USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 638 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 21 ASN : amide:sc= 0.573 K(o=-1.2,f=-6.1!) USER MOD Set 1.2: A 25 LYS NZ :NH3+ -134:sc= 0.793 (180deg=-0.148) USER MOD Set 1.3: A 65 ASN : amide:sc= -2.59! C(o=-1.2!,f=-6!) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0334 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0426 USER MOD Single : A 23 MET CE :methyl -175:sc= 0 (180deg=-0.0337) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.324 X(o=-0.32,f=-0.59) USER MOD Single : A 38 MET CE :methyl -122:sc= -0.435 (180deg=-1.06) USER MOD Single : A 40 ASN : amide:sc= 0.00816 X(o=0.0082,f=-0.23) USER MOD Single : A 42 SER OG : rot -96:sc= 1.43 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.928 K(o=-0.93,f=-2.8) USER MOD Single : A 53 SER OG : rot 136:sc= 1.3 USER MOD Single : A 57 SER OG : rot 180:sc= 0.00128 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0.0307! X(o=0.031!,f=-0.042) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -0.654 X(o=-0.65,f=-0.85) USER MOD Single : A 74 MET CE :methyl 162:sc= -0.141 (180deg=-0.67) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.664 USER MOD Single : A 83 THR OG1 : rot 74:sc= 1.24 USER MOD Single : A 84 MET CE :methyl 174:sc= -1.35 (180deg=-1.45) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 7 9.423 -19.359 2.641 1.00 0.00 N ATOM 2 CA ASN A 7 10.315 -18.260 2.289 1.00 0.00 C ATOM 3 C ASN A 7 9.990 -17.755 0.892 1.00 0.00 C ATOM 4 O ASN A 7 10.554 -16.765 0.426 1.00 0.00 O ATOM 5 CB ASN A 7 11.775 -18.720 2.356 1.00 0.00 C ATOM 6 CG ASN A 7 12.048 -19.905 1.450 1.00 0.00 C ATOM 7 OD1 ASN A 7 11.825 -21.049 1.833 1.00 0.00 O ATOM 8 ND2 ASN A 7 12.549 -19.647 0.261 1.00 0.00 N ATOM 0 HA ASN A 7 10.171 -17.448 3.002 1.00 0.00 H new ATOM 0 HB2 ASN A 7 12.427 -17.893 2.075 1.00 0.00 H new ATOM 0 HB3 ASN A 7 12.023 -18.987 3.383 1.00 0.00 H new ATOM 0 HD21 ASN A 7 12.766 -20.412 -0.378 1.00 0.00 H new ATOM 0 HD22 ASN A 7 12.721 -18.682 -0.022 1.00 0.00 H new ATOM 15 N GLY A 8 9.071 -18.439 0.234 1.00 0.00 N ATOM 16 CA GLY A 8 8.680 -18.073 -1.106 1.00 0.00 C ATOM 17 C GLY A 8 7.611 -17.011 -1.122 1.00 0.00 C ATOM 18 O GLY A 8 6.513 -17.233 -1.632 1.00 0.00 O ATOM 0 H GLY A 8 8.584 -19.252 0.611 1.00 0.00 H new ATOM 0 HA2 GLY A 8 9.553 -17.714 -1.651 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.318 -18.957 -1.630 1.00 0.00 H new ATOM 22 N LEU A 9 7.921 -15.866 -0.547 1.00 0.00 N ATOM 23 CA LEU A 9 7.005 -14.752 -0.536 1.00 0.00 C ATOM 24 C LEU A 9 7.028 -14.059 -1.883 1.00 0.00 C ATOM 25 O LEU A 9 8.102 -13.849 -2.453 1.00 0.00 O ATOM 26 CB LEU A 9 7.366 -13.733 0.564 1.00 0.00 C ATOM 27 CG LEU A 9 7.075 -14.143 2.015 1.00 0.00 C ATOM 28 CD1 LEU A 9 8.044 -15.211 2.493 1.00 0.00 C ATOM 29 CD2 LEU A 9 7.131 -12.925 2.923 1.00 0.00 C ATOM 0 H LEU A 9 8.809 -15.686 -0.079 1.00 0.00 H new ATOM 0 HA LEU A 9 6.008 -15.142 -0.329 1.00 0.00 H new ATOM 0 HB2 LEU A 9 8.429 -13.508 0.482 1.00 0.00 H new ATOM 0 HB3 LEU A 9 6.828 -12.808 0.359 1.00 0.00 H new ATOM 0 HG LEU A 9 6.072 -14.567 2.053 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.811 -15.479 3.524 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.954 -16.093 1.859 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.063 -14.828 2.439 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.923 -13.227 3.950 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.123 -12.477 2.870 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.387 -12.197 2.601 1.00 0.00 H new ATOM 41 N PRO A 10 5.850 -13.716 -2.427 1.00 0.00 N ATOM 42 CA PRO A 10 5.755 -12.982 -3.687 1.00 0.00 C ATOM 43 C PRO A 10 6.510 -11.668 -3.602 1.00 0.00 C ATOM 44 O PRO A 10 6.662 -11.113 -2.518 1.00 0.00 O ATOM 45 CB PRO A 10 4.256 -12.709 -3.828 1.00 0.00 C ATOM 46 CG PRO A 10 3.599 -13.768 -3.017 1.00 0.00 C ATOM 47 CD PRO A 10 4.523 -14.033 -1.867 1.00 0.00 C ATOM 0 HA PRO A 10 6.179 -13.533 -4.527 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.999 -11.715 -3.463 1.00 0.00 H new ATOM 0 HB3 PRO A 10 3.942 -12.757 -4.871 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.621 -13.441 -2.665 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.440 -14.671 -3.607 1.00 0.00 H new ATOM 0 HD2 PRO A 10 4.287 -13.406 -1.007 1.00 0.00 H new ATOM 0 HD3 PRO A 10 4.463 -15.068 -1.532 1.00 0.00 H new ATOM 55 N SER A 11 6.961 -11.160 -4.735 1.00 0.00 N ATOM 56 CA SER A 11 7.721 -9.917 -4.761 1.00 0.00 C ATOM 57 C SER A 11 6.882 -8.768 -4.203 1.00 0.00 C ATOM 58 O SER A 11 7.403 -7.828 -3.608 1.00 0.00 O ATOM 59 CB SER A 11 8.173 -9.622 -6.186 1.00 0.00 C ATOM 60 OG SER A 11 8.873 -10.740 -6.718 1.00 0.00 O ATOM 0 H SER A 11 6.816 -11.586 -5.650 1.00 0.00 H new ATOM 0 HA SER A 11 8.604 -10.022 -4.131 1.00 0.00 H new ATOM 0 HB2 SER A 11 7.309 -9.394 -6.810 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.816 -8.742 -6.197 1.00 0.00 H new ATOM 0 HG SER A 11 9.158 -10.542 -7.634 1.00 0.00 H new ATOM 66 N GLU A 12 5.578 -8.890 -4.373 1.00 0.00 N ATOM 67 CA GLU A 12 4.616 -7.928 -3.868 1.00 0.00 C ATOM 68 C GLU A 12 4.664 -7.888 -2.325 1.00 0.00 C ATOM 69 O GLU A 12 4.545 -6.833 -1.706 1.00 0.00 O ATOM 70 CB GLU A 12 3.230 -8.362 -4.343 1.00 0.00 C ATOM 71 CG GLU A 12 2.128 -7.367 -4.102 1.00 0.00 C ATOM 72 CD GLU A 12 0.785 -7.891 -4.569 1.00 0.00 C ATOM 73 OE1 GLU A 12 0.474 -7.760 -5.775 1.00 0.00 O ATOM 74 OE2 GLU A 12 0.044 -8.465 -3.744 1.00 0.00 O ATOM 0 H GLU A 12 5.152 -9.671 -4.872 1.00 0.00 H new ATOM 0 HA GLU A 12 4.847 -6.929 -4.237 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.280 -8.573 -5.411 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.969 -9.296 -3.845 1.00 0.00 H new ATOM 0 HG2 GLU A 12 2.077 -7.132 -3.039 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.357 -6.438 -4.623 1.00 0.00 H new ATOM 81 N THR A 13 4.846 -9.057 -1.736 1.00 0.00 N ATOM 82 CA THR A 13 4.905 -9.213 -0.287 1.00 0.00 C ATOM 83 C THR A 13 6.354 -9.139 0.229 1.00 0.00 C ATOM 84 O THR A 13 6.595 -9.087 1.431 1.00 0.00 O ATOM 85 CB THR A 13 4.300 -10.578 0.109 1.00 0.00 C ATOM 86 OG1 THR A 13 3.101 -10.805 -0.650 1.00 0.00 O ATOM 87 CG2 THR A 13 3.968 -10.628 1.596 1.00 0.00 C ATOM 0 H THR A 13 4.958 -9.931 -2.249 1.00 0.00 H new ATOM 0 HA THR A 13 4.336 -8.399 0.162 1.00 0.00 H new ATOM 0 HB THR A 13 5.038 -11.352 -0.104 1.00 0.00 H new ATOM 0 HG1 THR A 13 2.716 -11.671 -0.402 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.544 -11.602 1.842 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.877 -10.471 2.177 1.00 0.00 H new ATOM 0 HG23 THR A 13 3.245 -9.847 1.834 1.00 0.00 H new ATOM 95 N TYR A 14 7.302 -9.109 -0.686 1.00 0.00 N ATOM 96 CA TYR A 14 8.704 -9.141 -0.330 1.00 0.00 C ATOM 97 C TYR A 14 9.291 -7.737 -0.151 1.00 0.00 C ATOM 98 O TYR A 14 10.226 -7.544 0.626 1.00 0.00 O ATOM 99 CB TYR A 14 9.483 -9.912 -1.398 1.00 0.00 C ATOM 100 CG TYR A 14 10.966 -9.941 -1.168 1.00 0.00 C ATOM 101 CD1 TYR A 14 11.533 -10.848 -0.288 1.00 0.00 C ATOM 102 CD2 TYR A 14 11.799 -9.053 -1.825 1.00 0.00 C ATOM 103 CE1 TYR A 14 12.889 -10.867 -0.069 1.00 0.00 C ATOM 104 CE2 TYR A 14 13.152 -9.063 -1.618 1.00 0.00 C ATOM 105 CZ TYR A 14 13.700 -9.973 -0.734 1.00 0.00 C ATOM 106 OH TYR A 14 15.057 -9.990 -0.516 1.00 0.00 O ATOM 0 H TYR A 14 7.123 -9.062 -1.689 1.00 0.00 H new ATOM 0 HA TYR A 14 8.793 -9.646 0.632 1.00 0.00 H new ATOM 0 HB2 TYR A 14 9.111 -10.936 -1.436 1.00 0.00 H new ATOM 0 HB3 TYR A 14 9.285 -9.464 -2.372 1.00 0.00 H new ATOM 0 HD1 TYR A 14 10.900 -11.550 0.234 1.00 0.00 H new ATOM 0 HD2 TYR A 14 11.374 -8.338 -2.514 1.00 0.00 H new ATOM 0 HE1 TYR A 14 13.317 -11.579 0.621 1.00 0.00 H new ATOM 0 HE2 TYR A 14 13.787 -8.364 -2.142 1.00 0.00 H new ATOM 0 HH TYR A 14 15.485 -9.298 -1.062 1.00 0.00 H new ATOM 116 N ILE A 15 8.741 -6.766 -0.847 1.00 0.00 N ATOM 117 CA ILE A 15 9.275 -5.414 -0.790 1.00 0.00 C ATOM 118 C ILE A 15 8.591 -4.592 0.290 1.00 0.00 C ATOM 119 O ILE A 15 7.542 -4.979 0.815 1.00 0.00 O ATOM 120 CB ILE A 15 9.142 -4.688 -2.138 1.00 0.00 C ATOM 121 CG1 ILE A 15 7.704 -4.766 -2.632 1.00 0.00 C ATOM 122 CG2 ILE A 15 10.100 -5.287 -3.162 1.00 0.00 C ATOM 123 CD1 ILE A 15 7.395 -3.811 -3.758 1.00 0.00 C ATOM 0 H ILE A 15 7.931 -6.881 -1.456 1.00 0.00 H new ATOM 0 HA ILE A 15 10.333 -5.512 -0.549 1.00 0.00 H new ATOM 0 HB ILE A 15 9.405 -3.639 -2.002 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.498 -5.784 -2.964 1.00 0.00 H new ATOM 0 HG13 ILE A 15 7.032 -4.561 -1.799 1.00 0.00 H new ATOM 0 HG21 ILE A 15 9.993 -4.762 -4.111 1.00 0.00 H new ATOM 0 HG22 ILE A 15 11.125 -5.186 -2.804 1.00 0.00 H new ATOM 0 HG23 ILE A 15 9.868 -6.343 -3.304 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.353 -3.925 -4.056 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.567 -2.788 -3.425 1.00 0.00 H new ATOM 0 HD13 ILE A 15 8.041 -4.030 -4.608 1.00 0.00 H new ATOM 135 N THR A 16 9.178 -3.457 0.608 1.00 0.00 N ATOM 136 CA THR A 16 8.653 -2.595 1.637 1.00 0.00 C ATOM 137 C THR A 16 7.983 -1.371 1.044 1.00 0.00 C ATOM 138 O THR A 16 8.253 -0.992 -0.097 1.00 0.00 O ATOM 139 CB THR A 16 9.768 -2.145 2.597 1.00 0.00 C ATOM 140 OG1 THR A 16 10.817 -1.500 1.858 1.00 0.00 O ATOM 141 CG2 THR A 16 10.335 -3.333 3.350 1.00 0.00 