USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=22 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 61 GLN : amide:sc= -18.7! C(o=-21!,f=-15!) USER MOD Set 1.2: A 68 SER OG : rot -152:sc= -2.02! USER MOD Single : A 1 MET CE :methyl -148:sc= -0.362 (180deg=-1.9!) USER MOD Single : A 1 MET N :NH3+ 151:sc= -0.325 (180deg=-2.22!) USER MOD Single : A 5 SER OG : rot 85:sc= 1.03 USER MOD Single : A 7 THR OG1 : rot -76:sc= -1.29! USER MOD Single : A 11 THR OG1 : rot 100:sc= 0.0202 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 140:sc= -2.17 USER MOD Single : A 18 LYS NZ :NH3+ 143:sc= 0.308 (180deg=-0.741!) USER MOD Single : A 21 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000371) USER MOD Single : A 24 SER OG : rot 69:sc= 1.11 USER MOD Single : A 29 LYS NZ :NH3+ 147:sc= -1.05! (180deg=-1.85!) 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+ -123:sc= -0.72 (180deg=-2.48!) USER MOD Single : A 42 ASN : amide:sc= -3.56! K(o=-3.6!,f=-2.5) USER MOD Single : A 43 ASN : amide:sc= -0.456 K(o=-0.46,f=-1.8!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot -160:sc= 0.0917 USER MOD Single : A 62 THR OG1 : rot -70:sc= 1.15 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.0184 USER MOD Single : A 70 SER OG : rot 180:sc= -2.09! USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.796 4.845 14.347 1.00 0.00 N ATOM 2 CA MET A 1 -6.845 3.707 14.497 1.00 0.00 C ATOM 3 C MET A 1 -6.688 2.994 13.153 1.00 0.00 C ATOM 4 O MET A 1 -7.562 3.039 12.310 1.00 0.00 O ATOM 5 CB MET A 1 -7.385 2.724 15.538 1.00 0.00 C ATOM 6 CG MET A 1 -8.897 2.571 15.360 1.00 0.00 C ATOM 7 SD MET A 1 -9.749 3.306 16.777 1.00 0.00 S ATOM 8 CE MET A 1 -9.014 2.256 18.054 1.00 0.00 C ATOM 0 H1 MET A 1 -8.279 5.015 15.252 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.273 5.700 14.068 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.500 4.615 13.616 1.00 0.00 H new ATOM 0 HA MET A 1 -5.876 4.084 14.823 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.896 1.756 15.428 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.161 3.082 16.543 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.216 3.057 14.438 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.159 1.517 15.272 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.731 2.109 18.861 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.749 1.290 17.623 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.118 2.736 18.448 1.00 0.00 H new ATOM 20 N ALA A 2 -5.578 2.339 12.944 1.00 0.00 N ATOM 21 CA ALA A 2 -5.364 1.628 11.652 1.00 0.00 C ATOM 22 C ALA A 2 -6.118 0.296 11.666 1.00 0.00 C ATOM 23 O ALA A 2 -6.204 -0.370 12.679 1.00 0.00 O ATOM 24 CB ALA A 2 -3.870 1.366 11.456 1.00 0.00 C ATOM 0 H ALA A 2 -4.811 2.266 13.612 1.00 0.00 H new ATOM 0 HA ALA A 2 -5.736 2.245 10.834 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -3.713 0.846 10.511 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -3.333 2.314 11.442 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -3.498 0.751 12.275 1.00 0.00 H new ATOM 30 N GLY A 3 -6.666 -0.096 10.548 1.00 0.00 N ATOM 31 CA GLY A 3 -7.415 -1.384 10.492 1.00 0.00 C ATOM 32 C GLY A 3 -8.200 -1.444 9.183 1.00 0.00 C ATOM 33 O GLY A 3 -7.789 -0.871 8.194 1.00 0.00 O ATOM 0 H GLY A 3 -6.627 0.421 9.670 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -6.724 -2.225 10.556 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -8.093 -1.463 11.342 1.00 0.00 H new ATOM 37 N PRO A 4 -9.312 -2.129 9.218 1.00 0.00 N ATOM 38 CA PRO A 4 -10.122 -2.214 7.984 1.00 0.00 C ATOM 39 C PRO A 4 -10.259 -0.818 7.374 1.00 0.00 C ATOM 40 O PRO A 4 -11.118 -0.046 7.753 1.00 0.00 O ATOM 41 CB PRO A 4 -11.479 -2.741 8.452 1.00 0.00 C ATOM 42 CG PRO A 4 -11.582 -2.395 9.949 1.00 0.00 C ATOM 43 CD PRO A 4 -10.146 -2.155 10.444 1.00 0.00 C ATOM 0 HA PRO A 4 -9.681 -2.857 7.222 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -12.291 -2.280 7.889 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -11.554 -3.817 8.295 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -12.197 -1.508 10.100 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -12.052 -3.207 10.503 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -10.070 -1.216 10.992 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -9.826 -2.946 11.122 1.00 0.00 H new ATOM 51 N SER A 5 -9.408 -0.479 6.445 1.00 0.00 N ATOM 52 CA SER A 5 -9.480 0.873 5.832 1.00 0.00 C ATOM 53 C SER A 5 -8.189 1.154 5.067 1.00 0.00 C ATOM 54 O SER A 5 -7.346 1.909 5.508 1.00 0.00 O ATOM 55 CB SER A 5 -9.655 1.916 6.935 1.00 0.00 C ATOM 56 OG SER A 5 -11.034 2.230 7.072 1.00 0.00 O ATOM 0 H SER A 5 -8.667 -1.081 6.085 1.00 0.00 H new ATOM 0 HA SER A 5 -10.325 0.920 5.145 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.262 1.534 7.877 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.088 2.815 6.694 1.00 0.00 H new ATOM 0 HG SER A 5 -11.461 1.577 7.666 1.00 0.00 H new ATOM 62 N VAL A 6 -8.038 0.557 3.920 1.00 0.00 N ATOM 63 CA VAL A 6 -6.815 0.789 3.105 1.00 0.00 C ATOM 64 C VAL A 6 -5.575 0.799 3.999 1.00 0.00 C ATOM 65 O VAL A 6 -4.593 1.460 3.723 1.00 0.00 O ATOM 66 CB VAL A 6 -6.949 2.127 2.393 1.00 0.00 C ATOM 67 CG1 VAL A 6 -8.308 2.178 1.705 1.00 0.00 C ATOM 68 CG2 VAL A 6 -6.848 3.269 3.409 1.00 0.00 C ATOM 0 H VAL A 6 -8.714 -0.087 3.509 1.00 0.00 H new ATOM 0 HA VAL A 6 -6.706 -0.013 2.375 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.151 2.236 1.658 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -8.419 3.132 1.190 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -8.381 1.365 0.983 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -9.097 2.074 2.450 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.945 4.224 2.893 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.645 3.172 4.146 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.882 3.224 3.912 1.00 0.00 H new ATOM 78 N THR A 7 -5.614 0.048 5.052 1.00 0.00 N ATOM 79 CA THR A 7 -4.459 -0.045 5.979 1.00 0.00 C ATOM 80 C THR A 7 -4.362 -1.511 6.372 1.00 0.00 C ATOM 81 O THR A 7 -3.331 -2.142 6.246 1.00 0.00 O ATOM 82 CB THR A 7 -4.705 0.840 7.202 1.00 0.00 C ATOM 83 OG1 THR A 7 -5.989 0.554 7.739 1.00 0.00 O ATOM 84 CG2 THR A 7 -4.639 2.312 6.779 1.00 0.00 C ATOM 0 H THR A 7 -6.417 -0.521 5.318 1.00 0.00 H new ATOM 0 HA THR A 7 -3.531 0.297 5.520 1.00 0.00 H new ATOM 0 HB THR A 7 -3.946 0.644 7.959 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.678 0.963 7.175 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.814 2.948 7.647 1.00 0.00 H new ATOM 0 HG22 THR A 7 -3.655 2.527 6.363 1.00 0.00 H new ATOM 0 HG23 THR A 7 -5.402 2.509 6.026 1.00 0.00 H new ATOM 92 N GLU A 8 -5.470 -2.077 6.760 1.00 0.00 N ATOM 93 CA GLU A 8 -5.502 -3.526 7.062 1.00 0.00 C ATOM 94 C GLU A 8 -5.843 -4.209 5.737 1.00 0.00 C ATOM 95 O GLU A 8 -5.540 -5.362 5.510 1.00 0.00 O ATOM 96 CB GLU A 8 -6.578 -3.827 8.109 1.00 0.00 C ATOM 97 CG GLU A 8 -6.418 -5.265 8.608 1.00 0.00 C ATOM 98 CD GLU A 8 -7.174 -5.435 9.927 1.00 0.00 C ATOM 99 OE1 GLU A 8 -8.097 -4.672 10.160 1.00 0.00 O ATOM 100 OE2 GLU A 8 -6.817 -6.325 10.681 1.00 0.00 O ATOM 0 H GLU A 8 -6.359 -1.591 6.880 1.00 0.00 H new ATOM 0 HA GLU A 8 -4.554 -3.878 7.468 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -6.494 -3.130 8.943 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.569 -3.689 7.677 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -6.801 -5.964 7.864 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.362 -5.497 8.749 1.00 0.00 H new ATOM 107 N LEU A 9 -6.451 -3.455 4.847 1.00 0.00 N ATOM 108 CA LEU A 9 -6.806 -3.969 3.497 1.00 0.00 C ATOM 109 C LEU A 9 -5.516 -4.024 2.674 1.00 0.00 C ATOM 110 O LEU A 9 -5.212 -5.003 2.026 1.00 0.00 O ATOM 111 CB LEU A 9 -7.814 -2.985 2.862 1.00 0.00 C ATOM 112 CG LEU A 9 -7.480 -2.713 1.391 1.00 0.00 C ATOM 113 CD1 LEU A 9 -7.585 -4.015 0.595 1.00 0.00 C ATOM 114 CD2 LEU A 9 -8.470 -1.691 0.829 1.00 0.00 C ATOM 0 H LEU A 9 -6.718 -2.485 5.011 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.255 -4.961 3.540 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.821 -3.394 2.938 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -7.808 -2.047 3.417 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.466 -2.321 1.313 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.348 -3.822 -0.451 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.883 -4.745 0.998 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.599 -4.407 0.671 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.236 -1.495 -0.217 