981 OG1 THR A 65 16.771 2.041 -5.241 1.00 0.00 O ATOM 982 CG2 THR A 65 17.142 3.970 -6.639 1.00 0.00 C ATOM 0 H THR A 65 18.010 3.250 -2.332 1.00 0.00 H new ATOM 0 HA THR A 65 18.362 4.226 -4.395 1.00 0.00 H new ATOM 0 HB THR A 65 15.515 3.674 -5.262 1.00 0.00 H new ATOM 0 HG1 THR A 65 15.993 1.628 -4.811 1.00 0.00 H new ATOM 0 HG21 THR A 65 16.624 3.490 -7.469 1.00 0.00 H new ATOM 0 HG22 THR A 65 16.996 5.049 -6.695 1.00 0.00 H new ATOM 0 HG23 THR A 65 18.207 3.745 -6.696 1.00 0.00 H new ATOM 990 N GLY A 66 15.619 5.589 -3.182 1.00 0.00 N ATOM 991 CA GLY A 66 15.001 6.919 -2.914 1.00 0.00 C ATOM 992 C GLY A 66 13.721 7.060 -3.739 1.00 0.00 C ATOM 993 O GLY A 66 12.949 7.980 -3.553 1.00 0.00 O ATOM 0 H GLY A 66 15.132 4.792 -2.772 1.00 0.00 H new ATOM 0 HA2 GLY A 66 14.775 7.020 -1.852 1.00 0.00 H new ATOM 0 HA3 GLY A 66 15.700 7.715 -3.169 1.00 0.00 H new ATOM 997 N ALA A 67 13.491 6.156 -4.651 1.00 0.00 N ATOM 998 CA ALA A 67 12.263 6.237 -5.490 1.00 0.00 C ATOM 999 C ALA A 67 11.043 5.835 -4.657 1.00 0.00 C ATOM 1000 O ALA A 67 9.915 6.092 -5.027 1.00 0.00 O ATOM 1001 CB ALA A 67 12.400 5.287 -6.682 1.00 0.00 C ATOM 0 H ALA A 67 14.101 5.364 -4.851 1.00 0.00 H new ATOM 0 HA ALA A 67 12.135 7.259 -5.848 1.00 0.00 H new ATOM 0 HB1 ALA A 67 11.502 5.344 -7.298 1.00 0.00 H new ATOM 0 HB2 ALA A 67 13.267 5.573 -7.277 1.00 0.00 H new ATOM 0 HB3 ALA A 67 12.528 4.266 -6.321 1.00 0.00 H new ATOM 1007 N SER A 68 11.260 5.204 -3.536 1.00 0.00 N ATOM 1008 CA SER A 68 10.112 4.786 -2.683 1.00 0.00 C ATOM 1009 C SER A 68 10.600 3.789 -1.630 1.00 0.00 C ATOM 1010 O SER A 68 10.673 4.096 -0.458 1.00 0.00 O ATOM 1011 CB SER A 68 9.042 4.126 -3.554 1.00 0.00 C ATOM 1012 OG SER A 68 9.669 3.434 -4.626 1.00 0.00 O ATOM 0 H SER A 68 12.182 4.960 -3.174 1.00 0.00 H new ATOM 0 HA SER A 68 9.688 5.660 -2.189 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.447 3.434 -2.958 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.358 4.880 -3.943 1.00 0.00 H new ATOM 0 HG SER A 68 9.069 3.417 -5.400 1.00 0.00 H new ATOM 1018 N GLY A 69 10.938 2.597 -2.041 1.00 0.00 N ATOM 1019 CA GLY A 69 11.424 1.582 -1.063 1.00 0.00 C ATOM 1020 C GLY A 69 10.611 0.296 -1.212 1.00 0.00 C ATOM 1021 O GLY A 69 9.421 0.326 -1.443 1.00 0.00 O ATOM 0 H GLY A 69 10.899 2.282 -3.010 1.00 0.00 H new ATOM 0 HA2 GLY A 69 12.481 1.377 -1.231 1.00 0.00 H new ATOM 0 HA3 GLY A 69 11.331 1.967 -0.048 1.00 0.00 H new ATOM 1025 N SER A 70 11.248 -0.834 -1.080 1.00 0.00 N ATOM 1026 CA SER A 70 10.520 -2.129 -1.204 1.00 0.00 C ATOM 1027 C SER A 70 9.499 -2.241 -0.069 1.00 0.00 C ATOM 1028 O SER A 70 9.848 -2.544 1.055 1.00 0.00 O ATOM 1029 CB SER A 70 11.521 -3.280 -1.096 1.00 0.00 C ATOM 1030 OG SER A 70 10.830 -4.471 -0.743 1.00 0.00 O ATOM 0 H SER A 70 12.247 -0.917 -0.891 1.00 0.00 H new ATOM 0 HA SER A 70 10.009 -2.175 -2.166 1.00 0.00 H new ATOM 0 HB2 SER A 70 12.041 -3.415 -2.044 1.00 0.00 H new ATOM 0 HB3 SER A 70 12.278 -3.050 -0.347 1.00 0.00 H new ATOM 0 HG SER A 70 11.468 -5.211 -0.674 1.00 0.00 H new ATOM 1036 N PHE A 71 8.244 -1.992 -0.340 1.00 0.00 N ATOM 1037 CA PHE A 71 7.229 -2.081 0.747 1.00 0.00 C ATOM 1038 C PHE A 71 7.174 -3.506 1.280 1.00 0.00 C ATOM 1039 O PHE A 71 6.371 -4.306 0.842 1.00 0.00 O ATOM 1040 CB PHE A 71 5.831 -1.714 0.241 1.00 0.00 C ATOM 1041 CG PHE A 71 5.856 -0.453 -0.585 1.00 0.00 C ATOM 1042 CD1 PHE A 71 6.999 0.352 -0.630 1.00 0.00 C ATOM 1043 CD2 PHE A 71 4.711 -0.082 -1.295 1.00 0.00 C ATOM 1044 CE1 PHE A 71 6.995 1.525 -1.389 1.00 0.00 C ATOM 1045 CE2 PHE A 71 4.708 1.089 -2.051 1.00 0.00 C ATOM 1046 CZ PHE A 71 5.850 1.894 -2.100 1.00 0.00 C ATOM 0 H PHE A 71 7.882 -1.734 -1.258 1.00 0.00 H new ATOM 0 HA PHE A 71 7.524 -1.380 1.528 1.00 0.00 H new ATOM 0 HB2 PHE A 71 5.432 -2.534 -0.357 1.00 0.00 H new ATOM 0 HB3 PHE A 71 5.159 -1.582 1.089 1.00 0.00 H new ATOM 0 HD1 PHE A 71 7.883 0.067 -0.079 1.00 0.00 H new ATOM 0 HD2 PHE A 71 3.828 -0.703 -1.258 1.00 0.00 H new ATOM 0 HE1 PHE A 71 7.877 2.147 -1.426 1.00 0.00 H new ATOM 0 HE2 PHE A 71 3.823 1.375 -2.599 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.847 2.801 -2.687 1.00 0.00 H new ATOM 1056 N ARG A 72 7.978 -3.828 2.248 1.00 0.00 N ATOM 1057 CA ARG A 72 7.904 -5.196 2.815 1.00 0.00 C ATOM 1058 C ARG A 72 6.921 -5.118 3.978 1.00 0.00 C ATOM 1059 O ARG A 72 5.765 -5.456 3.837 1.00 0.00 O ATOM 1060 CB ARG A 72 9.293 -5.642 3.279 1.00 0.00 C ATOM 1061 CG ARG A 72 10.295 -5.409 2.142 1.00 0.00 C ATOM 1062 CD ARG A 72 10.915 -6.741 1.715 1.00 0.00 C ATOM 1063 NE ARG A 72 11.185 -7.576 2.919 1.00 0.00 N ATOM 1064 CZ ARG A 72 12.380 -7.601 3.440 1.00 0.00 C ATOM 1065 NH1 ARG A 72 12.876 -6.525 3.987 1.00 0.00 N ATOM 1066 NH2 ARG A 72 13.079 -8.702 3.413 1.00 0.00 N ATOM 0 H ARG A 72 8.675 -3.212 2.667 1.00 0.00 H new ATOM 0 HA ARG A 72 7.568 -5.929 2.081 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.592 -5.083 4.165 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.277 -6.696 3.557 1.00 0.00 H new ATOM 0 HG2 ARG A 72 9.794 -4.942 1.294 1.00 0.00 H new ATOM 0 HG3 ARG A 72 11.076 -4.722 2.468 1.00 0.00 H new ATOM 0 HD2 ARG A 72 10.241 -7.267 1.039 1.00 0.00 H new ATOM 0 HD3 ARG A 72 11.841 -6.564 1.168 1.00 0.00 H new ATOM 0 HE ARG A 72 10.435 -8.128 3.336 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.329 -5.664 4.007 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.811 -6.545 4.395 1.00 0.00 H new ATOM 0 HH21 ARG A 72 12.691 -9.542 2.985 1.00 0.00 H new ATOM 0 HH22 ARG A 72 14.014 -8.723 3.820 1.00 0.00 H new ATOM 1080 N LEU A 73 7.354 -4.599 5.095 1.00 0.00 N ATOM 1081 CA LEU A 73 6.442 -4.410 6.259 1.00 0.00 C ATOM 1082 C LEU A 73 7.257 -4.130 7.512 1.00 0.00 C ATOM 1083 O LEU A 73 7.541 -5.007 8.304 1.00 0.00 O ATOM 1084 CB LEU A 73 5.535 -5.612 6.495 1.00 0.00 