C ATOM 0 H THR A 16 10.027 -3.111 0.161 1.00 0.00 H new ATOM 0 HA THR A 16 7.910 -3.171 2.189 1.00 0.00 H new ATOM 0 HB THR A 16 9.343 -1.444 3.315 1.00 0.00 H new ATOM 0 HG1 THR A 16 11.523 -1.214 2.474 1.00 0.00 H new ATOM 0 HG21 THR A 16 11.122 -2.995 4.024 1.00 0.00 H new ATOM 0 HG22 THR A 16 9.543 -3.809 3.928 1.00 0.00 H new ATOM 0 HG23 THR A 16 10.748 -4.050 2.641 1.00 0.00 H new ATOM 149 N CYS A 17 7.115 -0.749 1.823 1.00 0.00 N ATOM 150 CA CYS A 17 6.430 0.458 1.392 1.00 0.00 C ATOM 151 C CYS A 17 7.419 1.613 1.264 1.00 0.00 C ATOM 152 O CYS A 17 7.197 2.557 0.511 1.00 0.00 O ATOM 153 CB CYS A 17 5.323 0.807 2.375 1.00 0.00 C ATOM 154 SG CYS A 17 5.848 0.725 4.110 1.00 0.00 S ATOM 0 H CYS A 17 6.867 -1.062 2.762 1.00 0.00 H new ATOM 0 HA CYS A 17 5.984 0.281 0.413 1.00 0.00 H new ATOM 0 HB2 CYS A 17 4.960 1.812 2.160 1.00 0.00 H new ATOM 0 HB3 CYS A 17 4.485 0.126 2.224 1.00 0.00 H new ATOM 159 N ALA A 18 8.515 1.527 2.015 1.00 0.00 N ATOM 160 CA ALA A 18 9.576 2.515 1.939 1.00 0.00 C ATOM 161 C ALA A 18 10.223 2.480 0.561 1.00 0.00 C ATOM 162 O ALA A 18 10.343 3.510 -0.104 1.00 0.00 O ATOM 163 CB ALA A 18 10.617 2.262 3.022 1.00 0.00 C ATOM 0 H ALA A 18 8.687 0.777 2.685 1.00 0.00 H new ATOM 0 HA ALA A 18 9.147 3.504 2.100 1.00 0.00 H new ATOM 0 HB1 ALA A 18 11.405 3.011 2.951 1.00 0.00 H new ATOM 0 HB2 ALA A 18 10.145 2.324 4.002 1.00 0.00 H new ATOM 0 HB3 ALA A 18 11.047 1.269 2.889 1.00 0.00 H new ATOM 169 N GLU A 19 10.608 1.281 0.126 1.00 0.00 N ATOM 170 CA GLU A 19 11.231 1.096 -1.183 1.00 0.00 C ATOM 171 C GLU A 19 10.222 1.371 -2.304 1.00 0.00 C ATOM 172 O GLU A 19 10.596 1.747 -3.416 1.00 0.00 O ATOM 173 CB GLU A 19 11.801 -0.324 -1.298 1.00 0.00 C ATOM 174 CG GLU A 19 12.559 -0.587 -2.590 1.00 0.00 C ATOM 175 CD GLU A 19 13.234 -1.938 -2.601 1.00 0.00 C ATOM 176 OE1 GLU A 19 12.611 -2.921 -3.040 1.00 0.00 O ATOM 177 OE2 GLU A 19 14.407 -2.026 -2.175 1.00 0.00 O ATOM 0 H GLU A 19 10.499 0.421 0.663 1.00 0.00 H new ATOM 0 HA GLU A 19 12.050 1.808 -1.286 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.468 -0.506 -0.455 1.00 0.00 H new ATOM 0 HB3 GLU A 19 10.983 -1.040 -1.217 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.869 -0.522 -3.431 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.309 0.191 -2.732 1.00 0.00 H new ATOM 184 N ALA A 20 8.941 1.197 -1.993 1.00 0.00 N ATOM 185 CA ALA A 20 7.875 1.457 -2.953 1.00 0.00 C ATOM 186 C ALA A 20 7.855 2.929 -3.362 1.00 0.00 C ATOM 187 O ALA A 20 7.434 3.267 -4.463 1.00 0.00 O ATOM 188 CB ALA A 20 6.529 1.043 -2.379 1.00 0.00 C ATOM 0 H ALA A 20 8.616 0.876 -1.081 1.00 0.00 H new ATOM 0 HA ALA A 20 8.069 0.861 -3.845 1.00 0.00 H new ATOM 0 HB1 ALA A 20 5.745 1.244 -3.109 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.544 -0.022 -2.147 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.332 1.610 -1.469 1.00 0.00 H new ATOM 194 N ASN A 21 8.342 3.800 -2.472 1.00 0.00 N ATOM 195 CA ASN A 21 8.404 5.235 -2.758 1.00 0.00 C ATOM 196 C ASN A 21 9.458 5.465 -3.822 1.00 0.00 C ATOM 197 O ASN A 21 9.253 6.219 -4.771 1.00 0.00 O ATOM 198 CB ASN A 21 8.752 6.026 -1.477 1.00 0.00 C ATOM 199 CG ASN A 21 8.675 7.552 -1.642 1.00 0.00 C ATOM 200 OD1 ASN A 21 8.902 8.095 -2.720 1.00 0.00 O ATOM 201 ND2 ASN A 21 8.363 8.248 -0.562 1.00 0.00 N ATOM 0 H ASN A 21 8.697 3.537 -1.553 1.00 0.00 H new ATOM 0 HA ASN A 21 7.434 5.584 -3.113 1.00 0.00 H new ATOM 0 HB2 ASN A 21 8.073 5.723 -0.680 1.00 0.00 H new ATOM 0 HB3 ASN A 21 9.759 5.756 -1.158 1.00 0.00 H new ATOM 0 HD21 ASN A 21 8.305 9.265 -0.610 1.00 0.00 H new ATOM 0 HD22 ASN A 21 8.180 7.768 0.319 1.00 0.00 H new ATOM 208 N GLU A 22 10.584 4.784 -3.656 1.00 0.00 N ATOM 209 CA GLU A 22 11.668 4.847 -4.614 1.00 0.00 C ATOM 210 C GLU A 22 11.158 4.459 -6.005 1.00 0.00 C ATOM 211 O GLU A 22 11.413 5.161 -6.990 1.00 0.00 O ATOM 212 CB GLU A 22 12.807 3.923 -4.188 1.00 0.00 C ATOM 213 CG GLU A 22 14.060 4.072 -5.022 1.00 0.00 C ATOM 214 CD GLU A 22 14.719 5.428 -4.849 1.00 0.00 C ATOM 215 OE1 GLU A 22 14.257 6.410 -5.468 1.00 0.00 O ATOM 216 OE2 GLU A 22 15.701 5.517 -4.090 1.00 0.00 O ATOM 0 H GLU A 22 10.767 4.177 -2.857 1.00 0.00 H new ATOM 0 HA GLU A 22 12.048 5.868 -4.651 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.051 4.120 -3.144 1.00 0.00 H new ATOM 0 HB3 GLU A 22 12.465 2.890 -4.245 1.00 0.00 H new ATOM 0 HG2 GLU A 22 14.769 3.290 -4.749 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.812 3.924 -6.073 1.00 0.00 H new ATOM 223 N MET A 23 10.436 3.334 -6.080 1.00 0.00 N ATOM 224 CA MET A 23 9.827 2.910 -7.338 1.00 0.00 C ATOM 225 C MET A 23 8.860 3.965 -7.846 1.00 0.00 C ATOM 226 O MET A 23 8.919 4.345 -8.994 1.00 0.00 O ATOM 227 CB MET A 23 9.084 1.573 -7.192 1.00 0.00 C ATOM 228 CG MET A 23 8.305 1.187 -8.455 1.00 0.00 C ATOM 229 SD MET A 23 7.228 -0.244 -8.235 1.00 0.00 S ATOM 230 CE MET A 23 8.425 -1.556 -8.061 1.00 0.00 C ATOM 0 H MET A 23 10.263 2.710 -5.292 1.00 0.00 H new ATOM 0 HA MET A 23 10.638 2.778 -8.055 1.00 0.00 H new ATOM 0 HB2 MET A 23 9.802 0.787 -6.959 1.00 0.00 H new ATOM 0 HB3 MET A 23 8.395 1.635 -6.350 1.00 0.00 H new ATOM 0 HG2 MET A 23 7.703 2.038 -8.774 1.00 0.00 H new ATOM 0 HG3 MET A 23 9.012 0.978 -9.258 1.00 0.00 H new ATOM 0 HE1 MET A 23 7.909 -2.515 -8.007 1.00 0.00 H new ATOM 0 HE2 MET A 23 9.096 -1.553 -8.920 1.00 0.00 H new ATOM 0 HE3 MET A 23 9.003 -1.403 -7.149 1.00 0.00 H new ATOM 240 N ALA A 24 7.971 4.422 -6.967 1.00 0.00 N ATOM 241 CA ALA A 24 6.958 5.437 -7.306 1.00 0.00 C ATOM 242 C ALA A 24 7.548 6.643 -8.050 1.00 0.00 C ATOM 243 O ALA A 24 6.891 7.236 -8.897 1.00 0.00 O ATOM 244 CB ALA A 24 6.227 5.900 -6.053 1.00 0.00 C ATOM 0 H ALA A 24 7.927 4.104 -5.999 1.00 0.00 H new ATOM 0 HA ALA A 24 6.252 4.958 -7.984 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.483 6.649 -6.322 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.732 5.049 -5.585 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.942 6.334 -5.354 1.00 0.00 H new ATOM 250 N LYS A 25 8.785 6.987 -7.739 1.00 0.00 N ATOM 251 CA LYS A 25 9.450 8.121 -8.378 1.00 0.00 C ATOM 252 C LYS A 25 9.705 7.875 -9.878 1.00 0.00 C ATOM 253 O LYS A 25 9.895 8.816 -10.644 1.00 0.00 O ATOM 254 CB LYS A 25 10.751 8.448 -7.653 1.00 0.00 C ATOM 255 CG LYS A 25 10.559 8.718 -6.170 1.00 0.00 C ATOM 256 CD LYS A 25 11.867 9.068 -5.491 1.00 0.00 C ATOM 257 CE LYS A 25 11.697 9.167 -3.983 1.00 0.00 C ATOM 258 NZ LYS A 25 10.663 10.163 -3.593 1.00 0.00 N ATOM 0 H LYS A 25 9.355 6.500 -7.047 1.00 0.00 H new ATOM 0 HA LYS A 25 8.780 8.978 -8.306 1.00 0.00 H new ATOM 0 HB2 LYS A 25 11.447 7.618 -7.777 1.00 0.00 H new ATOM 0 HB3 LYS A 25 11.209 9.321 -8.118 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.850 9.535 -6.038 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.125 7.839 -5.693 1.00 0.00 H new ATOM 0 HD2 LYS A 25 12.615 8.311 -5.726 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.239 10.016 -5.880 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.424 8.189 -3.586 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.650 9.440 -3.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.028 10.759 -2.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.430 10.760 -4.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.807 9.667 -3.271 1.00 0.00 H new ATOM 272 N THR A 26 9.701 6.614 -10.286 1.00 0.00 N ATOM 273 CA THR A 26 9.896 6.271 -11.688 1.00 0.00 C ATOM 274 C THR A 26 8.678 5.517 -12.243 1.00 0.00 C ATOM 275 O THR A 26 8.287 5.703 -13.392 1.00 0.00 O ATOM 276 CB THR A 26 11.206 5.448 -11.919 1.00 0.00 C ATOM 277 OG1 THR A 26 11.355 5.127 -13.309 1.00 0.00 O ATOM 278 CG2 THR A 26 11.220 4.164 -11.097 1.00 0.00 C ATOM 0 H THR A 26 9.565 5.813 -9.669 1.00 0.00 H new ATOM 0 HA THR A 26 10.003 7.209 -12.233 1.00 0.00 H new ATOM 0 HB THR A 26 12.040 6.070 -11.594 1.00 0.00 H new ATOM 0 HG1 THR A 26 12.179 4.613 -13.440 1.00 0.00 H new ATOM 0 HG21 THR A 26 12.146 3.621 -11.286 1.00 0.00 H new ATOM 0 HG22 THR A 26 11.153 4.410 -10.037 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.371 3.542 -11.380 1.00 0.00 H new ATOM 286 N ASP A 27 8.071 4.695 -11.405 1.00 0.00 N ATOM 287 CA ASP A 27 6.897 3.923 -11.775 1.00 0.00 C ATOM 288 C ASP A 27 5.794 4.119 -10.751 1.00 0.00 C ATOM 289 O ASP A 27 5.425 3.186 -10.034 1.00 0.00 O ATOM 290 CB ASP A 27 7.229 2.429 -11.893 1.00 0.00 C ATOM 291 CG ASP A 27 7.991 2.081 -13.153 1.00 0.00 C ATOM 292 OD1 ASP A 27 7.382 2.105 -14.247 1.00 0.00 O ATOM 293 OD2 ASP A 27 9.195 1.768 -13.059 1.00 0.00 O ATOM 0 H ASP A 27 8.380 4.543 -10.445 1.00 0.00 H new ATOM 0 HA ASP A 27 6.558 4.280 -12.747 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.816 2.125 -11.026 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.303 1.855 -11.867 1.00 0.00 H new ATOM 298 N SER A 28 5.285 5.336 -10.668 1.00 0.00 N ATOM 299 CA SER A 28 4.219 5.664 -9.732 1.00 0.00 C ATOM 300 C SER A 28 2.973 4.835 -10.027 1.00 0.00 C ATOM 301 O SER A 28 2.299 4.357 -9.111 1.00 0.00 O ATOM 302 CB SER A 28 3.895 7.162 -9.811 1.00 0.00 C ATOM 303 OG SER A 28 2.930 7.537 -8.842 1.00 0.00 O ATOM 0 H SER A 28 5.595 6.120 -11.242 1.00 0.00 H new ATOM 0 HA SER A 28 4.555 5.428 -8.722 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.806 7.741 -9.661 