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.483 -2.085 0.906 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.397 -0.764 1.397 1.00 0.00 H new ATOM 126 N ILE A 10 -4.762 -2.960 2.717 1.00 0.00 N ATOM 127 CA ILE A 10 -3.480 -2.895 1.975 1.00 0.00 C ATOM 128 C ILE A 10 -2.538 -3.947 2.551 1.00 0.00 C ATOM 129 O ILE A 10 -1.946 -4.734 1.841 1.00 0.00 O ATOM 130 CB ILE A 10 -2.880 -1.493 2.167 1.00 0.00 C ATOM 131 CG1 ILE A 10 -3.378 -0.601 1.028 1.00 0.00 C ATOM 132 CG2 ILE A 10 -1.345 -1.574 2.167 1.00 0.00 C ATOM 133 CD1 ILE A 10 -2.507 0.649 0.895 1.00 0.00 C ATOM 0 H ILE A 10 -4.989 -2.119 3.247 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.632 -3.084 0.912 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.191 -1.073 3.123 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.366 -1.159 0.092 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.412 -0.311 1.213 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.928 -0.576 2.304 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.015 -2.220 2.981 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.002 -1.984 1.217 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.880 1.268 0.079 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.540 1.216 1.825 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.478 0.355 0.686 1.00 0.00 H new ATOM 145 N THR A 11 -2.398 -3.952 3.844 1.00 0.00 N ATOM 146 CA THR A 11 -1.508 -4.940 4.495 1.00 0.00 C ATOM 147 C THR A 11 -2.080 -6.330 4.229 1.00 0.00 C ATOM 148 O THR A 11 -1.360 -7.299 4.091 1.00 0.00 O ATOM 149 CB THR A 11 -1.466 -4.641 5.997 1.00 0.00 C ATOM 150 OG1 THR A 11 -0.574 -3.559 6.232 1.00 0.00 O ATOM 151 CG2 THR A 11 -0.987 -5.872 6.766 1.00 0.00 C ATOM 0 H THR A 11 -2.867 -3.308 4.481 1.00 0.00 H new ATOM 0 HA THR A 11 -0.492 -4.888 4.103 1.00 0.00 H new ATOM 0 HB THR A 11 -2.467 -4.378 6.339 1.00 0.00 H new ATOM 0 HG1 THR A 11 -1.086 -2.730 6.337 1.00 0.00 H new ATOM 0 HG21 THR A 11 -0.961 -5.648 7.832 1.00 0.00 H new ATOM 0 HG22 THR A 11 -1.670 -6.702 6.586 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.013 -6.146 6.429 1.00 0.00 H new ATOM 159 N LYS A 12 -3.376 -6.420 4.113 1.00 0.00 N ATOM 160 CA LYS A 12 -4.012 -7.727 3.806 1.00 0.00 C ATOM 161 C LYS A 12 -3.765 -8.017 2.322 1.00 0.00 C ATOM 162 O LYS A 12 -3.801 -9.147 1.876 1.00 0.00 O ATOM 163 CB LYS A 12 -5.518 -7.633 4.094 1.00 0.00 C ATOM 164 CG LYS A 12 -6.292 -8.629 3.226 1.00 0.00 C ATOM 165 CD LYS A 12 -7.772 -8.603 3.613 1.00 0.00 C ATOM 166 CE LYS A 12 -8.469 -7.448 2.890 1.00 0.00 C ATOM 167 NZ LYS A 12 -9.887 -7.817 2.618 1.00 0.00 N ATOM 0 H LYS A 12 -4.023 -5.639 4.219 1.00 0.00 H new ATOM 0 HA LYS A 12 -3.596 -8.527 4.418 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.706 -7.837 5.148 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.870 -6.620 3.897 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.176 -8.375 2.172 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.888 -9.633 3.358 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.244 -9.549 3.349 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.875 -8.486 4.692 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.427 -6.545 3.499 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.954 -7.226 1.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.362 -7.033 2.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -9.916 -8.668 2.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.374 -8.008 3.517 1.00 0.00 H new ATOM 181 N ALA A 13 -3.498 -6.987 1.565 1.00 0.00 N ATOM 182 CA ALA A 13 -3.225 -7.155 0.113 1.00 0.00 C ATOM 183 C ALA A 13 -1.724 -7.042 -0.126 1.00 0.00 C ATOM 184 O ALA A 13 -1.254 -7.160 -1.240 1.00 0.00 O ATOM 185 CB ALA A 13 -3.929 -6.054 -0.673 1.00 0.00 C ATOM 0 H ALA A 13 -3.458 -6.024 1.898 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.589 -8.129 -0.213 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.727 -6.180 -1.737 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -5.003 -6.112 -0.498 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.561 -5.081 -0.347 1.00 0.00 H new ATOM 191 N VAL A 14 -0.961 -6.824 0.912 1.00 0.00 N ATOM 192 CA VAL A 14 0.509 -6.716 0.737 1.00 0.00 C ATOM 193 C VAL A 14 0.975 -7.853 -0.169 1.00 0.00 C ATOM 194 O VAL A 14 2.016 -7.779 -0.790 1.00 0.00 O ATOM 195 CB VAL A 14 1.197 -6.835 2.094 1.00 0.00 C ATOM 196 CG1 VAL A 14 0.937 -8.224 2.679 1.00 0.00 C ATOM 197 CG2 VAL A 14 2.702 -6.628 1.914 1.00 0.00 C ATOM 0 H VAL A 14 -1.295 -6.717 1.870 1.00 0.00 H new ATOM 0 HA VAL A 14 0.761 -5.753 0.292 1.00 0.00 H new ATOM 0 HB VAL A 14 0.802 -6.079 2.773 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.429 -8.308 3.648 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.136 -8.372 2.802 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.333 -8.983 2.004 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.199 -6.712 2.880 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.095 -7.386 1.237 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.886 -5.638 1.496 1.00 0.00 H new ATOM 207 N SER A 15 0.209 -8.913 -0.222 1.00 0.00 N ATOM 208 CA SER A 15 0.582 -10.086 -1.060 1.00 0.00 C ATOM 209 C SER A 15 1.526 -10.949 -0.242 1.00 0.00 C ATOM 210 O SER A 15 2.437 -11.567 -0.756 1.00 0.00 O ATOM 211 CB SER A 15 1.275 -9.626 -2.344 1.00 0.00 C ATOM 212 OG SER A 15 0.947 -10.520 -3.400 1.00 0.00 O ATOM 0 H SER A 15 -0.669 -9.014 0.287 1.00 0.00 H new ATOM 0 HA SER A 15 -0.308 -10.648 -1.343 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.961 -8.614 -2.598 1.00 0.00 H new ATOM 0 HB3 SER A 15 2.355 -9.597 -2.198 1.00 0.00 H new ATOM 0 HG SER A 15 1.388 -10.228 -4.225 1.00 0.00 H new ATOM 218 N ALA A 16 1.319 -10.973 1.044 1.00 0.00 N ATOM 219 CA ALA A 16 2.212 -11.772 1.922 1.00 0.00 C ATOM 220 C ALA A 16 3.630 -11.215 1.799 1.00 0.00 C ATOM 221 O ALA A 16 4.596 -11.849 2.174 1.00 0.00 O ATOM 222 CB ALA A 16 2.191 -13.238 1.482 1.00 0.00 C ATOM 0 H ALA A 16 0.570 -10.474 1.524 1.00 0.00 H new ATOM 0 HA ALA A 16 1.874 -11.712 2.957 1.00 0.00 H new ATOM 0 HB1 ALA A 16 2.847 -13.821 2.128 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.174 -13.625 1.553 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.537 -13.313 0.451 1.00 0.00 H new ATOM 228 N SER A 17 3.756 -10.026 1.269 1.00 0.00 N ATOM 229 CA SER A 17 5.102 -9.414 1.110 1.00 0.00 C ATOM 230 C SER A 17 5.929 -10.255 0.137 1.00 0.00 C ATOM 231 O SER A 17 6.683 -11.122 0.532 1.00 0.00 O ATOM 232 CB SER A 17 5.797 -9.362 2.469 1.00 0.00 C ATOM 233 OG SER A 17 4.993 -8.623 3.379 1.00 0.00 O ATOM 0 H SER A 17 2.979 -9.453 0.939 1.00 0.00 H new ATOM 0 HA SER A 17 5.003 -8.402 0.717 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.959 -10.372 2.846 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.778 -8.897 2.371 1.00 0.00 H new ATOM 0 HG SER A 17 5.011 -9.057 4.258 1.00 0.00 H new ATOM 239 N LYS A 18 5.787 -10.007 -1.137 1.00 0.00 N ATOM 240 CA LYS A 18 6.556 -10.792 -2.142 1.00 0.00 C ATOM 241 C LYS A 18 8.020 -10.344 -2.134 1.00 0.00 C ATOM 242 O LYS A 18 8.886 -11.017 -2.657 1.00 0.00 O ATOM 243 CB LYS A 18 5.958 -10.561 -3.532 1.00 0.00 C ATOM 244 CG LYS A 18 6.138 -9.094 -3.932 1.00 0.00 C ATOM 245 CD LYS A 18 4.881 -8.304 -3.562 1.00 0.00 C ATOM 246 CE LYS A 18 5.263 -7.133 -2.654 1.00 0.00 C ATOM 247 NZ LYS A 18 4.124 -6.816 -1.747 1.00 0.00 N ATOM 0 H LYS A 18 5.170 -9.293 -1.525 1.00 0.00 H new ATOM 0 HA LYS A 18 6.502 -11.852 -1.893 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.445 -11.209 -4.261 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.899 -10.821 -3.531 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.007 -8.673 -3.426 1.00 0.00 H new ATOM 0 HG3 LYS A 18 6.325 -9.019 -5.003 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.392 -7.935 -4.464 1.00 0.00 H new ATOM 0 HD3 LYS A 18 4.167 -8.953 -3.055 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.148 -7.386 -2.070 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.517 -6.260 -3.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 4.490 -6.544 -0.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.572 -6.029 -2.