C ATOM 1085 CG LEU A 73 4.129 -5.079 6.787 1.00 0.00 C ATOM 1086 CD1 LEU A 73 3.629 -4.238 5.614 1.00 0.00 C ATOM 1087 CD2 LEU A 73 3.170 -6.239 7.012 1.00 0.00 C ATOM 0 H LEU A 73 8.315 -4.294 5.252 1.00 0.00 H new ATOM 0 HA LEU A 73 5.800 -3.560 6.029 1.00 0.00 H new ATOM 0 HB2 LEU A 73 5.524 -6.262 5.620 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.900 -6.209 7.331 1.00 0.00 H new ATOM 0 HG LEU A 73 4.173 -4.460 7.683 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.629 -3.865 5.834 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.303 -3.396 5.456 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.598 -4.852 4.714 1.00 0.00 H new ATOM 0 HD21 LEU A 73 2.172 -5.851 7.219 1.00 0.00 H new ATOM 0 HD22 LEU A 73 3.139 -6.864 6.119 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.511 -6.834 7.859 1.00 0.00 H new ATOM 1099 N SER A 74 7.623 -2.897 7.691 1.00 0.00 N ATOM 1100 CA SER A 74 8.413 -2.505 8.882 1.00 0.00 C ATOM 1101 C SER A 74 9.780 -3.193 8.848 1.00 0.00 C ATOM 1102 O SER A 74 10.472 -3.268 9.844 1.00 0.00 O ATOM 1103 CB SER A 74 7.667 -2.914 10.153 1.00 0.00 C ATOM 1104 OG SER A 74 7.988 -4.262 10.473 1.00 0.00 O ATOM 0 H SER A 74 7.404 -2.133 7.052 1.00 0.00 H new ATOM 0 HA SER A 74 8.554 -1.424 8.876 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.943 -2.257 10.978 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.592 -2.809 10.007 1.00 0.00 H new ATOM 0 HG SER A 74 7.666 -4.853 9.760 1.00 0.00 H new ATOM 1110 N LYS A 75 10.173 -3.697 7.711 1.00 0.00 N ATOM 1111 CA LYS A 75 11.493 -4.381 7.616 1.00 0.00 C ATOM 1112 C LYS A 75 12.288 -3.794 6.447 1.00 0.00 C ATOM 1113 O LYS A 75 13.124 -4.501 5.910 1.00 0.00 O ATOM 1114 CB LYS A 75 11.276 -5.880 7.389 1.00 0.00 C ATOM 1115 CG LYS A 75 12.538 -6.645 7.793 1.00 0.00 C ATOM 1116 CD LYS A 75 12.150 -8.021 8.343 1.00 0.00 C ATOM 1117 CE LYS A 75 12.918 -8.287 9.639 1.00 0.00 C ATOM 1118 NZ LYS A 75 11.963 -8.707 10.703 1.00 0.00 N ATOM 1119 OXT LYS A 75 12.046 -2.647 6.109 1.00 0.00 O ATOM 0 H LYS A 75 9.637 -3.665 6.844 1.00 0.00 H new ATOM 0 HA LYS A 75 12.048 -4.232 8.542 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.424 -6.228 7.974 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.042 -6.070 6.341 1.00 0.00 H new ATOM 0 HG2 LYS A 75 13.198 -6.759 6.933 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.090 -6.083 8.546 1.00 0.00 H new ATOM 0 HD2 LYS A 75 11.077 -8.061 8.529 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.375 -8.795 7.609 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.666 -9.064 9.479 1.00 0.00 H new ATOM 0 HE3 LYS A 75 13.453 -7.389 9.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 12.484 -8.888 11.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 11.266 -7.952 10.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 11.472 -9.575 10.406 1.00 0.00 H new TER 1133 LYS A 75