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.524 7.403 -10.807 1.00 0.00 H new ATOM 0 HG SER A 28 2.747 8.497 -8.917 1.00 0.00 H new ATOM 309 N ALA A 29 2.702 4.636 -11.306 1.00 0.00 N ATOM 310 CA ALA A 29 1.536 3.886 -11.734 1.00 0.00 C ATOM 311 C ALA A 29 1.594 2.443 -11.245 1.00 0.00 C ATOM 312 O ALA A 29 0.572 1.860 -10.903 1.00 0.00 O ATOM 313 CB ALA A 29 1.401 3.935 -13.241 1.00 0.00 C ATOM 0 H ALA A 29 3.279 4.987 -12.070 1.00 0.00 H new ATOM 0 HA ALA A 29 0.656 4.351 -11.290 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.522 3.368 -13.546 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.294 4.971 -13.563 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.290 3.502 -13.700 1.00 0.00 H new ATOM 319 N GLN A 30 2.797 1.879 -11.179 1.00 0.00 N ATOM 320 CA GLN A 30 2.958 0.506 -10.742 1.00 0.00 C ATOM 321 C GLN A 30 2.640 0.365 -9.268 1.00 0.00 C ATOM 322 O GLN A 30 2.015 -0.600 -8.854 1.00 0.00 O ATOM 323 CB GLN A 30 4.368 0.001 -11.036 1.00 0.00 C ATOM 324 CG GLN A 30 4.635 -0.209 -12.512 1.00 0.00 C ATOM 325 CD GLN A 30 3.737 -1.277 -13.109 1.00 0.00 C ATOM 326 OE1 GLN A 30 2.638 -0.989 -13.582 1.00 0.00 O ATOM 327 NE2 GLN A 30 4.193 -2.512 -13.085 1.00 0.00 N ATOM 0 H GLN A 30 3.667 2.353 -11.422 1.00 0.00 H new ATOM 0 HA GLN A 30 2.252 -0.106 -11.303 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.091 0.714 -10.641 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.527 -0.939 -10.508 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.484 0.730 -13.044 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.678 -0.492 -12.655 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.110 -2.709 -12.684 1.00 0.00 H new ATOM 0 HE22 GLN A 30 3.629 -3.271 -13.468 1.00 0.00 H new ATOM 336 N VAL A 31 3.026 1.355 -8.487 1.00 0.00 N ATOM 337 CA VAL A 31 2.794 1.315 -7.058 1.00 0.00 C ATOM 338 C VAL A 31 1.329 1.595 -6.770 1.00 0.00 C ATOM 339 O VAL A 31 0.728 0.986 -5.885 1.00 0.00 O ATOM 340 CB VAL A 31 3.672 2.340 -6.307 1.00 0.00 C ATOM 341 CG1 VAL A 31 3.509 2.190 -4.800 1.00 0.00 C ATOM 342 CG2 VAL A 31 5.129 2.185 -6.702 1.00 0.00 C ATOM 0 H VAL A 31 3.501 2.195 -8.818 1.00 0.00 H new ATOM 0 HA VAL A 31 3.062 0.319 -6.705 1.00 0.00 H new ATOM 0 HB VAL A 31 3.343 3.340 -6.588 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.137 2.922 -4.292 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.466 2.355 -4.529 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.807 1.185 -4.500 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.732 2.916 -6.163 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.469 1.180 -6.453 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.235 2.348 -7.775 1.00 0.00 H new ATOM 352 N ALA A 32 0.748 2.484 -7.567 1.00 0.00 N ATOM 353 CA ALA A 32 -0.640 2.875 -7.403 1.00 0.00 C ATOM 354 C ALA A 32 -1.573 1.742 -7.799 1.00 0.00 C ATOM 355 O ALA A 32 -2.650 1.581 -7.224 1.00 0.00 O ATOM 356 CB ALA A 32 -0.941 4.124 -8.219 1.00 0.00 C ATOM 0 H ALA A 32 1.225 2.949 -8.339 1.00 0.00 H new ATOM 0 HA ALA A 32 -0.808 3.100 -6.350 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.986 4.403 -8.085 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -0.301 4.940 -7.884 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -0.752 3.924 -9.274 1.00 0.00 H new ATOM 362 N GLU A 33 -1.171 0.964 -8.793 1.00 0.00 N ATOM 363 CA GLU A 33 -1.972 -0.162 -9.232 1.00 0.00 C ATOM 364 C GLU A 33 -1.846 -1.354 -8.288 1.00 0.00 C ATOM 365 O GLU A 33 -2.822 -2.049 -8.049 1.00 0.00 O ATOM 366 CB GLU A 33 -1.633 -0.572 -10.666 1.00 0.00 C ATOM 367 CG GLU A 33 -2.112 0.415 -11.718 1.00 0.00 C ATOM 368 CD GLU A 33 -1.963 -0.119 -13.126 1.00 0.00 C ATOM 369 OE1 GLU A 33 -2.681 -1.079 -13.475 1.00 0.00 O ATOM 370 OE2 GLU A 33 -1.137 0.419 -13.894 1.00 0.00 O ATOM 0 H GLU A 33 -0.299 1.093 -9.307 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.010 0.169 -9.213 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.553 -0.687 -10.755 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.075 -1.547 -10.869 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.159 0.657 -11.534 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.548 1.343 -11.624 1.00 0.00 H new ATOM 377 N ILE A 34 -0.657 -1.572 -7.726 1.00 0.00 N ATOM 378 CA ILE A 34 -0.449 -2.713 -6.833 1.00 0.00 C ATOM 379 C ILE A 34 -1.261 -2.542 -5.563 1.00 0.00 C ATOM 380 O ILE A 34 -1.988 -3.455 -5.149 1.00 0.00 O ATOM 381 CB ILE A 34 1.049 -2.921 -6.477 1.00 0.00 C ATOM 382 CG1 ILE A 34 1.834 -3.372 -7.717 1.00 0.00 C ATOM 383 CG2 ILE A 34 1.200 -3.943 -5.354 1.00 0.00 C ATOM 384 CD1 ILE A 34 3.321 -3.539 -7.475 1.00 0.00 C ATOM 0 H ILE A 34 0.165 -0.985 -7.869 1.00 0.00 H new ATOM 0 HA ILE A 34 -0.785 -3.602 -7.368 1.00 0.00 H new ATOM 0 HB ILE A 34 1.455 -1.970 -6.132 1.00 0.00 H new ATOM 0 HG12 ILE A 34 1.425 -4.319 -8.070 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.685 -2.644 -8.514 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.257 -4.074 -5.120 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.673 -3.590 -4.467 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.778 -4.897 -5.671 1.00 0.00 H new ATOM 0 HD11 ILE A 34 3.806 -3.859 -8.397 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.746 -2.589 -7.152 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.482 -4.290 -6.701 1.00 0.00 H new ATOM 396 N VAL A 35 -1.156 -1.364 -4.958 1.00 0.00 N ATOM 397 CA VAL A 35 -1.914 -1.062 -3.757 1.00 0.00 C ATOM 398 C VAL A 35 -3.420 -1.101 -4.026 1.00 0.00 C ATOM 399 O VAL A 35 -4.212 -1.323 -3.121 1.00 0.00 O ATOM 400 CB VAL A 35 -1.522 0.306 -3.144 1.00 0.00 C ATOM 401 CG1 VAL A 35 -0.058 0.315 -2.730 1.00 0.00 C ATOM 402 CG2 VAL A 35 -1.821 1.451 -4.101 1.00 0.00 C ATOM 0 H VAL A 35 -0.554 -0.607 -5.281 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.665 -1.837 -3.032 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.130 0.454 -2.252 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.193 1.286 -2.303 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.115 -0.464 -1.988 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.568 0.130 -3.603 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.534 2.396 -3.639 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.256 1.311 -5.023 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.887 1.467 -4.327 1.00 0.00 H new ATOM 412 N ALA A 36 -3.803 -0.896 -5.282 1.00 0.00 N ATOM 413 CA ALA A 36 -5.199 -0.928 -5.664 1.00 0.00 C ATOM 414 C ALA A 36 -5.673 -2.360 -5.866 1.00 0.00 C ATOM 415 O ALA A 36 -6.713 -2.751 -5.344 1.00 0.00 O ATOM 416 CB ALA A 36 -5.427 -0.109 -6.923 1.00 0.00 C ATOM 0 H ALA A 36 -3.160 -0.706 -6.050 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.782 -0.488 -4.855 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.482 -0.145 -7.194 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.134 0.925 -6.742 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.829 -0.519 -7.737 1.00 0.00 H new ATOM 422 N VAL A 37 -4.908 -3.140 -6.636 1.00 0.00 N ATOM 423 CA VAL A 37 -5.253 -4.535 -6.912 1.00 0.00 C ATOM 424 C VAL A 37 -5.516 -5.322 -5.625 1.00 0.00 C ATOM 425 O VAL A 37 -6.643 -5.739 -5.372 1.00 0.00 O ATOM 426 CB VAL A 37 -4.153 -5.250 -7.750 1.00 0.00 C ATOM 427 CG1 VAL A 37 -4.448 -6.738 -7.880 1.00 0.00 C ATOM 428 CG2 VAL A 37 -4.044 -4.622 -9.131 1.00 0.00 C ATOM 0 H VAL A 37 -4.044 -2.827 -7.079 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.172 -4.511 -7.497 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.203 -5.130 -7.229 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -3.665 -7.214 -8.470 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.481 -7.190 -6.889 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.409 -6.876 -8.375 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.270 -5.134 -9.703 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.999 -4.713 -9.649 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.784 -3.568 -9.032 1.00 0.00 H new ATOM 438 N MET A 38 -4.491 -5.527 -4.813 1.00 0.00 N ATOM 439 CA MET A 38 -4.663 -6.254 -3.560 1.00 0.00 C ATOM 440 C MET A 38 -5.489 -5.440 -2.568 1.00 0.00 C ATOM 441 O MET A 38 -6.369 -5.975 -1.905 1.00 0.00 O ATOM 442 CB MET A 38 -3.288 -6.602 -2.962 1.00 0.00 C ATOM 443 CG MET A 38 -3.283 -7.819 -2.027 1.00 0.00 C ATOM 444 SD MET A 38 -4.159 -7.549 -0.466 1.00 0.00 S ATOM 445 CE MET A 38 -3.136 -6.297 0.301 1.00 0.00 C ATOM 0 H MET A 38 -3.540 -5.205 -4.994 1.00 0.00 H new ATOM 0 HA MET A 38 -5.202 -7.179 -3.766 1.00 0.00 H new ATOM 0 HB2 MET A 38 -2.588 -6.785 -3.778 1.00 0.00 H new ATOM 0 HB3 MET A 38 -2.917 -5.737 -2.412 1.00 0.00 H new ATOM 0 HG2 MET A 38 -3.736 -8.664 -2.545 1.00 0.00 H new ATOM 0 HG3 MET A 38 -2.251 -8.094 -1.810 1.00 0.00 H new ATOM 0 HE1 MET A 38 -2.780 -6.659 1.266 1.00 0.00 H new ATOM 0 HE2 MET A 38 -2.283 -6.080 -0.342 1.00 0.00 H new ATOM 0 HE3 MET A 38 -3.721 -5.389 0.448 1.00 0.00 H new ATOM 455 N GLY A 39 -5.214 -4.142 -2.496 1.00 0.00 N ATOM 456 CA GLY A 39 -5.895 -3.270 -1.546 1.00 0.00 C ATOM 457 C GLY A 39 -7.407 -3.303 -1.665 1.00 0.00 C ATOM 458 O GLY A 39 -8.101 -3.510 -0.672 1.00 0.00 O ATOM 0 H GLY A 39 -4.525 -3.671 -3.083 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.612 -3.559 -0.534 