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.514 -7.653 -1.650 1.00 0.00 H new ATOM 261 N GLU A 19 8.303 -9.214 -1.546 1.00 0.00 N ATOM 262 CA GLU A 19 9.713 -8.729 -1.509 1.00 0.00 C ATOM 263 C GLU A 19 10.245 -8.614 -2.939 1.00 0.00 C ATOM 264 O GLU A 19 9.525 -8.256 -3.850 1.00 0.00 O ATOM 265 CB GLU A 19 10.582 -9.715 -0.723 1.00 0.00 C ATOM 266 CG GLU A 19 9.721 -10.503 0.268 1.00 0.00 C ATOM 267 CD GLU A 19 10.626 -11.239 1.258 1.00 0.00 C ATOM 268 OE1 GLU A 19 11.667 -11.716 0.837 1.00 0.00 O ATOM 269 OE2 GLU A 19 10.262 -11.313 2.420 1.00 0.00 O ATOM 0 H GLU A 19 7.622 -8.607 -1.091 1.00 0.00 H new ATOM 0 HA GLU A 19 9.746 -7.754 -1.022 1.00 0.00 H new ATOM 0 HB2 GLU A 19 11.079 -10.400 -1.409 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.364 -9.176 -0.188 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.053 -9.828 0.803 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.093 -11.216 -0.266 1.00 0.00 H new ATOM 276 N ARG A 20 11.501 -8.906 -3.147 1.00 0.00 N ATOM 277 CA ARG A 20 12.065 -8.802 -4.520 1.00 0.00 C ATOM 278 C ARG A 20 11.812 -7.393 -5.043 1.00 0.00 C ATOM 279 O ARG A 20 11.542 -7.188 -6.210 1.00 0.00 O ATOM 280 CB ARG A 20 11.375 -9.815 -5.435 1.00 0.00 C ATOM 281 CG ARG A 20 12.279 -10.123 -6.629 1.00 0.00 C ATOM 282 CD ARG A 20 12.666 -11.602 -6.601 1.00 0.00 C ATOM 283 NE ARG A 20 12.859 -12.091 -7.995 1.00 0.00 N ATOM 284 CZ ARG A 20 14.058 -12.367 -8.430 1.00 0.00 C ATOM 285 NH1 ARG A 20 14.893 -11.401 -8.697 1.00 0.00 N ATOM 286 NH2 ARG A 20 14.422 -13.609 -8.594 1.00 0.00 N ATOM 0 H ARG A 20 12.157 -9.211 -2.428 1.00 0.00 H new ATOM 0 HA ARG A 20 13.135 -9.009 -4.500 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.158 -10.730 -4.884 1.00 0.00 H new ATOM 0 HB3 ARG A 20 10.421 -9.418 -5.781 1.00 0.00 H new ATOM 0 HG2 ARG A 20 11.764 -9.888 -7.560 1.00 0.00 H new ATOM 0 HG3 ARG A 20 13.173 -9.500 -6.593 1.00 0.00 H new ATOM 0 HD2 ARG A 20 13.582 -11.738 -6.026 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.889 -12.183 -6.105 1.00 0.00 H new ATOM 0 HE ARG A 20 12.054 -12.210 -8.610 1.00 0.00 H new ATOM 0 HH11 ARG A 20 14.609 -10.430 -8.566 1.00 0.00 H new ATOM 0 HH12 ARG A 20 15.830 -11.616 -9.037 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.770 -14.364 -8.382 1.00 0.00 H new ATOM 0 HH22 ARG A 20 15.359 -13.825 -8.934 1.00 0.00 H new ATOM 300 N LYS A 21 11.883 -6.421 -4.179 1.00 0.00 N ATOM 301 CA LYS A 21 11.634 -5.021 -4.608 1.00 0.00 C ATOM 302 C LYS A 21 10.147 -4.859 -4.920 1.00 0.00 C ATOM 303 O LYS A 21 9.768 -4.620 -6.049 1.00 0.00 O ATOM 304 CB LYS A 21 12.463 -4.708 -5.855 1.00 0.00 C ATOM 305 CG LYS A 21 13.900 -5.188 -5.640 1.00 0.00 C ATOM 306 CD LYS A 21 14.676 -5.091 -6.955 1.00 0.00 C ATOM 307 CE LYS A 21 15.147 -3.650 -7.164 1.00 0.00 C ATOM 308 NZ LYS A 21 14.322 -3.008 -8.226 1.00 0.00 N ATOM 0 H LYS A 21 12.104 -6.538 -3.190 1.00 0.00 H new ATOM 0 HA LYS A 21 11.921 -4.333 -3.813 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.030 -5.199 -6.726 1.00 0.00 H new ATOM 0 HB3 LYS A 21 12.451 -3.636 -6.054 1.00 0.00 H new ATOM 0 HG2 LYS A 21 14.385 -4.583 -4.874 1.00 0.00 H new ATOM 0 HG3 LYS A 21 13.900 -6.217 -5.281 1.00 0.00 H new ATOM 0 HD2 LYS A 21 15.532 -5.765 -6.935 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.044 -5.403 -7.787 1.00 0.00 H new ATOM 0 HE2 LYS A 21 15.062 -3.089 -6.233 1.00 0.00 H new ATOM 0 HE3 LYS A 21 16.199 -3.637 -7.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 14.630 -2.023 -8.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 14.438 -3.529 -9.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 13.321 -3.023 -7.945 1.00 0.00 H new ATOM 322 N GLY A 22 9.312 -5.007 -3.918 1.00 0.00 N ATOM 323 CA GLY A 22 7.832 -4.880 -4.111 1.00 0.00 C ATOM 324 C GLY A 22 7.512 -3.938 -5.273 1.00 0.00 C ATOM 325 O GLY A 22 8.211 -2.974 -5.509 1.00 0.00 O ATOM 0 H GLY A 22 9.598 -5.213 -2.961 1.00 0.00 H new ATOM 0 HA2 GLY A 22 7.401 -5.862 -4.305 1.00 0.00 H new ATOM 0 HA3 GLY A 22 7.373 -4.505 -3.196 1.00 0.00 H new ATOM 329 N LEU A 23 6.465 -4.232 -6.003 1.00 0.00 N ATOM 330 CA LEU A 23 6.071 -3.383 -7.174 1.00 0.00 C ATOM 331 C LEU A 23 6.403 -1.904 -6.918 1.00 0.00 C ATOM 332 O LEU A 23 7.522 -1.470 -7.110 1.00 0.00 O ATOM 333 CB LEU A 23 4.562 -3.522 -7.488 1.00 0.00 C ATOM 334 CG LEU A 23 3.729 -3.991 -6.274 1.00 0.00 C ATOM 335 CD1 LEU A 23 3.785 -5.517 -6.166 1.00 0.00 C ATOM 336 CD2 LEU A 23 4.232 -3.361 -4.966 1.00 0.00 C ATOM 0 H LEU A 23 5.858 -5.034 -5.836 1.00 0.00 H new ATOM 0 HA LEU A 23 6.643 -3.736 -8.032 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.179 -2.562 -7.834 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.431 -4.231 -8.306 1.00 0.00 H new ATOM 0 HG LEU A 23 2.700 -3.668 -6.429 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.196 -5.843 -5.309 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.379 -5.961 -7.075 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.820 -5.835 -6.038 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.622 -3.714 -4.134 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.271 -3.646 -4.801 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.160 -2.275 -5.034 1.00 0.00 H new ATOM 348 N SER A 24 5.442 -1.123 -6.505 1.00 0.00 N ATOM 349 CA SER A 24 5.709 0.321 -6.254 1.00 0.00 C ATOM 350 C SER A 24 4.372 1.056 -6.138 1.00 0.00 C ATOM 351 O SER A 24 4.046 1.902 -6.947 1.00 0.00 O ATOM 352 CB SER A 24 6.511 0.902 -7.420 1.00 0.00 C ATOM 353 OG SER A 24 7.871 1.044 -7.030 1.00 0.00 O ATOM 0 H SER A 24 4.483 -1.423 -6.331 1.00 0.00 H new ATOM 0 HA SER A 24 6.279 0.439 -5.332 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.436 0.249 -8.289 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.102 1.869 -7.712 1.00 0.00 H new ATOM 0 HG SER A 24 8.275 0.158 -6.922 1.00 0.00 H new ATOM 359 N LEU A 25 3.584 0.728 -5.148 1.00 0.00 N ATOM 360 CA LEU A 25 2.259 1.395 -5.000 1.00 0.00 C ATOM 361 C LEU A 25 1.393 1.047 -6.214 1.00 0.00 C ATOM 362 O LEU A 25 0.344 1.622 -6.427 1.00 0.00 O ATOM 363 CB LEU A 25 2.449 2.912 -4.931 1.00 0.00 C ATOM 364 CG LEU A 25 3.733 3.235 -4.168 1.00 0.00 C ATOM 365 CD1 LEU A 25 4.825 3.650 -5.157 1.00 0.00 C ATOM 366 CD2 LEU A 25 3.469 4.382 -3.192 1.00 0.00 C ATOM 0 H LEU A 25 3.801 0.029 -4.438 1.00 0.00 H new ATOM 0 HA LEU A 25 1.776 1.053 -4.085 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.498 3.328 -5.937 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.594 3.373 -4.436 1.00 0.00 H new ATOM 0 HG LEU A 25 4.059 2.353 -3.616 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.741 3.880 -4.612 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.013 2.834 -5.855 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.500 4.532 -5.709 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.384 4.614 -2.647 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.143 5.263 -3.745 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.691 4.088 -2.487 1.00 0.00 H new ATOM 378 N ALA A 26 1.824 0.103 -7.009 1.00 0.00 N ATOM 379 CA ALA A 26 1.028 -0.290 -8.204 1.00 0.00 C ATOM 380 C ALA A 26 0.227 -1.550 -7.877 1.00 0.00 C ATOM 381 O ALA A 26 -0.450 -2.104 -8.721 1.00 0.00 O ATOM 382 CB ALA A 26 1.967 -0.572 -9.378 1.00 0.00 C ATOM 0 H ALA A 26 2.695 -0.412 -6.880 1.00 0.00 H new ATOM 0 HA ALA A 26 0.350 0.519 -8.475 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.381 -0.859 -10.251 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.543 0.325 -9.607 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.646 -1.382 -9.114 1.00 0.00 H new ATOM 388 N ALA A 27 0.295 -2.005 -6.655 1.00 0.00 N ATOM 389 CA ALA A 27 -0.468 -3.221 -6.272 1.00 0.00 C ATOM 390 C ALA A 27 -1.529 -2.831 -5.246 1.00 0.00 C ATOM 391 O ALA A 27 -2.701 -2.770 -5.553 1.00 0.00 O ATOM 392 CB ALA A 27 0.480 -4.258 -5.667 1.00 0.00 C ATOM 0 H ALA A 27 0.847 -1.585 -5.907 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.945 -3.652 -7.153 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.084 -5.148 -5.388 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.241 -4.526 -6.400 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.960 -3.840 -4.782 1.00 0.00 H new ATOM 398 N LEU A 28 -1.135 -2.543 -4.035 1.00 0.00 N ATOM 399 CA LEU A 28 -2.161 -2.139 -3.027 1.00 0.00 C ATOM 400 C LEU A 28 -2.823 -0.879 -3.518 1.00 0.00 C ATOM 401 O LEU A 28 -4.010 -0.813 -3.661 1.00 0.00 O ATOM 402 CB LEU A 28 -1.573 -1.809 -1.653 1.00 0.00 C ATOM 403 CG LEU A 28 -0.252 -2.503 -1.438 1.00 0.00 C ATOM 404 CD1 LEU A 28 0.410 -1.934 -0.193 1.00 0.00 C ATOM 405 CD2 LEU A 28 -0.507 -3.994 -1.240 1.00 0.00 C ATOM 0 H LEU A 28 -0.171 -2.568 -3.703 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.842 -2.983 -2.916 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.438 -0.731 -1.563 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.274 -2.109 -0.874 1.00 0.00 H new ATOM 0 HG LEU A 28 0.398 -2.350 -2.300 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.366 -2.431 -0.030 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.574 -0.865 -0.325 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.236 -2.098 0.670 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.442 -4.508 -1.083 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.147 -4.141 -0.370 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.998 -4.400 -2.125 1.00 0.00 H new ATOM 417 N LYS A 29 -2.067 0.140 -3.751 1.00 0.00 N ATOM 418 CA LYS A 29 -2.684 1.403 -4.203 1.00 0.00 C ATOM 419 C LYS A 29 -3.418 1.180 -5.536 1.00 0.00 C ATOM 420 O LYS A 29 -4.123 2.045 -6.013 1.00 0.00 O ATOM 421 CB LYS A 29 -1.596 2.470 -4.349 1.00 0.00 C ATOM 422 CG LYS A 29 -1.638 3.438 -3.148 1.00 0.00 C ATOM 423 CD LYS A 29 -1.122 4.824 -3.573 1.00 0.00 C ATOM 424 CE LYS A 29 -1.633 5.193 -4.974 1.00 0.00 C ATOM 425 NZ LYS A 29 -0.599 4.840 -5.988 1.00 0.00 N ATOM 0 H LYS A 29 -1.052 0.156 -3.649 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.414 1.743 -3.468 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.616 1.996 -4.410 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.740 3.023 -5.277 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.658 3.520 -2.771 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.028 3.047 -2.334 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -1.448 5.575 -2.853 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.032 4.829 -3.566 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.561 4.663 -5.186 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.857 6.259 -5.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -1.064 4.550 -6.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.005 5.667 -6.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.015 4.057 -5.631 1.00 0.00 H new ATOM 439 N LYS A 30 -3.279 0.019 -6.129 1.00 0.00 N ATOM 440 CA LYS A 30 -3.991 -0.259 -7.405 1.00 0.00 C ATOM 441 C LYS A 30 -4.767 -1.574 -7.247 1.00 0.00 C ATOM 442 O LYS A 30 -5.165 -2.203 -8.207 1.00 0.00 O ATOM 443 CB LYS A 30 -2.967 -0.375 -8.532 1.00 0.00 C ATOM 444 CG LYS A 30 -2.417 1.019 -8.858 1.00 0.00 C ATOM 445 CD LYS A 30 -3.352 1.713 -9.850 1.00 0.00 C ATOM 446 CE LYS A 30 -2.612 1.954 -11.167 1.00 0.00 C ATOM 447 NZ LYS A 30 -2.592 3.414 -11.465 1.00 0.00 N ATOM 0 H LYS A 30 -2.701 -0.746 -5.780 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.686 0.546 -7.645 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -2.155 -1.039 -8.235 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.430 -0.813 -9.417 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.331 1.611 -7.947 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.416 0.938 -9.281 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.235 1.099 -10.024 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.699 2.660 -9.437 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.593 1.572 -11.100 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.102 1.413 -11.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.089 3.579 -12.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.568 3.765 -11.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -2.105 3.918 -10.697 1.00 0.00 H new ATOM 461 N ALA A 31 -4.970 -1.982 -6.021 1.00 0.00 N ATOM 462 CA ALA A 31 -5.707 -3.250 -5.730 1.00 0.00 C ATOM 463 C ALA A 31 -6.723 -3.046 -4.585 1.00 0.00 C ATOM 464 O ALA A 31 -7.646 -3.821 -4.437 1.00 0.00 O ATOM 465 CB ALA A 31 -4.712 -4.337 -5.322 1.00 0.00 C ATOM 0 H ALA A 31 -4.650 -1.480 -5.193 1.00 0.00 H new ATOM 0 HA ALA A 31 -6.244 -3.548 -6.630 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.250 -5.261 -5.110 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.005 -4.507 -6.134 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.171 -4.019 -4.431 1.00 0.00 H new ATOM 471 N LEU A 32 -6.588 -2.008 -3.783 1.00 0.00 N ATOM 472 CA LEU A 32 -7.578 -1.787 -2.687 1.00 0.00 C ATOM 473 C LEU A 32 -8.890 -1.465 -3.315 1.00 0.00 C ATOM 474 O LEU A 32 -9.925 -1.484 -2.680 1.00 0.00 O ATOM 475 CB LEU A 32 -7.128 -0.644 -1.770 1.00 0.00 C ATOM 476 CG LEU A 32 -5.844 -1.026 -1.022 1.00 0.00 C ATOM 477 CD1 LEU A 32 -5.460 -2.463 -1.314 1.00 0.00 C ATOM 478 CD2 LEU A 32 -4.700 -0.086 -1.407 1.00 0.00 C ATOM 0 H LEU A 32 -5.842 -1.315 -3.844 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.662 -2.684 -2.073 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.958 0.257 -2.359 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.917 -0.412 -1.055 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.032 -0.929 0.047 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.547 -2.713 -0.774 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.264 -3.126 -0.995 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.293 -2.585 -2.384 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.797 -0.371 -0.867 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.518 -0.154 -2.480 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.968 0.938 -1.149 1.00 0.00 H new ATOM 490 N ALA A 33 -8.851 -1.220 -4.581 1.00 0.00 N ATOM 491 CA ALA A 33 -10.098 -0.958 -5.319 1.00 0.00 C ATOM 492 C ALA A 33 -11.172 -1.938 -4.810 1.00 0.00 C ATOM 493 O ALA A 33 -12.354 -1.673 -4.881 1.00 0.00 O ATOM 494 CB ALA A 33 -9.867 -1.180 -6.816 1.00 0.00 C ATOM 0 H ALA A 33 -8.000 -1.190 -5.142 1.00 0.00 H new ATOM 0 HA ALA A 33 -10.421 0.071 -5.162 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -10.792 -0.985 -7.360 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -9.089 -0.503 -7.169 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -9.555 -2.210 -6.987 1.00 0.00 H new ATOM 500 N ALA A 34 -10.748 -3.074 -4.282 1.00 0.00 N ATOM 501 CA ALA A 34 -11.715 -4.079 -3.744 1.00 0.00 C ATOM 502 C ALA A 34 -12.919 -4.154 -4.664 1.00 0.00 C ATOM 503 O ALA A 34 -14.021 -4.453 -4.250 1.00 0.00 O ATOM 504 CB ALA A 34 -12.168 -3.659 -2.345 1.00 0.00 C ATOM 0 H ALA A 34 -9.767 -3.341 -4.204 1.00 0.00 H new ATOM 0 HA ALA A 34 -11.233 -5.055 -3.688 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -12.873 -4.393 -1.955 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -11.303 -3.600 -1.685 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.652 -2.684 -2.397 1.00 0.00 H new ATOM 510 N GLY A 35 -12.711 -3.874 -5.910 1.00 0.00 N ATOM 511 CA GLY A 35 -13.846 -3.911 -6.878 1.00 0.00 C ATOM 512 C GLY A 35 -14.576 -2.565 -6.843 1.00 0.00 C ATOM 513 O GLY A 35 -14.616 -1.846 -7.821 1.00 0.00 O ATOM 0 H GLY A 35 -11.807 -3.620 -6.308 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -13.477 -4.113 -7.883 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -14.532 -4.718 -6.623 1.00 0.00 H new ATOM 517 N GLY A 36 -15.131 -2.205 -5.713 1.00 0.00 N ATOM 518 CA GLY A 36 -15.829 -0.891 -5.613 1.00 0.00 C ATOM 519 C GLY A 36 -14.755 0.177 -5.468 1.00 0.00 C ATOM 520 O GLY A 36 -14.613 1.057 -6.295 1.00 0.00 O ATOM 0 H GLY A 36 -15.130 -2.763 -4.859 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -16.436 -0.709 -6.500 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.504 -0.877 -4.757 1.00 0.00 H new ATOM 524 N TYR A 37 -13.961 0.069 -4.440 1.00 0.00 N ATOM 525 CA TYR A 37 -12.846 1.030 -4.248 1.00 0.00 C ATOM 526 C TYR A 37 -12.144 1.176 -5.592 1.00 0.00 C ATOM 527 O TYR A 37 -12.097 0.239 -6.364 1.00 0.00 O ATOM 528 CB TYR A 37 -11.877 0.436 -3.198 1.00 0.00 C ATOM 529 CG TYR A 37 -12.109 1.085 -1.851 1.00 0.00 C ATOM 530 CD1 TYR A 37 -13.288 1.804 -1.598 1.00 0.00 C ATOM 531 CD2 TYR A 37 -11.140 0.964 -0.851 1.00 0.00 C ATOM 532 CE1 TYR A 37 -13.490 2.397 -0.349 1.00 0.00 C ATOM 533 CE2 TYR A 37 -11.346 1.556 0.398 1.00 0.00 C ATOM 534 CZ TYR A 37 -12.521 2.273 0.650 1.00 0.00 C ATOM 535 OH TYR A 37 -12.721 2.859 1.883 1.00 0.00 O ATOM 0 H TYR A 37 -14.039 -0.650 -3.721 1.00 0.00 H new ATOM 0 HA TYR A 37 -13.195 2.003 -3.902 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -12.026 -0.641 -3.122 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -10.846 0.593 -3.513 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -14.039 1.899 -2.369 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -10.232 0.413 -1.044 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -14.396 2.952 -0.156 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -10.597 1.460 1.170 1.00 0.00 H new ATOM 0 HH TYR A 37 -11.951 2.675 2.461 1.00 0.00 H new ATOM 545 N ASP A 38 -11.585 2.307 -5.899 1.00 0.00 N ATOM 546 CA ASP A 38 -10.893 2.415 -7.195 1.00 0.00 C ATOM 547 C ASP A 38 -9.720 3.371 -7.059 1.00 0.00 C ATOM 548 O ASP A 38 -9.209 3.864 -8.042 1.00 0.00 O ATOM 549 CB ASP A 38 -11.867 2.895 -8.280 1.00 