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.550 -2.247 -1.693 1.00 0.00 H new ATOM 462 N ASN A 40 -7.912 -3.101 -2.876 1.00 0.00 N ATOM 463 CA ASN A 40 -9.359 -3.091 -3.110 1.00 0.00 C ATOM 464 C ASN A 40 -9.993 -4.427 -2.704 1.00 0.00 C ATOM 465 O ASN A 40 -11.090 -4.457 -2.150 1.00 0.00 O ATOM 466 CB ASN A 40 -9.687 -2.736 -4.578 1.00 0.00 C ATOM 467 CG ASN A 40 -10.023 -3.939 -5.445 1.00 0.00 C ATOM 468 OD1 ASN A 40 -11.181 -4.331 -5.562 1.00 0.00 O ATOM 469 ND2 ASN A 40 -9.018 -4.521 -6.051 1.00 0.00 N ATOM 0 H ASN A 40 -7.348 -2.942 -3.711 1.00 0.00 H new ATOM 0 HA ASN A 40 -9.792 -2.314 -2.480 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -10.528 -2.043 -4.594 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -8.835 -2.214 -5.014 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -9.182 -5.332 -6.647 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -8.071 -4.163 -5.927 1.00 0.00 H new ATOM 476 N ALA A 41 -9.295 -5.524 -2.977 1.00 0.00 N ATOM 477 CA ALA A 41 -9.769 -6.844 -2.586 1.00 0.00 C ATOM 478 C ALA A 41 -9.689 -7.018 -1.073 1.00 0.00 C ATOM 479 O ALA A 41 -10.572 -7.608 -0.456 1.00 0.00 O ATOM 480 CB ALA A 41 -8.963 -7.925 -3.293 1.00 0.00 C ATOM 0 H ALA A 41 -8.400 -5.524 -3.467 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.813 -6.939 -2.884 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.328 -8.907 -2.991 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.072 -7.813 -4.372 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.911 -7.830 -3.023 1.00 0.00 H new ATOM 486 N SER A 42 -8.624 -6.490 -0.487 1.00 0.00 N ATOM 487 CA SER A 42 -8.403 -6.571 0.946 1.00 0.00 C ATOM 488 C SER A 42 -9.490 -5.802 1.706 1.00 0.00 C ATOM 489 O SER A 42 -10.159 -6.361 2.577 1.00 0.00 O ATOM 490 CB SER A 42 -7.011 -6.032 1.302 1.00 0.00 C ATOM 491 OG SER A 42 -6.656 -6.349 2.639 1.00 0.00 O ATOM 0 H SER A 42 -7.890 -5.994 -0.993 1.00 0.00 H new ATOM 0 HA SER A 42 -8.456 -7.618 1.245 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.272 -6.451 0.619 1.00 0.00 H new ATOM 0 HB3 SER A 42 -6.993 -4.951 1.166 1.00 0.00 H new ATOM 0 HG SER A 42 -6.871 -5.592 3.223 1.00 0.00 H new ATOM 497 N VAL A 43 -9.667 -4.521 1.375 1.00 0.00 N ATOM 498 CA VAL A 43 -10.687 -3.701 2.025 1.00 0.00 C ATOM 499 C VAL A 43 -12.086 -4.301 1.856 1.00 0.00 C ATOM 500 O VAL A 43 -12.897 -4.286 2.786 1.00 0.00 O ATOM 501 CB VAL A 43 -10.676 -2.229 1.518 1.00 0.00 C ATOM 502 CG1 VAL A 43 -9.337 -1.569 1.800 1.00 0.00 C ATOM 503 CG2 VAL A 43 -11.008 -2.145 0.035 1.00 0.00 C ATOM 0 H VAL A 43 -9.120 -4.033 0.665 1.00 0.00 H new ATOM 0 HA VAL A 43 -10.436 -3.692 3.086 1.00 0.00 H new ATOM 0 HB VAL A 43 -11.450 -1.691 2.065 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -9.354 -0.542 1.437 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -9.149 -1.571 2.874 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.546 -2.120 1.292 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -10.991 -1.103 -0.283 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -10.271 -2.711 -0.535 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -12.000 -2.561 -0.140 1.00 0.00 H new ATOM 513 N ALA A 44 -12.367 -4.848 0.679 1.00 0.00 N ATOM 514 CA ALA A 44 -13.657 -5.455 0.419 1.00 0.00 C ATOM 515 C ALA A 44 -13.803 -6.798 1.138 1.00 0.00 C ATOM 516 O ALA A 44 -14.899 -7.348 1.224 1.00 0.00 O ATOM 517 CB ALA A 44 -13.862 -5.627 -1.080 1.00 0.00 C ATOM 0 H ALA A 44 -11.717 -4.881 -0.106 1.00 0.00 H new ATOM 0 HA ALA A 44 -14.426 -4.789 0.810 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -14.834 -6.084 -1.264 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -13.821 -4.653 -1.567 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -13.078 -6.268 -1.483 1.00 0.00 H new ATOM 523 N SER A 45 -12.704 -7.311 1.660 1.00 0.00 N ATOM 524 CA SER A 45 -12.717 -8.595 2.332 1.00 0.00 C ATOM 525 C SER A 45 -13.250 -8.490 3.758 1.00 0.00 C ATOM 526 O SER A 45 -13.865 -9.425 4.261 1.00 0.00 O ATOM 527 CB SER A 45 -11.311 -9.215 2.335 1.00 0.00 C ATOM 528 OG SER A 45 -11.308 -10.495 2.956 1.00 0.00 O ATOM 0 H SER A 45 -11.791 -6.857 1.631 1.00 0.00 H new ATOM 0 HA SER A 45 -13.393 -9.244 1.776 1.00 0.00 H new ATOM 0 HB2 SER A 45 -10.950 -9.305 1.311 1.00 0.00 H new ATOM 0 HB3 SER A 45 -10.621 -8.553 2.859 1.00 0.00 H new ATOM 0 HG SER A 45 -10.400 -10.864 2.941 1.00 0.00 H new ATOM 534 N ARG A 46 -13.031 -7.357 4.409 1.00 0.00 N ATOM 535 CA ARG A 46 -13.449 -7.222 5.804 1.00 0.00 C ATOM 536 C ARG A 46 -14.545 -6.190 5.971 1.00 0.00 C ATOM 537 O ARG A 46 -15.304 -6.224 6.948 1.00 0.00 O ATOM 538 CB ARG A 46 -12.252 -6.843 6.672 1.00 0.00 C ATOM 539 CG ARG A 46 -11.151 -7.886 6.697 1.00 0.00 C ATOM 540 CD ARG A 46 -9.880 -7.336 7.318 1.00 0.00 C ATOM 541 NE ARG A 46 -10.064 -6.914 8.710 1.00 0.00 N ATOM 542 CZ ARG A 46 -10.034 -5.638 9.133 1.00 0.00 C ATOM 543 NH1 ARG A 46 -9.903 -4.638 8.262 1.00 0.00 N ATOM 544 NH2 ARG A 46 -10.146 -5.371 10.425 1.00 0.00 N ATOM 0 H ARG A 46 -12.578 -6.535 4.010 1.00 0.00 H new ATOM 0 HA ARG A 46 -13.848 -8.186 6.120 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.838 -5.902 6.310 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.596 -6.669 7.691 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -11.486 -8.757 7.261 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.945 -8.224 5.681 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -9.101 -8.097 7.274 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -9.531 -6.488 6.729 1.00 0.00 H new ATOM 0 HE ARG A 46 -10.226 -7.640 9.407 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.824 -4.837 7.265 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.881 -3.673 8.593 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.255 -6.132 11.095 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.124 -4.404 10.750 1.00 0.00 H new ATOM 558 N ASP A 47 -14.643 -5.290 5.030 1.00 0.00 N ATOM 559 CA ASP A 47 -15.623 -4.237 5.109 1.00 0.00 C ATOM 560 C ASP A 47 -16.614 -4.333 3.975 1.00 0.00 C ATOM 561 O ASP A 47 -17.821 -4.291 4.200 1.00 0.00 O ATOM 562 CB ASP A 47 -14.935 -2.874 5.100 1.00 0.00 C ATOM 563 CG ASP A 47 -13.999 -2.688 6.283 1.00 0.00 C ATOM 564 OD1 ASP A 47 -12.898 -3.277 6.279 1.00 0.00 O ATOM 565 OD2 ASP A 47 -14.368 -1.964 7.226 1.00 0.00 O ATOM 0 H ASP A 47 -14.055 -5.264 4.197 1.00 0.00 H new ATOM 0 HA ASP A 47 -16.170 -4.350 6.045 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -14.372 -2.761 4.174 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -15.691 -2.089 5.112 1.00 0.00 H new ATOM 570 N LEU A 48 -16.092 -4.442 2.743 1.00 0.00 N ATOM 571 CA LEU A 48 -16.916 -4.553 1.515 1.00 0.00 C ATOM 572 C LEU A 48 -17.571 -3.213 1.156 1.00 0.00 C ATOM 573 O LEU A 48 -17.790 -2.908 -0.013 1.00 0.00 O ATOM 574 CB LEU A 48 -17.978 -5.662 1.654 1.00 0.00 C ATOM 575 CG LEU A 48 -18.786 -5.984 0.396 1.00 0.00 C ATOM 576 CD1 LEU A 48 -17.884 -6.524 -0.702 1.00 0.00 C ATOM 577 CD2 LEU A 48 -19.893 -6.977 0.716 1.00 0.00 C ATOM 0 H LEU A 48 -15.088 -4.456 2.563 1.00 0.00 H new ATOM 0 HA LEU A 48 -16.248 -4.826 0.699 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -17.480 -6.574 1.984 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -18.673 -5.374 2.443 1.00 0.00 H new ATOM 0 HG LEU A 48 -19.242 -5.061 0.037 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -18.481 -6.746 -1.587 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -17.128 -5.779 -0.951 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -17.395 -7.435 -0.356 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -20.459 -7.196 -0.190 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -19.455 -7.898 1.102 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -20.559 -6.550 1.466 1.00 0.00 H new ATOM 589 N LYS A 49 -17.856 -2.413 2.171 1.00 0.00 N ATOM 590 CA LYS A 49 -18.473 -1.113 1.992 1.00 0.00 C ATOM 591 C LYS A 49 -17.426 -0.029 1.763 1.00 0.00 C ATOM 592 O LYS A 49 -17.747 1.157 1.706 1.00 0.00 O ATOM 593 CB LYS A 49 -19.339 -0.780 3.202 1.00 0.00 C ATOM 594 CG LYS A 49 -20.547 -1.689 3.338 1.00 0.00 C ATOM 595 CD LYS A 49 -21.281 -1.468 4.645 1.00 0.00 C ATOM 596 CE LYS A 49 -20.480 -1.983 5.829 1.00 0.00 C ATOM 597 NZ LYS A 49 -21.249 -1.891 7.094 1.00 0.00 N ATOM 0 H LYS A 49 -17.664 -2.650 3.144 1.00 0.00 H new ATOM 0 HA LYS A 49 -19.104 -1.151 1.104 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -18.734 -0.853 4.106 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -19.676 0.254 3.126 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -21.228 -1.513 2.506 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -20.227 -2.729 3.274 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -21.482 -0.405 4.775 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -22.247 -1.973 4.611 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -20.194 -3.020 5.652 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -19.558 -1.409 5.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -20.670 -2.251 7.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -21.500 -0.898 7.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -22.117 -2.459 7.015 1.00 0.00 H new ATOM 611 N ILE A 50 -16.175 -0.437 1.643 1.00 0.00 N ATOM 612 CA ILE A 50 -15.102 0.491 1.351 1.00 0.00 C ATOM 613 C ILE A 50 -14.988 0.663 -0.158 1.00 0.00 C ATOM 614 O ILE A 50 -14.724 -0.299 -0.882 1.00 0.00 O ATOM 615 CB ILE A 50 -13.743 0.028 1.948 1.00 0.00 C ATOM 616 CG1 ILE A 50 -13.798 0.087 3.479 1.00 0.00 C ATOM 617 CG2 ILE A 50 -12.606 0.902 1.424 1.00 0.00 C ATOM 618 CD1 ILE A 50 -12.500 -0.305 4.160 1.00 0.00 C ATOM 0 H ILE A 50 -15.879 -1.408 1.744 1.00 0.00 H new ATOM 0 HA ILE A 50 -15.342 1.445 1.819 1.00 0.00 H new ATOM 0 HB ILE A 50 -13.556 -1.001 1.641 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -14.065 1.099 3.784 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -14.593 -0.571 3.829 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -11.662 0.565 1.851 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -12.560 0.827 0.338 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -12.783 1.939 1.709 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -12.621 -0.237 5.241 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -12.241 -1.328 3.887 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -11.704 0.368 3.841 1.00 0.00 H new ATOM 630 N GLU A 51 -15.212 1.882 -0.622 1.00 0.00 N ATOM 631 CA GLU A 51 -15.205 2.177 -2.043 1.00 0.00 C ATOM 632 C GLU A 51 -13.813 2.116 -2.631 1.00 0.00 C ATOM 633 O GLU A 51 -12.812 2.331 -1.942 1.00 0.00 O ATOM 634 CB GLU A 51 -15.812 3.552 -2.311 1.00 0.00 C ATOM 635 CG GLU A 51 -15.061 4.693 -1.644 1.00 0.00 C ATOM 636 CD GLU A 51 -15.668 6.037 -1.946 1.00 0.00 C ATOM 637 OE1 GLU A 51 -16.588 6.454 -1.212 1.00 0.00 O ATOM 638 OE2 GLU A 51 -15.235 6.685 -2.917 1.00 0.00 O ATOM 0 H GLU A 51 -15.402 2.689 -0.028 1.00 0.00 H new ATOM 0 HA GLU A 51 -15.810 1.410 -2.527 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -15.836 3.725 -3.387 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -16.845 3.557 -1.964 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -15.052 4.536 -0.565 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -14.023 4.684 -1.976 1.00 0.00 H new ATOM 645 N GLN A 52 -13.761 1.827 -3.905 1.00 0.00 N ATOM 646 CA GLN A 52 -12.524 1.775 -4.625 1.00 0.00 C ATOM 647 C GLN A 52 -12.300 3.106 -5.307 1.00 0.00 C ATOM 648 O GLN A 52 -12.922 3.405 -6.329 1.00 0.00 O ATOM 649 CB GLN A 52 -12.537 0.640 -5.657 1.00 0.00 C ATOM 650 CG GLN A 52 -12.768 -0.747 -5.062 1.00 0.00 C ATOM 651 CD GLN A 52 -14.196 -0.967 -4.590 1.00 0.00 C ATOM 652 OE1 GLN A 52 -15.147 -0.398 -5.140 1.00 0.00 O ATOM 653 NE2 GLN A 52 -14.356 -1.783 -3.571 1.00 0.00 N ATOM 0 H GLN A 52 -14.583 1.620 -4.472 1.00 0.00 H new ATOM 0 HA GLN A 52 -11.710 1.577 -3.927 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -13.316 0.842 -6.392 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -11.587 0.640 -6.192 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -12.519 -1.501 -5.808 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -12.088 -0.893 -4.222 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -13.545 -2.233 -3.145 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -15.291 -1.966 -3.206 1.00 0.00 H new ATOM 662 N SER A 53 -11.445 3.909 -4.726 1.00 0.00 N ATOM 663 CA SER A 53 -11.160 5.228 -5.239 1.00 0.00 C ATOM 664 C SER A 53 -9.671 5.532 -5.094 1.00 0.00 C ATOM 665 O SER A 53 -9.020 5.025 -4.174 1.00 0.00 O ATOM 666 CB SER A 53 -12.014 6.277 -4.503 1.00 0.00 C ATOM 667 OG SER A 53 -13.401 6.038 -4.716 1.00 0.00 O ATOM 0 H SER A 53 -10.925 3.668 -3.882 1.00 0.00 H new ATOM 0 HA SER A 53 -11.415 5.266 -6.298 1.00 0.00 H new ATOM 0 HB2 SER A 53 -11.795 6.247 -3.436 1.00 0.00 H new ATOM 0 HB3 SER A 53 -11.754 7.276 -4.854 1.00 0.00 H new ATOM 0 HG SER A 53 -13.883 6.132 -3.868 1.00 0.00 H new ATOM 673 N PRO A 54 -9.109 6.366 -6.004 1.00 0.00 N ATOM 674 CA PRO A 54 -7.678 6.730 -5.993 1.00 0.00 C ATOM 675 C PRO A 54 -7.233 7.353 -4.669 1.00 0.00 C ATOM 676 O PRO A 54 -6.044 7.423 -4.382 1.00 0.00 O ATOM 677 CB PRO A 54 -7.548 7.750 -7.138 1.00 0.00 C ATOM 678 CG PRO A 54 -8.944 8.182 -7.437 1.00 0.00 C ATOM 679 CD PRO A 54 -9.817 7.007 -7.120 1.00 0.00 C ATOM 0 HA PRO A 54 -7.045 5.851 -6.115 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -6.928 8.597 -6.843 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.078 7.302 -8.014 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -9.222 9.048 -6.836 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.047 8.474 -8.482 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -10.823 7.316 -6.836 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -9.918 6.336 -7.973 1.00 0.00 H new ATOM 687 N GLU A 55 -8.205 7.797 -3.870 1.00 0.00 N ATOM 688 CA GLU A 55 -7.927 8.374 -2.560 1.00 0.00 C ATOM 689 C GLU A 55 -7.183 7.365 -1.687 1.00 0.00 C ATOM 690 O GLU A 55 -6.235 7.710 -0.982 1.00 0.00 O ATOM 691 CB GLU A 55 -9.232 8.783 -1.877 1.00 0.00 C ATOM 692 CG GLU A 55 -10.059 9.774 -2.673 1.00 0.00 C ATOM 693 CD GLU A 55 -11.358 10.126 -1.982 1.00 0.00 C ATOM 694 OE1 GLU A 55 -11.371 11.080 -1.184 1.00 0.00 O ATOM 695 OE2 GLU A 55 -12.370 9.447 -2.229 1.00 0.00 O ATOM 0 H GLU A 55 -9.195 7.766 -4.112 1.00 0.00 H new ATOM 0 HA GLU A 55 -7.303 9.257 -2.694 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.830 7.890 -1.694 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.001 9.217 -0.904 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.478 10.682 -2.833 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.275 9.356 -3.656 1.00 0.00 H new ATOM 702 N LEU A 56 -7.610 6.111 -1.758 1.00 0.00 N ATOM 703 CA LEU A 56 -6.979 5.044 -0.995 1.00 0.00 C ATOM 704 C LEU A 56 -5.578 4.798 -1.524 1.00 0.00 C ATOM 705 O LEU A 56 -4.605 4.814 -0.768 1.00 0.00 O ATOM 706 CB LEU A 56 -7.803 3.744 -1.066 1.00 0.00 C ATOM 707 CG LEU A 56 -9.134 3.723 -0.289 1.00 0.00 C ATOM 708 CD1 LEU A 56 -10.171 4.644 -0.924 1.00 0.00 C ATOM 709 CD2 LEU A 56 -9.666 2.303 -0.202 1.00 0.00 C ATOM 0 H LEU A 56 -8.393 5.808 -2.338 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.928 5.354 0.049 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.018 3.534 -2.114 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.182 2.927 -0.698 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.940 4.093 0.718 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -11.096 4.602 -0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.794 5.667 -0.931 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -10.366 4.322 -1.947 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -10.607 2.300 0.349 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.833 1.915 -1.207 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.941 1.674 0.314 1.00 0.00 H new ATOM 721 N SER A 57 -5.484 4.613 -2.835 1.00 0.00 N ATOM 722 CA SER A 57 -4.218 4.366 -3.525 1.00 0.00 C ATOM 723 C SER A 57 -3.250 5.559 -3.413 1.00 0.00 C ATOM 724 O SER A 57 -2.124 5.499 -3.897 1.00 0.00 O ATOM 725 CB SER A 57 -4.496 4.076 -4.994 1.00 0.00 C ATOM 726 OG SER A 57 -5.549 3.134 -5.134 1.00 0.00 O ATOM 0 H SER A 57 -6.291 4.630 -3.458 1.00 0.00 H new ATOM 0 HA SER A 57 -3.741 3.510 -3.047 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.759 5.001 -5.508 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.594 3.692 -5.470 1.00 0.00 H new ATOM 0 HG SER A 57 -5.712 2.964 -6.085 1.00 0.00 H new ATOM 732 N ALA A 58 -3.688 6.621 -2.765 1.00 0.00 N ATOM 733 CA ALA A 58 -2.873 7.805 -2.612 1.00 0.00 C ATOM 734 C ALA A 58 -2.281 7.840 -1.215 1.00 0.00 C ATOM 735 O ALA A 58 -1.121 8.194 -1.025 1.00 0.00 O ATOM 736 CB ALA A 58 -3.695 9.059 -2.874 1.00 0.00 C ATOM 0 H ALA A 58 -4.610 6.685 -2.334 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.063 7.773 -3.341 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -3.064 9.939 -2.754 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.088 9.030 -3.890 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.522 9.106 -2.166 1.00 0.00 H new ATOM 742 N LYS A 59 -3.072 7.420 -0.247 1.00 0.00 N ATOM 743 CA LYS A 59 -2.658 7.449 1.141 1.00 0.00 C ATOM 744 C LYS A 59 -1.733 6.285 1.467 1.00 0.00 C ATOM 745 O LYS A 59 -0.841 6.413 2.296 1.00 0.00 O ATOM 746 CB LYS A 59 -3.876 7.439 2.064 1.00 0.00 C ATOM 747 CG LYS A 59 -4.831 8.598 1.816 1.00 0.00 C ATOM 748 CD LYS A 59 -6.002 8.594 2.788 1.00 0.00 C ATOM 749 CE LYS A 59 -5.545 8.855 4.213 1.00 0.00 C ATOM 750 NZ LYS A 59 -6.688 9.005 5.147 1.00 0.00 N ATOM 0 H LYS A 59 -4.011 7.052 -0.399 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.103 8.373 1.304 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.414 6.500 1.933 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -3.538 7.471 3.100 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.289 9.539 1.906 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.208 8.544 0.795 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.724 9.354 2.492 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.513 7.633 2.739 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.911 8.034 4.546 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.936 9.759 4.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -6.331 9.182 6.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -7.280 9.805 4.