0.00 C ATOM 550 CG ASP A 38 -12.633 4.113 -7.775 1.00 0.00 C ATOM 551 OD1 ASP A 38 -12.330 4.564 -6.687 1.00 0.00 O ATOM 552 OD2 ASP A 38 -13.511 4.574 -8.486 1.00 0.00 O ATOM 0 H ASP A 38 -11.579 3.145 -5.317 1.00 0.00 H new ATOM 0 HA ASP A 38 -10.518 1.435 -7.491 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -11.320 3.147 -9.188 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -12.562 2.096 -8.538 1.00 0.00 H new ATOM 557 N VAL A 39 -9.284 3.654 -5.847 1.00 0.00 N ATOM 558 CA VAL A 39 -8.148 4.575 -5.686 1.00 0.00 C ATOM 559 C VAL A 39 -8.470 5.821 -6.496 1.00 0.00 C ATOM 560 O VAL A 39 -7.606 6.571 -6.908 1.00 0.00 O ATOM 561 CB VAL A 39 -6.869 3.868 -6.168 1.00 0.00 C ATOM 562 CG1 VAL A 39 -6.949 2.379 -5.796 1.00 0.00 C ATOM 563 CG2 VAL A 39 -6.718 3.968 -7.687 1.00 0.00 C ATOM 0 H VAL A 39 -9.674 3.282 -4.981 1.00 0.00 H new ATOM 0 HA VAL A 39 -7.982 4.864 -4.648 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.016 4.351 -5.692 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.046 1.870 -6.134 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.039 2.279 -4.714 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.819 1.930 -6.275 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.805 3.459 -7.996 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.576 3.500 -8.170 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.665 5.017 -7.979 1.00 0.00 H new ATOM 573 N GLU A 40 -9.740 6.034 -6.710 1.00 0.00 N ATOM 574 CA GLU A 40 -10.202 7.204 -7.473 1.00 0.00 C ATOM 575 C GLU A 40 -11.253 7.922 -6.634 1.00 0.00 C ATOM 576 O GLU A 40 -10.979 8.924 -6.005 1.00 0.00 O ATOM 577 CB GLU A 40 -10.807 6.734 -8.791 1.00 0.00 C ATOM 578 CG GLU A 40 -9.687 6.379 -9.770 1.00 0.00 C ATOM 579 CD GLU A 40 -10.256 6.289 -11.187 1.00 0.00 C ATOM 580 OE1 GLU A 40 -11.366 6.753 -11.390 1.00 0.00 O ATOM 581 OE2 GLU A 40 -9.572 5.757 -12.046 1.00 0.00 O ATOM 0 H GLU A 40 -10.486 5.425 -6.375 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.376 7.881 -7.692 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.445 5.866 -8.622 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.438 7.516 -9.213 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.902 7.134 -9.730 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.231 5.430 -9.489 1.00 0.00 H new ATOM 588 N LYS A 41 -12.447 7.396 -6.579 1.00 0.00 N ATOM 589 CA LYS A 41 -13.482 8.039 -5.729 1.00 0.00 C ATOM 590 C LYS A 41 -13.091 7.789 -4.267 1.00 0.00 C ATOM 591 O LYS A 41 -13.576 8.438 -3.361 1.00 0.00 O ATOM 592 CB LYS A 41 -14.866 7.451 -6.033 1.00 0.00 C ATOM 593 CG LYS A 41 -15.918 8.142 -5.161 1.00 0.00 C ATOM 594 CD LYS A 41 -17.306 7.600 -5.509 1.00 0.00 C ATOM 595 CE LYS A 41 -17.711 8.091 -6.901 1.00 0.00 C ATOM 596 NZ LYS A 41 -17.335 7.067 -7.917 1.00 0.00 N ATOM 0 H LYS A 41 -12.745 6.559 -7.080 1.00 0.00 H new ATOM 0 HA LYS A 41 -13.536 9.109 -5.929 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -15.107 7.586 -7.087 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -14.867 6.378 -5.841 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -15.702 7.969 -4.107 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.887 9.220 -5.320 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -17.300 6.510 -5.484 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -18.034 7.932 -4.769 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -18.785 8.276 -6.935 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -17.217 9.037 -7.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -16.709 7.497 -8.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -16.840 6.280 -7.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -18.193 6.708 -8.382 1.00 0.00 H new ATOM 610 N ASN A 42 -12.161 6.884 -4.041 1.00 0.00 N ATOM 611 CA ASN A 42 -11.670 6.623 -2.664 1.00 0.00 C ATOM 612 C ASN A 42 -10.154 6.715 -2.740 1.00 0.00 C ATOM 613 O ASN A 42 -9.438 6.086 -1.990 1.00 0.00 O ATOM 614 CB ASN A 42 -12.073 5.225 -2.171 1.00 0.00 C ATOM 615 CG ASN A 42 -13.320 4.744 -2.903 1.00 0.00 C ATOM 616 OD1 ASN A 42 -14.370 4.586 -2.312 1.00 0.00 O ATOM 617 ND2 ASN A 42 -13.244 4.504 -4.174 1.00 0.00 N ATOM 0 H ASN A 42 -11.724 6.315 -4.766 1.00 0.00 H new ATOM 0 HA ASN A 42 -12.100 7.340 -1.965 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -11.254 4.524 -2.335 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -12.261 5.251 -1.098 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -14.067 4.181 -4.682 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -12.361 4.638 -4.666 1.00 0.00 H new ATOM 624 N ASN A 43 -9.668 7.497 -3.672 1.00 0.00 N ATOM 625 CA ASN A 43 -8.201 7.656 -3.842 1.00 0.00 C ATOM 626 C ASN A 43 -7.644 8.351 -2.610 1.00 0.00 C ATOM 627 O ASN A 43 -6.459 8.322 -2.345 1.00 0.00 O ATOM 628 CB ASN A 43 -7.920 8.511 -5.082 1.00 0.00 C ATOM 629 CG ASN A 43 -8.266 9.974 -4.790 1.00 0.00 C ATOM 630 OD1 ASN A 43 -9.395 10.292 -4.473 1.00 0.00 O ATOM 631 ND2 ASN A 43 -7.335 10.883 -4.883 1.00 0.00 N ATOM 0 H ASN A 43 -10.236 8.035 -4.326 1.00 0.00 H new ATOM 0 HA ASN A 43 -7.731 6.681 -3.966 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -6.871 8.425 -5.365 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -8.508 8.150 -5.926 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.555 11.860 -4.690 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -6.387 10.617 -5.149 1.00 0.00 H new ATOM 638 N SER A 44 -8.496 8.974 -1.847 1.00 0.00 N ATOM 639 CA SER A 44 -8.017 9.663 -0.628 1.00 0.00 C ATOM 640 C SER A 44 -7.664 8.617 0.424 1.00 0.00 C ATOM 641 O SER A 44 -7.193 8.939 1.496 1.00 0.00 O ATOM 642 CB SER A 44 -9.103 10.596 -0.092 1.00 0.00 C ATOM 643 OG SER A 44 -8.548 11.888 0.121 1.00 0.00 O ATOM 0 H SER A 44 -9.500 9.034 -2.017 1.00 0.00 H new ATOM 0 HA SER A 44 -7.135 10.258 -0.866 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.930 10.655 -0.800 1.00 0.00 H new ATOM 0 HB3 SER A 44 -9.509 10.203 0.840 1.00 0.00 H new ATOM 0 HG SER A 44 -9.242 12.490 0.463 1.00 0.00 H new ATOM 649 N ARG A 45 -7.854 7.361 0.121 1.00 0.00 N ATOM 650 CA ARG A 45 -7.477 6.319 1.107 1.00 0.00 C ATOM 651 C ARG A 45 -6.340 5.503 0.510 1.00 0.00 C ATOM 652 O ARG A 45 -5.589 4.854 1.210 1.00 0.00 O ATOM 653 CB ARG A 45 -8.654 5.405 1.442 1.00 0.00 C ATOM 654 CG ARG A 45 -9.690 6.184 2.256 1.00 0.00 C ATOM 655 CD ARG A 45 -9.599 5.770 3.726 1.00 0.00 C ATOM 656 NE ARG A 45 -9.506 6.988 4.580 1.00 0.00 N ATOM 657 CZ ARG A 45 -10.400 7.206 5.505 1.00 0.00 C ATOM 658 NH1 ARG A 45 -10.823 6.222 6.251 1.00 0.00 N ATOM 659 NH2 ARG A 45 -10.873 8.410 5.683 1.00 0.00 N ATOM 0 H ARG A 45 -8.249 7.019 -0.755 1.00 0.00 H new ATOM 0 HA ARG A 45 -7.169 6.798 2.036 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -9.106 5.026 0.525 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.307 4.540 2.008 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -9.515 7.255 2.157 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -10.692 5.988 1.873 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.474 5.183 4.005 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -8.727 5.135 3.883 1.00 0.00 H new ATOM 0 HE ARG A 45 -8.743 7.651 4.441 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.455 5.281 6.111 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -11.522 6.394 6.974 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -10.544 9.179 5.099 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -11.572 8.582 6.406 1.00 0.00 H new ATOM 673 N ILE A 46 -6.198 5.542 -0.785 1.00 0.00 N ATOM 674 CA ILE A 46 -5.095 4.791 -1.420 1.00 0.00 C ATOM 675 C ILE A 46 -3.833 5.654 -1.405 1.00 0.00 C ATOM 676 O ILE A 46 -2.819 5.244 -0.919 1.00 0.00 O ATOM 677 CB ILE A 46 -5.489 4.399 -2.860 1.00 0.00 C ATOM 678 CG1 ILE A 46 -5.588 2.878 -2.923 1.00 0.00 C ATOM 679 CG2 ILE A 46 -4.443 4.872 -3.891 1.00 0.00 C ATOM 680 CD1 ILE A 46 -7.055 2.469 -3.005 1.00 0.00 C ATOM 0 H ILE A 46 -6.799 6.062 -1.425 1.00 0.00 H new ATOM 0 HA ILE A 46 -4.897 3.873 -0.867 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.438 4.876 -3.104 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.045 2.503 -3.791 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.124 2.435 -2.041 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -4.758 4.576 -4.891 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.352 5.957 -3.845 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.478 4.417 -3.665 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -7.128 1.382 -3.050 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -7.584 2.832 -2.124 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -7.503 2.900 -3.900 1.00 0.00 H new ATOM 692 N LYS A 47 -3.874 6.843 -1.934 1.00 0.00 N ATOM 693 CA LYS A 47 -2.629 7.671 -1.922 1.00 0.00 C ATOM 694 C LYS A 47 -2.548 8.450 -0.615 1.00 0.00 C ATOM 695 O LYS A 47 -1.736 9.338 -0.447 1.00 0.00 O ATOM 696 CB LYS A 47 -2.602 8.624 -3.111 1.00 0.00 C ATOM 697 CG LYS A 47 -3.577 8.159 -4.197 1.00 0.00 C ATOM 698 CD LYS A 47 -3.413 9.038 -5.438 1.00 0.00 C ATOM 699 CE LYS A 47 -4.106 8.376 -6.631 1.00 0.00 C ATOM 700 NZ LYS A 47 -4.766 9.420 -7.465 1.00 0.00 N ATOM 0 H LYS A 47 -4.692 7.273 -2.365 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.766 7.010 -2.001 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.866 9.630 -2.784 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.593 8.676 -3.519 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.387 7.116 -4.449 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.602 8.217 -3.830 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.841 10.024 -5.257 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.355 9.185 -5.655 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.379 7.825 -7.228 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.844 7.654 -6.