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.256 8.134 5.144 1.00 0.00 H new ATOM 764 N VAL A 60 -1.946 5.160 0.800 1.00 0.00 N ATOM 765 CA VAL A 60 -1.126 3.966 1.025 1.00 0.00 C ATOM 766 C VAL A 60 0.325 4.182 0.565 1.00 0.00 C ATOM 767 O VAL A 60 1.258 3.629 1.141 1.00 0.00 O ATOM 768 CB VAL A 60 -1.711 2.724 0.297 1.00 0.00 C ATOM 769 CG1 VAL A 60 -0.880 1.484 0.591 1.00 0.00 C ATOM 770 CG2 VAL A 60 -3.157 2.490 0.705 1.00 0.00 C ATOM 0 H VAL A 60 -2.677 5.043 0.098 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.135 3.784 2.100 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.678 2.920 -0.775 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.308 0.627 0.071 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.143 1.642 0.249 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.878 1.293 1.664 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.545 1.616 0.183 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.209 2.323 1.781 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.755 3.363 0.444 1.00 0.00 H new ATOM 780 N VAL A 61 0.510 5.012 -0.449 1.00 0.00 N ATOM 781 CA VAL A 61 1.844 5.240 -0.987 1.00 0.00 C ATOM 782 C VAL A 61 2.458 6.550 -0.478 1.00 0.00 C ATOM 783 O VAL A 61 3.629 6.588 -0.107 1.00 0.00 O ATOM 784 CB VAL A 61 1.854 5.208 -2.547 1.00 0.00 C ATOM 785 CG1 VAL A 61 0.917 6.253 -3.136 1.00 0.00 C ATOM 786 CG2 VAL A 61 3.270 5.389 -3.084 1.00 0.00 C ATOM 0 H VAL A 61 -0.235 5.533 -0.912 1.00 0.00 H new ATOM 0 HA VAL A 61 2.462 4.418 -0.625 1.00 0.00 H new ATOM 0 HB VAL A 61 1.490 4.228 -2.856 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.951 6.200 -4.224 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.101 6.063 -2.795 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.229 7.246 -2.811 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.252 5.363 -4.174 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.666 6.348 -2.750 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.906 4.585 -2.713 1.00 0.00 H new ATOM 796 N GLU A 62 1.666 7.607 -0.440 1.00 0.00 N ATOM 797 CA GLU A 62 2.163 8.913 -0.033 1.00 0.00 C ATOM 798 C GLU A 62 2.220 9.053 1.486 1.00 0.00 C ATOM 799 O GLU A 62 3.262 9.402 2.050 1.00 0.00 O ATOM 800 CB GLU A 62 1.284 10.013 -0.631 1.00 0.00 C ATOM 801 CG GLU A 62 1.687 11.419 -0.238 1.00 0.00 C ATOM 802 CD GLU A 62 0.725 12.456 -0.758 1.00 0.00 C ATOM 803 OE1 GLU A 62 -0.338 12.651 -0.139 1.00 0.00 O ATOM 804 OE2 GLU A 62 1.018 13.079 -1.795 1.00 0.00 O ATOM 0 H GLU A 62 0.676 7.588 -0.686 1.00 0.00 H new ATOM 0 HA GLU A 62 3.181 9.013 -0.409 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.310 9.931 -1.718 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.252 9.844 -0.323 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.741 11.489 0.848 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.686 11.629 -0.621 1.00 0.00 H new ATOM 811 N LYS A 63 1.113 8.762 2.147 1.00 0.00 N ATOM 812 CA LYS A 63 1.014 8.963 3.582 1.00 0.00 C ATOM 813 C LYS A 63 1.641 7.810 4.362 1.00 0.00 C ATOM 814 O LYS A 63 2.576 8.018 5.110 1.00 0.00 O ATOM 815 CB LYS A 63 -0.449 9.156 3.994 1.00 0.00 C ATOM 816 CG LYS A 63 -1.145 10.320 3.293 1.00 0.00 C ATOM 817 CD LYS A 63 -0.472 11.652 3.606 1.00 0.00 C ATOM 818 CE LYS A 63 -1.159 12.802 2.884 1.00 0.00 C ATOM 819 NZ LYS A 63 -0.541 14.115 3.207 1.00 0.00 N ATOM 0 H LYS A 63 0.270 8.386 1.713 1.00 0.00 H new ATOM 0 HA LYS A 63 1.574 9.866 3.827 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.999 8.238 3.784 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.494 9.315 5.071 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.137 10.153 2.216 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.190 10.359 3.602 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.495 11.830 4.681 1.00 0.00 H new ATOM 0 HD3 LYS A 63 0.577 11.610 3.312 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -1.111 12.634 1.808 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.214 12.822 3.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -1.040 14.869 2.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.609 14.289 4.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.460 14.107 2.923 1.00 0.00 H new ATOM 833 N LEU A 64 1.097 6.615 4.193 1.00 0.00 N ATOM 834 CA LEU A 64 1.596 5.396 4.878 1.00 0.00 C ATOM 835 C LEU A 64 3.142 5.304 4.850 1.00 0.00 C ATOM 836 O LEU A 64 3.758 4.835 5.806 1.00 0.00 O ATOM 837 CB LEU A 64 0.963 4.141 4.242 1.00 0.00 C ATOM 838 CG LEU A 64 0.820 2.888 5.142 1.00 0.00 C ATOM 839 CD1 LEU A 64 2.172 2.312 5.530 1.00 0.00 C ATOM 840 CD2 LEU A 64 0.004 3.208 6.386 1.00 0.00 C ATOM 0 H LEU A 64 0.298 6.445 3.582 1.00 0.00 H new ATOM 0 HA LEU A 64 1.300 5.457 5.925 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.028 4.410 3.877 1.00 0.00 H new ATOM 0 HB3 LEU A 64 1.559 3.866 3.372 1.00 0.00 H new ATOM 0 HG LEU A 64 0.293 2.131 4.561 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.026 1.435 6.161 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.717 2.026 4.631 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.743 3.062 6.077 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.084 2.314 7.003 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.501 3.994 6.955 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.990 3.545 6.092 1.00 0.00 H new ATOM 852 N ASN A 65 3.754 5.803 3.779 1.00 0.00 N ATOM 853 CA ASN A 65 5.222 5.765 3.614 1.00 0.00 C ATOM 854 C ASN A 65 5.950 6.547 4.729 1.00 0.00 C ATOM 855 O ASN A 65 7.158 6.404 4.918 1.00 0.00 O ATOM 856 CB ASN A 65 5.608 6.290 2.220 1.00 0.00 C ATOM 857 CG ASN A 65 7.108 6.317 1.968 1.00 0.00 C ATOM 858 OD1 ASN A 65 7.771 7.328 2.196 1.00 0.00 O ATOM 859 ND2 ASN A 65 7.649 5.219 1.476 1.00 0.00 N ATOM 0 H ASN A 65 3.260 6.243 3.002 1.00 0.00 H new ATOM 0 HA ASN A 65 5.544 4.727 3.700 1.00 0.00 H new ATOM 0 HB2 ASN A 65 5.133 5.666 1.463 1.00 0.00 H new ATOM 0 HB3 ASN A 65 5.210 7.298 2.098 1.00 0.00 H new ATOM 0 HD21 ASN A 65 8.648 5.190 1.272 1.00 0.00 H new ATOM 0 HD22 ASN A 65 7.068 4.399 1.300 1.00 0.00 H new ATOM 866 N GLN A 66 5.193 7.316 5.498 1.00 0.00 N ATOM 867 CA GLN A 66 5.765 8.080 6.594 1.00 0.00 C ATOM 868 C GLN A 66 6.056 7.125 7.746 1.00 0.00 C ATOM 869 O GLN A 66 7.040 7.271 8.459 1.00 0.00 O ATOM 870 CB GLN A 66 4.831 9.223 7.037 1.00 0.00 C ATOM 871 CG GLN A 66 3.621 8.779 7.844 1.00 0.00 C ATOM 872 CD GLN A 66 2.554 9.841 7.913 1.00 0.00 C ATOM 873 OE1 GLN A 66 2.542 10.676 8.816 1.00 0.00 O ATOM 874 NE2 GLN A 66 1.656 9.813 6.955 1.00 0.00 N ATOM 0 H GLN A 66 4.186 7.427 5.383 1.00 0.00 H new ATOM 0 HA GLN A 66 6.691 8.550 6.263 1.00 0.00 H new ATOM 0 HB2 GLN A 66 5.406 9.934 7.631 1.00 0.00 H new ATOM 0 HB3 GLN A 66 4.484 9.755 6.151 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.203 7.876 7.399 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.937 8.519 8.854 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.708 9.100 6.227 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.906 10.504 6.938 1.00 0.00 H new ATOM 883 N VAL A 67 5.173 6.137 7.907 1.00 0.00 N ATOM 884 CA VAL A 67 5.359 5.089 8.889 1.00 0.00 C ATOM 885 C VAL A 67 6.564 4.245 8.510 1.00 0.00 C ATOM 886 O VAL A 67 7.397 3.930 9.349 1.00 0.00 O ATOM 887 CB VAL A 67 4.106 4.182 9.003 1.00 0.00 C ATOM 888 CG1 VAL A 67 4.303 3.116 10.074 1.00 0.00 C ATOM 889 CG2 VAL A 67 2.867 5.015 9.300 1.00 0.00 C ATOM 0 H VAL A 67 4.317 6.049 7.360 1.00 0.00 H new ATOM 0 HA VAL A 67 5.521 5.562 9.858 1.00 0.00 H new ATOM 0 HB VAL A 67 3.963 3.680 8.046 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.411 2.493 10.135 1.00 0.00 H new ATOM 0 HG12 VAL A 67 5.162 2.496 9.817 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.477 3.596 11.037 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.998 4.361 9.376 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.004 5.548 10.241 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.710 5.734 8.496 1.00 0.00 H new ATOM 899 N CYS A 68 6.651 3.883 7.228 1.00 0.00 N ATOM 900 CA CYS A 68 7.787 3.127 6.708 1.00 0.00 C ATOM 901 C CYS A 68 9.092 3.868 6.979 1.00 0.00 C ATOM 902 O CYS A 68 10.094 3.268 7.342 1.00 0.00 O ATOM 903 CB CYS A 68 7.615 2.927 5.208 1.00 0.00 C ATOM 904 SG CYS A 68 5.888 2.656 4.696 1.00 0.00 S ATOM 0 H CYS A 68 5.942 4.104 6.529 1.00 0.00 H new ATOM 0 HA CYS A 68 7.826 2.159 7.208 1.00 0.00 H new ATOM 0 HB2 CYS A 68 8.006 3.801 4.687 1.00 0.00 H new ATOM 0 HB3 CYS A 68 8.216 2.074 4.893 1.00 0.00 H new ATOM 909 N ALA A 69 9.069 5.182 6.773 1.00 0.00 N ATOM 910 CA ALA A 69 10.223 6.035 7.061 1.00 0.00 C ATOM 911 C ALA A 69 10.664 5.920 8.529 1.00 0.00 C ATOM 912 O ALA A 69 11.808 6.228 8.869 1.00 0.00 O ATOM 913 CB ALA A 69 9.912 7.482 6.712 1.00 0.00 C ATOM 0 H ALA A 69 8.260 5.683 6.406 1.00 0.00 H new ATOM 0 HA ALA A 69 11.051 5.690 6.441 1.00 0.00 H new ATOM 0 HB1 ALA A 69 10.780 8.104 6.932 1.00 0.00 H new ATOM 0 HB2 ALA A 69 9.671 7.557 5.652 1.00 0.00 H new ATOM 0 HB3 ALA A 69 9.062 7.824 7.302 1.00 0.00 H new ATOM 919 N LYS A 70 9.755 5.472 9.389 1.00 0.00 N ATOM 920 CA LYS A 70 10.049 5.305 10.810 1.00 0.00 C ATOM 921 C LYS A 70 10.435 3.859 11.117 1.00 0.00 C ATOM 922 O LYS A 70 11.100 3.582 12.119 1.00 0.00 O ATOM 923 CB LYS A 70 8.837 5.688 11.657 1.00 0.00 C ATOM 924 CG LYS A 70 8.313 7.083 11.400 1.00 0.00 C ATOM 925 CD LYS A 70 7.108 7.375 12.273 1.00 0.00 C ATOM 926 CE LYS A 70 6.500 8.720 11.944 1.00 0.00 C ATOM 927 NZ LYS A 70 5.365 9.043 12.842 1.00 0.00 N ATOM 0 H LYS A 70 8.803 5.217 9.126 1.00 0.00 H new ATOM 0 HA LYS A 70 10.885 5.960 11.055 1.00 0.00 H new ATOM 0 HB2 LYS A 70 8.037 4.972 11.470 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.103 5.601 12.711 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.097 7.813 11.599 1.00 0.00 H new ATOM 0 HG3 LYS A 70 8.040 7.186 10.350 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.361 6.593 12.137 1.00 0.00 H new ATOM 0 HD3 LYS A 70 7.403 7.355 13.322 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.262 9.494 12.028 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.157 8.721 10.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 4.974 9.972 12.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.627 8.317 12.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.698 9.067 13.827 1.00 0.00 H new ATOM 941 N ASP A 71 10.025 2.947 10.249 1.00 0.00 N ATOM 942 CA ASP A 71 10.297 1.518 10.420 1.00 0.00 C ATOM 943 C ASP A 71 10.387 0.841 9.050 1.00 0.00 C ATOM 944 O ASP A 71 9.368 0.574 8.410 1.00 0.00 O ATOM 945 CB ASP A 71 9.200 0.858 11.266 1.00 0.00 C ATOM 946 CG ASP A 71 9.500 -0.595 11.585 1.00 0.00 C ATOM 947 OD1 ASP A 71 10.321 -0.849 12.486 1.00 0.00 O ATOM 948 OD2 ASP A 71 8.903 -1.483 10.958 1.00 0.00 O ATOM 0 H ASP A 71 9.495 3.170 9.406 1.00 0.00 H new ATOM 0 HA ASP A 71 11.248 1.401 10.940 1.00 0.00 H new ATOM 0 HB2 ASP A 71 9.082 1.413 12.197 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.250 0.920 10.735 1.00 0.00 H new ATOM 953 N PRO A 72 11.617 0.576 8.573 1.00 0.00 N ATOM 954 CA PRO A 72 11.852 -0.010 7.239 1.00 0.00 C ATOM 955 C PRO A 72 11.369 -1.456 7.105 1.00 0.00 C ATOM 956 O PRO A 72 11.353 -2.010 6.007 1.00 0.00 O ATOM 957 CB PRO A 72 13.382 0.052 7.077 1.00 0.00 C ATOM 958 CG PRO A 72 13.856 0.976 8.148 1.00 0.00 C ATOM 959 CD PRO A 72 12.877 0.840 9.274 1.00 0.00 C ATOM 0 HA PRO A 72 11.295 0.534 6.476 1.00 0.00 H new ATOM 0 HB2 PRO A 72 13.829 -0.936 7.184 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.658 0.421 6.089 1.00 0.00 H new ATOM 0 HG2 PRO A 72 14.863 0.713 8.473 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.895 2.004 7.787 1.00 0.00 H new ATOM 0 HD2 PRO A 72 13.144 0.026 9.947 1.00 0.00 H new ATOM 0 HD3 PRO A 72 12.823 1.747 9.876 1.00 0.00 H new ATOM 967 N GLN A 73 10.996 -2.074 8.215 1.00 0.00 N ATOM 968 CA GLN A 73 10.523 -3.458 8.204 1.00 0.00 C ATOM 969 C GLN A 73 9.081 -3.566 7.696 1.00 0.00 C ATOM 970 O GLN A 73 8.553 -4.670 7.534 1.00 0.00 O ATOM 971 CB GLN A 73 10.629 -4.082 9.603 1.00 0.00 C ATOM 972 CG GLN A 73 12.057 -4.373 10.080 1.00 0.00 C ATOM 973 CD GLN A 73 12.914 -3.126 10.239 1.00 0.00 C ATOM 974 OE1 GLN A 73 13.621 -2.719 9.317 1.00 0.00 O ATOM 975 NE2 GLN A 73 12.845 -2.509 11.397 1.00 0.00 N ATOM 0 H GLN A 73 11.010 -1.642 9.139 1.00 0.00 H new ATOM 0 HA GLN A 73 11.165 -4.008 7.516 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.153 -3.412 10.319 1.00 0.00 H new ATOM 0 HB3 GLN A 73 10.063 -5.013 9.612 1.00 0.00 H new ATOM 0 HG2 GLN A 73 12.012 -4.897 11.035 1.00 0.00 H new ATOM 0 HG3 GLN A 73 12.538 -5.046 9.370 1.00 0.00 H new ATOM 0 HE21 GLN A 73 12.247 -2.878 12.137 1.00 0.00 H new ATOM 0 HE22 GLN A 73 13.389 -1.661 11.556 1.00 0.00 H new ATOM 984 N MET A 74 8.453 -2.431 7.448 1.00 0.00 N ATOM 985 CA MET A 74 7.077 -2.408 6.977 1.00 0.00 C ATOM 986 C MET A 74 6.986 -2.828 5.502 1.00 0.00 C ATOM 987 O MET A 74 7.369 -2.071 4.598 1.00 0.00 O ATOM 988 CB MET A 74 6.468 -1.017 7.176 1.00 0.00 C ATOM 989 CG MET A 74 4.978 -0.941 6.869 1.00 0.00 C ATOM 990 SD MET A 74 3.988 -2.028 7.914 1.00 0.00 S ATOM 991 CE MET A 74 4.385 -1.394 9.544 1.00 0.00 C ATOM 0 H MET A 74 8.874 -1.509 7.565 1.00 0.00 H new ATOM 0 HA MET A 74 6.508 -3.128 7.566 1.00 0.00 H new ATOM 0 HB2 MET A 74 6.632 -0.704 8.207 1.00 0.00 H new ATOM 0 HB3 MET A 74 6.996 -0.307 6.540 1.00 0.00 H new ATOM 0 HG2 MET A 74 4.638 0.087 6.998 1.00 0.00 H new ATOM 0 HG3 MET A 74 4.814 -1.203 5.824 1.00 0.00 H new ATOM 0 HE1 MET A 74 3.633 -1.730 10.258 1.00 0.00 H new ATOM 0 HE2 MET A 74 5.365 -1.762 9.849 1.00 0.00 H new ATOM 0 HE3 MET A 74 4.398 -0.304 9.517 1.00 0.00 H new ATOM 1001 N LEU A 75 6.490 -4.039 5.273 1.00 0.00 N ATOM 1002 CA LEU A 75 6.326 -4.576 3.923 1.00 0.00 C ATOM 1003 C LEU A 75 5.191 -3.868 3.199 1.00 0.00 C ATOM 1004 O LEU A 75 4.323 -3.270 3.832 1.00 0.00 O ATOM 1005 CB LEU A 75 6.048 -6.082 3.980 1.00 0.00 C ATOM 1006 CG LEU A 75 7.142 -6.939 4.626 1.00 0.00 C ATOM 1007 CD1 LEU A 75 6.689 -8.387 4.733 1.00 0.00 C ATOM 1008 CD2 LEU A 75 8.438 -6.844 3.834 1.00 0.00 C ATOM 0 H LEU A 75 6.191 -4.675 6.012 1.00 0.00 H new ATOM 0 HA LEU A 75 7.252 -4.406 3.373 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.119 -6.240 4.527 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.885 -6.441 2.964 1.00 0.00 H new ATOM 0 HG LEU A 75 7.326 -6.558 5.631 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.478 -8.982 5.194 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.788 -8.442 5.345 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.476 -8.776 3.737 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.201 -7.460 4.310 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.269 -7.197 2.817 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.773 -5.807 3.807 1.00 0.00 H new ATOM 1020 N LEU A 76 5.198 -3.942 1.874 1.00 0.00 N ATOM 1021 CA LEU A 76 4.173 -3.293 1.059 1.00 0.00 C ATOM 1022 C LEU A 76 2.781 -3.832 1.390 1.00 0.00 C ATOM 1023 O LEU A 76 1.844 -3.067 1.601 1.00 0.00 O ATOM 1024 CB LEU A 76 4.472 -3.480 -0.431 1.00 0.00 C ATOM 1025 CG LEU A 76 3.483 -2.815 -1.396 1.00 0.00 C ATOM 1026 CD1 LEU A 76 3.478 -1.304 -1.208 1.00 0.00 C ATOM 1027 CD2 LEU A 76 3.817 -3.172 -2.834 1.00 0.00 C ATOM 0 H LEU A 76 5.904 -4.446 1.337 1.00 0.00 H new ATOM 0 HA LEU A 76 4.189 -2.228 1.290 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.469 -3.089 -0.635 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.499 -4.548 -0.646 1.00 0.00 H new ATOM 0 HG LEU A 76 2.485 -3.190 -1.171 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.769 -0.853 -1.903 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.185 -1.066 -0.185 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.476 -0.910 -1.401 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.104 -2.691 -3.503 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.824 -2.829 -3.069 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.763 -4.253 -2.963 1.00 0.00 H new ATOM 1039 N ILE A 77 2.658 -5.152 1.442 1.00 0.00 N ATOM 1040 CA ILE A 77 1.386 -5.787 1.767 1.00 0.00 C ATOM 1041 C ILE A 77 0.935 -5.412 3.174 1.00 0.00 C ATOM 1042 O ILE A 77 -0.240 -5.115 3.402 1.00 0.00 O ATOM 1043 CB ILE A 77 1.469 -7.329 1.637 1.00 0.00 C ATOM 1044 CG1 ILE A 77 1.678 -7.728 0.174 1.00 0.00 C ATOM 1045 CG2 ILE A 77 0.218 -7.998 2.198 1.00 0.00 C ATOM 1046 CD1 ILE A 77 0.547 -7.307 -0.743 1.00 0.00 C ATOM 0 H ILE A 77 3.422 -5.804 1.264 1.00 0.00 H new ATOM 0 HA ILE A 77 0.652 -5.422 1.049 1.00 0.00 H new ATOM 0 HB ILE A 77 2.323 -7.672 2.221 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.607 -7.285 -0.184 1.00 0.00 H new ATOM 0 HG13 ILE A 77 1.797 -8.810 0.116 1.00 0.00 H new ATOM 0 HG21 ILE A 77 0.305 -9.079 2.093 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.111 -7.743 3.252 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.658 -7.650 1.650 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.767 -7.625 -1.762 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -0.382 -7.771 -0.411 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.441 -6.222 -0.716 1.00 0.00 H new ATOM 1058 N THR A 78 1.879 -5.392 4.101 1.00 0.00 N ATOM 1059 CA THR A 78 1.588 -5.044 5.475 1.00 0.00 C ATOM 1060 C THR A 78 1.108 -3.593 5.550 1.00 0.00 C ATOM 1061 O THR A 78 0.165 -3.277 6.272 1.00 0.00 O ATOM 1062 CB THR A 78 2.828 -5.242 6.362 1.00 0.00 C ATOM 1063 OG1 THR A 78 3.425 -6.512 6.057 1.00 0.00 O ATOM 1064 CG2 THR A 78 2.447 -5.208 7.838 1.00 0.00 C ATOM 0 H THR A 78 2.858 -5.615 3.921 1.00 0.00 H new ATOM 0 HA THR A 78 0.800 -5.701 5.842 1.00 0.00 H new ATOM 0 HB THR A 78 3.533 -4.435 6.165 1.00 0.00 H new ATOM 0 HG1 THR A 78 4.218 -6.644 6.618 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.339 -5.350 8.447 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.995 -4.245 8.075 1.00 0.00 H new ATOM 0 HG23 THR A 78 1.734 -6.005 8.048 1.00 0.00 H new ATOM 1072 N ALA A 79 1.775 -2.722 4.796 1.00 0.00 N ATOM 1073 CA ALA A 79 1.383 -1.322 4.684 1.00 0.00 C ATOM 1074 C ALA A 79 -0.083 -1.198 4.263 1.00 0.00 C ATOM 1075 O ALA A 79 -0.865 -0.493 4.904 1.00 0.00 O ATOM 1076 CB ALA A 79 2.276 -0.611 3.684 1.00 0.00 C ATOM 0 H ALA A 79 2.599 -2.967 4.248 1.00 0.00 H new ATOM 0 HA ALA A 79 1.498 -0.854 5.662 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.976 0.434 3.607 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.312 -0.667 4.017 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.182 -1.088 2.709 1.00 0.00 H new ATOM 1082 N ILE A 80 -0.448 -1.899 3.192 1.00 0.00 N ATOM 1083 CA ILE A 80 -1.822 -1.880 2.691 1.00 0.00 C ATOM 1084 C ILE A 80 -2.784 -2.397 3.763 1.00 