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.237 8.970 -8.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.471 9.927 -6.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.051 10.092 -7.809 1.00 0.00 H new ATOM 714 N LEU A 48 -3.365 8.084 0.323 1.00 0.00 N ATOM 715 CA LEU A 48 -3.347 8.737 1.651 1.00 0.00 C ATOM 716 C LEU A 48 -3.231 7.612 2.672 1.00 0.00 C ATOM 717 O LEU A 48 -2.393 7.631 3.552 1.00 0.00 O ATOM 718 CB LEU A 48 -4.640 9.521 1.856 1.00 0.00 C ATOM 719 CG LEU A 48 -4.312 10.999 2.058 1.00 0.00 C ATOM 720 CD1 LEU A 48 -5.104 11.840 1.056 1.00 0.00 C ATOM 721 CD2 LEU A 48 -4.688 11.415 3.482 1.00 0.00 C ATOM 0 H LEU A 48 -4.059 7.344 0.222 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.520 9.440 1.749 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.294 9.397 0.993 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.179 9.135 2.722 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.245 11.158 1.902 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.870 12.895 1.201 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.837 11.545 0.041 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.171 11.681 1.211 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.454 12.470 3.627 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.755 11.255 3.638 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.123 10.817 4.197 1.00 0.00 H new ATOM 733 N GLY A 49 -4.045 6.602 2.517 1.00 0.00 N ATOM 734 CA GLY A 49 -3.969 5.433 3.420 1.00 0.00 C ATOM 735 C GLY A 49 -2.714 4.643 3.051 1.00 0.00 C ATOM 736 O GLY A 49 -2.078 4.069 3.903 1.00 0.00 O ATOM 0 H GLY A 49 -4.763 6.543 1.795 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.926 5.755 4.460 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -4.858 4.810 3.316 1.00 0.00 H new ATOM 740 N LEU A 50 -2.344 4.641 1.781 1.00 0.00 N ATOM 741 CA LEU A 50 -1.103 3.917 1.341 1.00 0.00 C ATOM 742 C LEU A 50 0.072 4.874 1.453 1.00 0.00 C ATOM 743 O LEU A 50 1.113 4.535 1.984 1.00 0.00 O ATOM 744 CB LEU A 50 -1.205 3.457 -0.106 1.00 0.00 C ATOM 745 CG LEU A 50 0.011 2.602 -0.441 1.00 0.00 C ATOM 746 CD1 LEU A 50 -0.437 1.337 -1.159 1.00 0.00 C ATOM 747 CD2 LEU A 50 0.928 3.397 -1.366 1.00 0.00 C ATOM 0 H LEU A 50 -2.852 5.112 1.033 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.973 3.040 1.975 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.121 2.885 -0.256 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.255 4.318 -0.772 1.00 0.00 H new ATOM 0 HG LEU A 50 0.536 2.334 0.476 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.434 0.726 -1.398 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.110 0.772 -0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.956 1.605 -2.079 1.00 0.00 H new ATOM 0 HD21 LEU A 50 1.803 2.797 -1.614 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.391 3.651 -2.280 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.245 4.312 -0.865 1.00 0.00 H new ATOM 759 N LYS A 51 -0.092 6.089 1.014 1.00 0.00 N ATOM 760 CA LYS A 51 1.013 7.056 1.187 1.00 0.00 C ATOM 761 C LYS A 51 1.316 7.049 2.683 1.00 0.00 C ATOM 762 O LYS A 51 2.409 7.346 3.124 1.00 0.00 O ATOM 763 CB LYS A 51 0.568 8.452 0.738 1.00 0.00 C ATOM 764 CG LYS A 51 1.606 9.488 1.171 1.00 0.00 C ATOM 765 CD LYS A 51 2.861 9.344 0.308 1.00 0.00 C ATOM 766 CE LYS A 51 4.104 9.446 1.192 1.00 0.00 C ATOM 767 NZ LYS A 51 4.841 10.700 0.870 1.00 0.00 N ATOM 0 H LYS A 51 -0.928 6.446 0.552 1.00 0.00 H new ATOM 0 HA LYS A 51 1.888 6.793 0.593 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.447 8.475 -0.345 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.403 8.692 1.172 1.00 0.00 H new ATOM 0 HG2 LYS A 51 1.196 10.493 1.071 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.857 9.350 2.223 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.849 8.386 -0.212 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.881 10.121 -0.456 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.817 9.440 2.244 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.749 8.582 1.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.687 10.770 1.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.127 10.688 -0.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.224 11.519 1.044 1.00 0.00 H new ATOM 781 N SER A 52 0.328 6.663 3.459 1.00 0.00 N ATOM 782 CA SER A 52 0.497 6.570 4.926 1.00 0.00 C ATOM 783 C SER A 52 0.669 5.095 5.301 1.00 0.00 C ATOM 784 O SER A 52 1.178 4.780 6.350 1.00 0.00 O ATOM 785 CB SER A 52 -0.738 7.138 5.625 1.00 0.00 C ATOM 786 OG SER A 52 -0.625 6.923 7.026 1.00 0.00 O ATOM 0 H SER A 52 -0.600 6.407 3.121 1.00 0.00 H new ATOM 0 HA SER A 52 1.371 7.141 5.238 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.831 8.204 5.415 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.639 6.658 5.243 1.00 0.00 H new ATOM 0 HG SER A 52 -1.415 7.287 7.478 1.00 0.00 H new ATOM 792 N LEU A 53 0.275 4.174 4.451 1.00 0.00 N ATOM 793 CA LEU A 53 0.478 2.742 4.808 1.00 0.00 C ATOM 794 C LEU A 53 1.967 2.451 4.650 1.00 0.00 C ATOM 795 O LEU A 53 2.687 2.287 5.614 1.00 0.00 O ATOM 796 CB LEU A 53 -0.329 1.827 3.876 1.00 0.00 C ATOM 797 CG LEU A 53 -0.591 0.487 4.565 1.00 0.00 C ATOM 798 CD1 LEU A 53 0.726 -0.267 4.719 1.00 0.00 C ATOM 799 CD2 LEU A 53 -1.208 0.724 5.946 1.00 0.00 C ATOM 0 H LEU A 53 -0.167 4.350 3.549 1.00 0.00 H new ATOM 0 HA LEU A 53 0.141 2.555 5.828 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.274 2.302 3.614 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.217 1.668 2.946 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.282 -0.100 3.960 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.543 -1.223 5.210 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.162 -0.442 3.736 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.415 0.324 5.322 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.392 -0.234 6.432 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.522 1.313 6.555 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.150 1.262 5.836 1.00 0.00 H new ATOM 811 N VAL A 54 2.433 2.406 3.435 1.00 0.00 N ATOM 812 CA VAL A 54 3.875 2.150 3.191 1.00 0.00 C ATOM 813 C VAL A 54 4.754 3.138 3.983 1.00 0.00 C ATOM 814 O VAL A 54 5.809 2.783 4.469 1.00 0.00 O ATOM 815 CB VAL A 54 4.113 2.316 1.689 1.00 0.00 C ATOM 816 CG1 VAL A 54 5.537 2.814 1.408 1.00 0.00 C ATOM 817 CG2 VAL A 54 3.894 0.970 0.998 1.00 0.00 C ATOM 0 H VAL A 54 1.870 2.537 2.594 1.00 0.00 H new ATOM 0 HA VAL A 54 4.142 1.146 3.522 1.00 0.00 H new ATOM 0 HB VAL A 54 3.412 3.056 1.303 1.00 0.00 H new ATOM 0 HG11 VAL A 54 5.679 2.923 0.333 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.688 3.778 1.894 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.257 2.095 1.798 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.062 1.080 -0.073 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.592 0.236 1.401 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.872 0.633 1.173 1.00 0.00 H new ATOM 827 N SER A 55 4.355 4.376 4.078 1.00 0.00 N ATOM 828 CA SER A 55 5.204 5.380 4.794 1.00 0.00 C ATOM 829 C SER A 55 5.060 5.277 6.320 1.00 0.00 C ATOM 830 O SER A 55 6.039 5.145 7.028 1.00 0.00 O ATOM 831 CB SER A 55 4.801 6.785 4.348 1.00 0.00 C ATOM 832 OG SER A 55 5.892 7.673 4.553 1.00 0.00 O ATOM 0 H SER A 55 3.482 4.739 3.694 1.00 0.00 H new ATOM 0 HA SER A 55 6.245 5.175 4.543 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.516 6.777 3.296 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.931 7.123 4.912 1.00 0.00 H new ATOM 0 HG SER A 55 5.638 8.575 4.266 1.00 0.00 H new ATOM 838 N LYS A 56 3.862 5.369 6.834 1.00 0.00 N ATOM 839 CA LYS A 56 3.666 5.310 8.318 1.00 0.00 C ATOM 840 C LYS A 56 4.597 4.273 8.931 1.00 0.00 C ATOM 841 O LYS A 56 5.326 4.551 9.863 1.00 0.00 O ATOM 842 CB LYS A 56 2.222 4.929 8.641 1.00 0.00 C ATOM 843 CG LYS A 56 2.073 4.716 10.149 1.00 0.00 C ATOM 844 CD LYS A 56 1.548 3.304 10.418 1.00 0.00 C ATOM 845 CE LYS A 56 1.098 3.193 11.877 1.00 0.00 C ATOM 846 NZ LYS A 56 1.818 2.066 12.536 1.00 0.00 N ATOM 0 H LYS A 56 3.006 5.483 6.291 1.00 0.00 H new ATOM 0 HA LYS A 56 3.890 6.293 8.733 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.544 5.714 8.306 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.947 4.020 8.106 1.00 0.00 H new ATOM 0 HG2 LYS A 56 3.034 4.858 10.643 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.388 5.455 10.565 1.00 0.00 H new ATOM 0 HD2 LYS A 56 0.714 3.082 9.752 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.326 2.570 10.210 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.302 4.126 12.403 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.022 3.028 11.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.512 1.991 13.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.602 1.178 12.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.843 2.242 12.502 1.00 0.00 H new ATOM 860 N GLY A 57 4.579 3.079 8.422 1.00 0.00 N ATOM 861 CA GLY A 57 5.471 2.029 8.991 1.00 0.00 C ATOM 862 C GLY A 57 4.851 0.644 8.806 1.00 0.00 C ATOM 863 O GLY A 57 5.541 -0.357 8.838 1.00 0.00 O ATOM 0 H GLY A 57 3.992 2.782 7.643 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.445 2.067 8.503 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.638 2.221 10.051 1.00 0.00 H new ATOM 867 N THR A 58 3.563 0.563 8.602 1.00 0.00 N ATOM 868 CA THR A 58 2.947 -0.774 8.405 1.00 0.00 C ATOM 869 C THR A 58 3.711 -1.470 7.289 1.00 0.00 C ATOM 870 O THR A 58 4.405 -2.438 7.508 1.00 0.00 O ATOM 871 CB THR A 58 1.473 -0.623 8.015 1.00 0.00 C ATOM 872 OG1 THR A 58 0.980 0.620 8.495 1.00 0.00 O ATOM 873 CG2 THR A 58 0.666 -1.765 8.633 1.00 0.00 C ATOM 0 H THR A 58 2.921 1.355 8.564 1.00 0.00 H new ATOM 0 HA THR A 58 2.995 -1.356 9.325 1.00 0.00 H new ATOM 0 HB THR A 58 1.378 -0.655 6.930 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.001 0.590 8.536 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.383 -1.660 8.357 1.00 0.00 H new ATOM 0 HG22 THR A 58 1.044 -2.719 8.265 1.00 0.00 H new ATOM 0 HG23 THR A 58 0.761 -1.732 9.718 1.00 0.00 H new ATOM 881 N LEU A 59 3.602 -0.963 6.098 1.00 0.00 N ATOM 882 CA LEU A 59 4.325 -1.564 4.955 1.00 0.00 C ATOM 883 C LEU A 59 5.628 -0.789 4.719 1.00 0.00 C ATOM 884 O LEU A 59 5.768 -0.066 3.754 1.00 0.00 O ATOM 885 CB LEU A 59 3.427 -1.459 3.736 1.00 0.00 C ATOM 886 CG LEU A 59 3.930 -2.368 2.625 1.00 0.00 C ATOM 887 CD1 LEU A 59 3.678 -3.830 2.995 1.00 0.00 C ATOM 888 CD2 LEU A 59 3.185 -2.036 1.333 1.00 0.00 C ATOM 0 H LEU A 59 3.035 -0.147 5.867 1.00 0.00 H new ATOM 0 HA LEU A 59 4.571 -2.608 5.152 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.406 -1.733 4.004 1.00 0.00 H new ATOM 0 HB3 LEU A 59 3.399 -0.427 3.385 1.00 0.00 H new ATOM 0 HG LEU A 59 5.000 -2.214 2.487 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.041 -4.475 2.195 1.00 0.00 H new ATOM 0 HD12 LEU A 59 4.204 -4.067 3.919 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.609 -3.991 3.135 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.540 -2.684 0.531 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.116 -2.192 1.479 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.366 -0.995 1.066 1.00 0.00 H new ATOM 900 N VAL A 60 6.571 -0.915 5.611 1.00 0.00 N ATOM 901 CA VAL A 60 7.854 -0.163 5.462 1.00 0.00 C ATOM 902 C VAL A 60 8.577 -0.541 4.167 1.00 0.00 C ATOM 903 O VAL A 60 8.872 -1.692 3.912 1.00 0.00 O ATOM 904 CB VAL A 60 8.772 -0.458 6.652 1.00 0.00 C ATOM 905 CG1 VAL A 60 8.404 0.463 7.816 1.00 0.00 C ATOM 906 CG2 VAL A 60 8.607 -1.917 7.086 1.00 0.00 C ATOM 0 H VAL A 60 6.511 -1.507 6.439 1.00 0.00 H new ATOM 0 HA VAL A 60 7.614 0.900 5.428 1.00 0.00 H new ATOM 0 HB VAL A 60 9.808 -0.285 6.359 1.00 0.00 H new ATOM 0 HG11 VAL A 60 9.056 0.255 8.665 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.526 1.502 7.510 1.00 0.00 H new ATOM 0 HG13 VAL A 60 7.367 0.289 8.104 1.00 0.00 H new ATOM 0 HG21 VAL A 60 9.262 -2.121 7.933 1.00 0.00 H new ATOM 0 HG22 VAL A 60 7.572 -2.095 7.377 1.00 0.00 H new ATOM 0 HG23 VAL A 60 8.869 -2.575 6.257 1.00 0.00 H new ATOM 916 N GLN A 61 8.880 0.440 3.360 1.00 0.00 N ATOM 917 CA GLN A 61 9.606 0.187 2.082 1.00 0.00 C ATOM 918 C GLN A 61 11.029 0.736 2.207 1.00 0.00 C ATOM 919 O GLN A 61 11.259 1.737 2.856 1.00 0.00 O ATOM 920 CB GLN A 61 8.875 0.905 0.947 1.00 0.00 C ATOM 921 CG GLN A 61 8.754 2.390 1.296 1.00 0.00 C ATOM 922 CD GLN A 61 8.184 3.173 0.109 1.00 0.00 C ATOM 923 OE1 GLN A 61 7.882 4.343 0.234 1.00 0.00 O ATOM 924 NE2 GLN A 61 8.019 2.582 -1.043 1.00 0.00 N ATOM 0 H GLN A 61 8.652 1.419 3.535 1.00 0.00 H new ATOM 0 HA GLN A 61 9.643 -0.882 1.872 1.00 0.00 H new ATOM 0 HB2 GLN A 61 9.419 0.781 0.011 1.00 0.00 H new ATOM 0 HB3 GLN A 61 7.886 0.470 0.801 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.108 2.514 2.165 1.00 0.00 H new ATOM 0 HG3 GLN A 61 9.732 2.788 1.566 1.00 0.00 H new ATOM 0 HE21 GLN A 61 8.271 1.600 -1.153 1.00 0.00 H new ATOM 0 HE22 GLN A 61 7.638 3.102 -1.833 1.00 0.00 H new ATOM 933 N THR A 62 11.989 0.088 1.604 1.00 0.00 N ATOM 934 CA THR A 62 13.391 0.583 1.712 1.00 0.00 C ATOM 935 C THR A 62 14.003 0.759 0.321 1.00 0.00 C ATOM 936 O THR A 62 15.007 0.158 -0.004 1.00 0.00 O ATOM 937 CB THR A 62 14.227 -0.422 2.509 1.00 0.00 C ATOM 938 OG1 THR A 62 15.606 -0.118 2.351 1.00 0.00 O ATOM 939 CG2 THR A 62 13.952 -1.836 1.996 1.00 0.00 C ATOM 0 H THR A 62 11.865 -0.756 1.045 1.00 0.00 H new ATOM 0 HA THR A 62 13.385 1.547 2.221 1.00 0.00 H new ATOM 0 HB THR A 62 13.960 -0.363 3.564 1.00 0.00 H new ATOM 0 HG1 THR A 62 15.884 -0.327 1.435 1.00 0.00 H new ATOM 0 HG21 THR A 62 14.547 -2.551 2.564 1.00 0.00 H new ATOM 0 HG22 THR A 62 12.894 -2.068 2.117 1.00 0.00 H new ATOM 0 HG23 THR A 62 14.219 -1.899 0.941 1.00 0.00 H new ATOM 947 N LYS A 63 13.419 1.588 -0.500 1.00 0.00 N ATOM 948 CA LYS A 63 13.990 1.805 -1.862 1.00 0.00 C ATOM 949 C LYS A 63 13.782 3.265 -2.272 1.00 0.00 C ATOM 950 O LYS A 63 12.990 3.570 -3.141 1.00 0.00 O ATOM 951 CB LYS A 63 13.299 0.884 -2.872 1.00 0.00 C ATOM 952 CG LYS A 63 14.284 0.521 -3.985 1.00 0.00 C ATOM 953 CD LYS A 63 13.872 1.220 -5.283 1.00 0.00 C ATOM 954 CE LYS A 63 13.090 0.245 -6.167 1.00 0.00 C ATOM 955 NZ LYS A 63 12.010 0.981 -6.884 1.00 0.00 N ATOM 0 H LYS A 63 12.576 2.122 -0.290 1.00 0.00 H new ATOM 0 HA LYS A 63 15.056 1.577 -1.846 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.946 -0.019 -2.375 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.424 1.379 -3.293 1.00 0.00 H new ATOM 0 HG2 LYS A 63 15.293 0.821 -3.703 1.00 0.00 H new ATOM 0 HG3 LYS A 63 14.301 -0.559 -4.131 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.260 2.094 -5.059 1.00 0.00 H new ATOM 0 HD3 LYS A 63 14.756 1.577 -5.812 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.760 -0.229 -6.884 1.00 0.00 H new ATOM 0 HE3 LYS A 63 12.660 -0.550 -5.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.478 0.319 -7.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.366 1.414 -6.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.431 1.725 -7.477 1.00 0.00 H new ATOM 969 N GLY A 64 14.490 4.171 -1.653 1.00 0.00 N ATOM 970 CA GLY A 64 14.334 5.610 -2.007 1.00 0.00 C ATOM 971 C GLY A 64 14.623 5.800 -3.497 1.00 0.00 C ATOM 972 O GLY A 64 13.859 5.384 -4.344 1.00 0.00 O ATOM 0 H GLY A 64 15.169 3.976 -0.918 1.00 0.00 H new ATOM 0 HA2 GLY A 64 13.323 5.945 -1.776 1.00 0.00 H new ATOM 0 HA3 GLY A 64 15.016 6.218 -1.412 1.00 0.00 H new ATOM 976 N THR A 65 15.722 6.423 -3.823 1.00 0.00 N ATOM 977 CA THR A 65 16.058 6.635 -5.259 1.00 0.00 C ATOM 978 C THR A 65 15.017 7.559 -5.895 1.00 0.00 C ATOM 979 O THR A 65 14.906 7.648 -7.102 1.00 0.00 O ATOM 980 CB THR A 65 16.057 5.287 -5.987 1.00 0.00 C ATOM 981 OG1 THR A 65 16.661 4.304 -5.159 1.00 0.00 O ATOM 982 CG2 THR A 65 16.842 5.410 -7.294 1.00 0.00 C ATOM 0 H THR A 65 16.401 6.794 -3.158 1.00 0.00 H new ATOM 0 HA THR A 65 17.045 7.091 -5.339 1.00 0.00 H new ATOM 0 HB THR A 65 15.031 4.994 -6.210 1.00 0.00 H new ATOM 0 HG1 THR A 65 16.660 3.440 -5.622 1.00 0.00 H new ATOM 0 HG21 THR A 65 16.841 4.450 -7.811 1.00 0.00 H new ATOM 0 HG22 THR A 65 16.377 6.165 -7.928 1.00 0.00 H new ATOM 0 HG23 THR A 65 17.869 5.703 -7.075 1.00 0.00 H new ATOM 990 N GLY A 66 14.253 8.247 -5.092 1.00 0.00 N ATOM 991 CA GLY A 66 13.219 9.164 -5.649 1.00 0.00 C ATOM 992 C GLY A 66 12.202 8.355 -6.455 1.00 0.00 C ATOM 993 O GLY A 66 11.497 8.883 -7.291 1.00 0.00 O ATOM 0 H GLY A 66 14.300 8.214 -4.074 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.718 9.698 -4.841 1.00 0.00 H new ATOM 0 HA3 GLY A 66 13.688 9.915 -6.284 1.00 0.00 H new ATOM 997 N ALA A 67 12.121 7.075 -6.211 1.00 0.00 N ATOM 998 CA ALA A 67 11.149 6.234 -6.964 1.00 0.00 C ATOM 999 C ALA A 67 9.957 5.901 -6.065 1.00 0.00 C ATOM 1000 O ALA A 67 8.816 6.091 -6.437 1.00 0.00 O ATOM 1001 CB ALA A 67 11.829 4.939 -7.409 1.00 0.00 C ATOM 0 H ALA A 67 12.686 6.576 -5.523 1.00 0.00 H new ATOM 0 HA ALA A 67 10.801 6.781 -7.841 1.00 0.00 H new ATOM 0 HB1 ALA A 67 11.117 4.325 -7.960 1.00 0.00 H new ATOM 0 HB2 ALA A 67 12.677 5.176 -8.052 1.00 0.00 H new ATOM 0 HB3 ALA A 67 12.179 4.392 -6.533 1.00 0.00 H new ATOM 1007 N SER A 68 10.210 5.406 -4.882 1.00 0.00 N ATOM 1008 CA SER A 68 9.084 5.066 -3.968 1.00 0.00 C ATOM 1009 C SER A 68 9.604 4.242 -2.786 1.00 0.00 C ATOM 1010 O SER A 68 9.546 4.666 -1.648 1.00 0.00 O ATOM 1011 CB SER A 68 8.040 4.255 -4.735 1.00 0.00 C ATOM 1012 OG SER A 68 7.479 3.275 -3.873 1.00 0.00 O ATOM 0 H SER A 68 11.143 5.224 -4.512 1.00 0.00 H new ATOM 0 HA SER A 68 8.633 5.985 -3.592 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.258 4.913 -5.113 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.499 3.775 -5.600 1.00 0.00 H new ATOM 0 HG SER A 68 7.178 2.507 -4.403 1.00 0.00 H new ATOM 1018 N GLY A 69 10.106 3.065 -3.043 1.00 0.00 N ATOM 1019 CA GLY A 69 10.621 2.212 -1.932 1.00 0.00 C ATOM 1020 C GLY A 69 10.204 0.760 -2.176 1.00 0.00 C ATOM 1021 O GLY A 69 9.247 0.490 -2.874 1.00 0.00 O ATOM 0 H GLY A 69 10.182 2.656 -3.974 1.00 0.00 H new ATOM 0 HA2 GLY A 69 11.707 2.286 -1.874 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.227 2.560 -0.977 1.00 0.00 H new ATOM 1025 N SER A 70 10.908 -0.177 -1.604 1.00 0.00 N ATOM 1026 CA SER A 70 10.542 -1.609 -1.802 1.00 0.00 C ATOM 1027 C SER A 70 9.751 -2.093 -0.584 1.00 0.00 C ATOM 1028 O SER A 70 10.265 -2.791 0.266 1.00 0.00 O ATOM 1029 CB SER A 70 11.813 -2.446 -1.958 1.00 0.00 C ATOM 1030 OG SER A 70 12.570 -1.952 -3.056 1.00 0.00 O ATOM 0 H SER A 70 11.720 -0.014 -1.009 1.00 0.00 H new ATOM 0 HA SER A 70 9.934 -1.714 -2.700 1.00 0.00 H new ATOM 0 HB2 SER A 70 12.405 -2.402 -1.044 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.555 -3.492 -2.121 1.00 0.00 H new ATOM 0 HG SER A 70 13.386 -2.485 -3.157 1.00 0.00 H new ATOM 1036 N PHE A 71 8.506 -1.709 -0.489 1.00 0.00 N ATOM 1037 CA PHE A 71 7.683 -2.133 0.690 1.00 0.00 C ATOM 1038 C PHE A 71 7.739 -3.652 0.854 1.00 0.00 C ATOM 1039 O PHE A 71 7.135 -4.393 0.104 1.00 0.00 O ATOM 1040 CB PHE A 71 6.207 -1.703 0.551 1.00 0.00 C ATOM 1041 CG PHE A 71 5.987 -0.906 -0.706 1.00 0.00 C ATOM 1042 CD1 PHE A 71 5.697 -1.556 -1.906 1.00 0.00 C ATOM 1043 CD2 PHE A 71 6.078 0.487 -0.667 1.00 0.00 C ATOM 1044 CE1 PHE A 71 5.498 -0.808 -3.070 1.00 0.00 C ATOM 1045 CE2 PHE A 71 5.878 1.233 -1.826 1.00 0.00 C ATOM 1046 CZ PHE A 71 5.590 0.586 -3.027 1.00 0.00 C ATOM 0 H PHE A 71 8.022 -1.124 -1.170 1.00 0.00 H new ATOM 0 HA PHE A 71 8.105 -1.641 1.566 1.00 0.00 H new ATOM 0 HB2 PHE A 71 5.568 -2.586 0.541 1.00 0.00 H new ATOM 0 HB3 PHE A 71 5.916 -1.109 1.417 1.00 0.00 H new ATOM 0 HD1 PHE A 71 5.627 -2.633 -1.935 1.00 0.00 H new ATOM 0 HD2 PHE A 71 6.304 0.987 0.263 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.273 -1.307 -4.001 1.00 0.00 H new ATOM 0 HE2 PHE A 71 5.946 2.310 -1.794 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.438 1.164 -3.927 1.00 0.00 H new ATOM 1056 N ARG A 72 8.433 -4.115 1.858 1.00 0.00 N ATOM 1057 CA ARG A 72 8.506 -5.581 2.116 1.00 0.00 C ATOM 1058 C ARG A 72 7.455 -5.904 3.175 1.00 0.00 C ATOM 1059 O ARG A 72 6.937 -6.999 3.252 1.00 0.00 O ATOM 1060 CB ARG A 72 9.898 -5.946 2.636 1.00 0.00 C ATOM 1061 CG ARG A 72 10.300 -7.321 2.099 1.00 0.00 C ATOM 1062 CD ARG A 72 11.564 -7.188 1.246 1.00 0.00 C ATOM 1063 NE ARG A 72 12.557 -8.215 1.671 1.00 0.00 N ATOM 1064 CZ ARG A 72 13.566 -7.874 2.426 1.00 0.00 C ATOM 1065 NH1 ARG A 72 13.442 -6.890 3.273 1.00 0.00 N ATOM 1066 NH2 ARG A 72 14.697 -8.518 2.332 1.00 0.00 N ATOM 0 H ARG A 72 8.956 -3.536 2.515 1.00 0.00 H new ATOM 0 HA ARG A 72 8.323 -6.147 1.203 1.00 0.00 H new ATOM 0 HB2 ARG A 72 10.623 -5.195 2.322 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.900 -5.955 3.726 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.478 -8.008 2.926 1.00 0.00 H new ATOM 0 HG3 ARG A 72 9.490 -7.742 1.504 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.320 -7.316 0.191 1.00 0.00 H new ATOM 0 HD3 ARG A 72 11.987 -6.189 1.356 1.00 0.00 H new ATOM 0 HE ARG A 72 12.448 -9.184 1.372 1.00 0.00 H new ATOM 0 HH11 ARG A 72 12.557 -6.388 3.345 1.00 0.00 H new ATOM 0 HH12 ARG A 72 14.230 -6.623 3.863 1.00 0.00 H new ATOM 0 HH21 ARG A 72 14.792 -9.287 1.669 1.00 0.00 H new ATOM 0 HH22 ARG A 72 15.486 -8.252 2.922 1.00 0.00 H new ATOM 1080 N LEU A 73 7.138 -4.914 3.968 1.00 0.00 N ATOM 1081 CA LEU A 73 6.110 -5.033 5.039 1.00 0.00 C ATOM 1082 C LEU A 73 6.751 -5.200 6.408 1.00 0.00 C ATOM 1083 O LEU A 73 7.301 -6.229 6.746 1.00 0.00 O ATOM 1084 CB LEU A 73 5.119 -6.177 4.779 1.00 0.00 C ATOM 1085 CG LEU A 73 3.932 -6.089 5.770 1.00 0.00 C ATOM 1086 CD1 LEU A 73 3.678 -4.641 6.195 1.00 0.00 C ATOM 1087 CD2 LEU A 73 2.665 -6.615 5.105 1.00 0.00 C ATOM 0 H LEU A 73 7.569 -3.991 3.912 1.00 0.00 H new ATOM 0 HA LEU A 73 5.548 -4.099 5.025 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.752 -6.124 3.754 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.623 -7.137 4.888 1.00 0.00 H new ATOM 0 HG LEU A 73 4.185 -6.686 6.646 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.840 -4.608 6.891 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.569 -4.243 6.681 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.445 -4.040 5.316 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.833 -6.551 5.806 1.00 0.00 H new ATOM 0 HD22 LEU A 73 2.442 -6.016 4.222 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.813 -7.654 4.811 1.00 0.00 H new ATOM 1099 N SER A 74 6.653 -4.173 7.200 1.00 0.00 N ATOM 1100 CA SER A 74 7.210 -4.200 8.571 1.00 0.00 C ATOM 1101 C SER A 74 8.663 -4.678 8.549 1.00 0.00 C ATOM 1102 O SER A 74 9.377 -4.493 7.584 1.00 0.00 O ATOM 1103 CB SER A 74 6.379 -5.141 9.445 1.00 0.00 C ATOM 1104 OG SER A 74 6.319 -4.623 10.768 1.00 0.00 O ATOM 0 H SER A 74 6.198 -3.296 6.945 1.00 0.00 H new ATOM 0 HA SER A 74 7.176 -3.191 8.981 1.00 0.00 H new ATOM 0 HB2 SER A 74 5.374 -5.243 9.036 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.823 -6.137 9.452 1.00 0.00 H new ATOM 0 HG SER A 74 5.786 -5.223 11.330 1.00 0.00 H new ATOM 1110 N LYS A 75 9.105 -5.292 9.615 1.00 0.00 N ATOM 1111 CA LYS A 75 10.510 -5.785 9.668 1.00 0.00 C ATOM 1112 C LYS A 75 10.651 -7.021 8.780 1.00 0.00 C ATOM 1113 O LYS A 75 9.639 -7.491 8.288 1.00 0.00 O ATOM 1114 CB LYS A 75 10.868 -6.155 11.110 1.00 0.00 C ATOM 1115 CG LYS A 75 9.961 -7.293 11.586 1.00 0.00 C ATOM 1116 CD LYS A 75 10.437 -7.788 12.954 1.00 0.00 C ATOM 1117 CE LYS A 75 9.272 -7.741 13.945 1.00 0.00 C ATOM 1118 NZ LYS A 75 9.682 -8.383 15.227 1.00 0.00 N ATOM 1119 OXT LYS A 75 11.769 -7.477 8.607 1.00 0.00 O ATOM 0 H LYS A 75 8.551 -5.473 10.452 1.00 0.00 H new ATOM 0 HA LYS A 75 11.181 -5.002 9.314 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.913 -6.459 11.170 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.751 -5.287 11.759 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.930 -6.947 11.652 1.00 0.00 H new ATOM 0 HG3 LYS A 75 9.978 -8.111 10.866 1.00 0.00 H new ATOM 0 HD2 LYS A 75 10.818 -8.806 12.872 1.00 0.00 H new ATOM 0 HD3 LYS A 75 11.259 -7.167 13.312 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.974 -6.708 14.123 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.406 -8.256 13.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.890 -8.351 15.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.946 -9.373 15.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 10.496 -7.873 15.626 1.00 0.00 H new TER 1133 LYS A 75