0.00 C ATOM 1085 O ILE A 80 -3.826 -1.785 4.035 1.00 0.00 O ATOM 1086 CB ILE A 80 -1.977 -2.754 1.419 1.00 0.00 C ATOM 1087 CG1 ILE A 80 -0.959 -2.338 0.351 1.00 0.00 C ATOM 1088 CG2 ILE A 80 -3.394 -2.643 0.873 1.00 0.00 C ATOM 1089 CD1 ILE A 80 -0.948 -3.240 -0.867 1.00 0.00 C ATOM 0 H ILE A 80 0.188 -2.488 2.654 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.060 -0.847 2.439 1.00 0.00 H new ATOM 0 HB ILE A 80 -1.786 -3.793 1.688 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.175 -1.318 0.034 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.037 -2.330 0.795 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -3.489 -3.261 -0.020 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.103 -2.984 1.628 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -3.606 -1.604 0.619 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -0.203 -2.882 -1.578 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -0.701 -4.258 -0.564 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -1.932 -3.230 -1.336 1.00 0.00 H new ATOM 1101 N ASP A 81 -2.410 -3.514 4.375 1.00 0.00 N ATOM 1102 CA ASP A 81 -3.206 -4.143 5.427 1.00 0.00 C ATOM 1103 C ASP A 81 -3.438 -3.165 6.576 1.00 0.00 C ATOM 1104 O ASP A 81 -4.558 -2.994 7.045 1.00 0.00 O ATOM 1105 CB ASP A 81 -2.481 -5.395 5.947 1.00 0.00 C ATOM 1106 CG ASP A 81 -3.313 -6.231 6.910 1.00 0.00 C ATOM 1107 OD1 ASP A 81 -3.630 -5.752 8.019 1.00 0.00 O ATOM 1108 OD2 ASP A 81 -3.617 -7.396 6.575 1.00 0.00 O ATOM 0 H ASP A 81 -1.546 -4.011 4.157 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.172 -4.430 5.012 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -2.192 -6.015 5.098 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.561 -5.090 6.446 1.00 0.00 H new ATOM 1113 N ASP A 82 -2.378 -2.502 6.999 1.00 0.00 N ATOM 1114 CA ASP A 82 -2.454 -1.565 8.113 1.00 0.00 C ATOM 1115 C ASP A 82 -3.293 -0.336 7.757 1.00 0.00 C ATOM 1116 O ASP A 82 -3.989 0.218 8.609 1.00 0.00 O ATOM 1117 CB ASP A 82 -1.055 -1.137 8.556 1.00 0.00 C ATOM 1118 CG ASP A 82 -1.058 -0.487 9.925 1.00 0.00 C ATOM 1119 OD1 ASP A 82 -0.961 -1.224 10.931 1.00 0.00 O ATOM 1120 OD2 ASP A 82 -1.154 0.753 10.007 1.00 0.00 O ATOM 0 H ASP A 82 -1.449 -2.593 6.588 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.944 -2.080 8.940 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.399 -2.007 8.571 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.643 -0.440 7.826 1.00 0.00 H new ATOM 1125 N THR A 83 -3.257 0.065 6.487 1.00 0.00 N ATOM 1126 CA THR A 83 -3.999 1.233 6.042 1.00 0.00 C ATOM 1127 C THR A 83 -5.503 0.971 6.105 1.00 0.00 C ATOM 1128 O THR A 83 -6.267 1.819 6.564 1.00 0.00 O ATOM 1129 CB THR A 83 -3.611 1.655 4.604 1.00 0.00 C ATOM 1130 OG1 THR A 83 -2.191 1.804 4.506 1.00 0.00 O ATOM 1131 CG2 THR A 83 -4.274 2.978 4.235 1.00 0.00 C ATOM 0 H THR A 83 -2.723 -0.403 5.754 1.00 0.00 H new ATOM 0 HA THR A 83 -3.740 2.049 6.717 1.00 0.00 H new ATOM 0 HB THR A 83 -3.951 0.880 3.918 1.00 0.00 H new ATOM 0 HG1 THR A 83 -1.769 0.920 4.501 1.00 0.00 H new ATOM 0 HG21 THR A 83 -3.989 3.257 3.221 1.00 0.00 H new ATOM 0 HG22 THR A 83 -5.357 2.870 4.291 1.00 0.00 H new ATOM 0 HG23 THR A 83 -3.950 3.753 4.929 1.00 0.00 H new ATOM 1139 N MET A 84 -5.924 -0.221 5.674 1.00 0.00 N ATOM 1140 CA MET A 84 -7.343 -0.561 5.693 1.00 0.00 C ATOM 1141 C MET A 84 -7.837 -0.657 7.134 1.00 0.00 C ATOM 1142 O MET A 84 -8.994 -0.383 7.418 1.00 0.00 O ATOM 1143 CB MET A 84 -7.627 -1.877 4.950 1.00 0.00 C ATOM 1144 CG MET A 84 -7.159 -3.094 5.696 1.00 0.00 C ATOM 1145 SD MET A 84 -7.681 -4.631 4.953 1.00 0.00 S ATOM 1146 CE MET A 84 -7.176 -5.740 6.249 1.00 0.00 C ATOM 0 H MET A 84 -5.312 -0.953 5.314 1.00 0.00 H new ATOM 0 HA MET A 84 -7.880 0.233 5.174 1.00 0.00 H new ATOM 0 HB2 MET A 84 -8.699 -1.960 4.769 1.00 0.00 H new ATOM 0 HB3 MET A 84 -7.141 -1.848 3.975 1.00 0.00 H new ATOM 0 HG2 MET A 84 -6.071 -3.079 5.753 1.00 0.00 H new ATOM 0 HG3 MET A 84 -7.533 -3.049 6.719 1.00 0.00 H new ATOM 0 HE1 MET A 84 -7.515 -6.749 6.017 1.00 0.00 H new ATOM 0 HE2 MET A 84 -6.089 -5.733 6.331 1.00 0.00 H new ATOM 0 HE3 MET A 84 -7.614 -5.418 7.194 1.00 0.00 H new ATOM 1156 N ARG A 85 -6.939 -1.049 8.047 1.00 0.00 N ATOM 1157 CA ARG A 85 -7.272 -1.126 9.466 1.00 0.00 C ATOM 1158 C ARG A 85 -7.495 0.274 10.006 1.00 0.00 C ATOM 1159 O ARG A 85 -8.434 0.524 10.755 1.00 0.00 O ATOM 1160 CB ARG A 85 -6.150 -1.819 10.253 1.00 0.00 C ATOM 1161 CG ARG A 85 -5.860 -3.240 9.793 1.00 0.00 C ATOM 1162 CD ARG A 85 -4.668 -3.836 10.530 1.00 0.00 C ATOM 1163 NE ARG A 85 -4.962 -4.113 11.935 1.00 0.00 N ATOM 1164 CZ ARG A 85 -4.047 -4.468 12.843 1.00 0.00 C ATOM 1165 NH1 ARG A 85 -2.760 -4.543 12.508 1.00 0.00 N ATOM 1166 NH2 ARG A 85 -4.420 -4.744 14.086 1.00 0.00 N ATOM 0 H ARG A 85 -5.980 -1.316 7.824 1.00 0.00 H new ATOM 0 HA ARG A 85 -8.182 -1.714 9.582 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -5.239 -1.227 10.166 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -6.418 -1.837 11.309 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -6.739 -3.863 9.958 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -5.664 -3.243 8.721 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -4.364 -4.759 10.037 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -3.825 -3.148 10.467 1.00 0.00 H new ATOM 0 HE ARG A 85 -5.931 -4.030 12.243 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -2.468 -4.329 11.554 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -2.067 -4.814 13.205 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -5.404 -4.685 14.348 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -3.723 -5.015 14.779 1.00 0.00 H new ATOM 1180 N ALA A 86 -6.610 1.188 9.616 1.00 0.00 N ATOM 1181 CA ALA A 86 -6.728 2.586 9.995 1.00 0.00 C ATOM 1182 C ALA A 86 -8.016 3.188 9.441 1.00 0.00 C ATOM 1183 O ALA A 86 -8.622 4.057 10.068 1.00 0.00 O ATOM 1184 CB ALA A 86 -5.521 3.371 9.504 1.00 0.00 C ATOM 0 H ALA A 86 -5.799 0.979 9.034 1.00 0.00 H new ATOM 0 HA ALA A 86 -6.763 2.645 11.083 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.624 4.416 9.795 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -4.614 2.958 9.946 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.459 3.302 8.418 1.00 0.00 H new ATOM 1190 N ILE A 87 -8.419 2.732 8.257 1.00 0.00 N ATOM 1191 CA ILE A 87 -9.660 3.185 7.649 1.00 0.00 C ATOM 1192 C ILE A 87 -10.861 2.608 8.390 1.00 0.00 C ATOM 1193 O ILE A 87 -11.732 3.359 8.814 1.00 0.00 O ATOM 1194 CB ILE A 87 -9.744 2.800 6.148 1.00 0.00 C ATOM 1195 CG1 ILE A 87 -8.605 3.461 5.360 1.00 0.00 C ATOM 1196 CG2 ILE A 87 -11.100 3.196 5.563 1.00 0.00 C ATOM 1197 CD1 ILE A 87 -8.562 3.071 3.895 1.00 0.00 C ATOM 0 H ILE A 87 -7.902 2.050 7.703 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.673 4.272 7.722 1.00 0.00 H new ATOM 0 HB ILE A 87 -9.640 1.718 6.066 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -8.706 4.544 5.434 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -7.655 3.197 5.824 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -11.137 2.917 4.510 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -11.894 2.680 6.103 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -11.237 4.273 5.658 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.730 3.579 3.407 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -8.429 1.993 3.809 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -9.496 3.361 3.414 1.00 0.00 H new ATOM 1209 N GLY A 88 -10.851 1.264 8.586 1.00 0.00 N ATOM 1210 CA GLY A 88 -11.947 0.533 9.251 1.00 0.00 C ATOM 1211 C GLY A 88 -13.338 1.149 9.062 1.00 0.00 C ATOM 1212 O GLY A 88 -13.739 2.031 9.832 1.00 0.00 O ATOM 0 H GLY A 88 -10.083 0.664 8.286 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -11.964 -0.490 8.874 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -11.732 0.476 10.318 1.00 0.00 H new ATOM 1216 N LYS A 89 -14.083 0.660 8.091 1.00 0.00 N ATOM 1217 CA LYS A 89 -15.400 1.214 7.802 1.00 0.00 C ATOM 1218 C LYS A 89 -16.372 0.887 8.931 1.00 0.00 C ATOM 1219 O LYS A 89 -16.603 -0.280 9.246 1.00 0.00 O ATOM 1220 CB LYS A 89 -15.942 0.683 6.470 1.00 0.00 C ATOM 1221 CG LYS A 89 -17.280 1.291 6.058 1.00 0.00 C ATOM 1222 CD LYS A 89 -17.152 2.781 5.764 1.00 0.00 C ATOM 1223 CE LYS A 89 -18.497 3.400 5.417 1.00 0.00 C ATOM 1224 NZ LYS A 89 -18.359 4.813 4.979 1.00 0.00 N ATOM 0 H LYS A 89 -13.805 -0.115 7.489 1.00 0.00 H new ATOM 0 HA LYS A 89 -15.299 2.296 7.722 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -15.209 0.879 5.687 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -16.052 -0.399 6.540 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -17.658 0.776 5.174 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -18.010 1.138 6.853 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -16.730 3.289 6.631 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -16.457 2.931 4.937 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -18.971 2.819 4.626 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -19.154 3.351 6.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -19.297 5.199 4.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -17.930 5.373 5.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -17.753 4.857 4.135 1.00 0.00 H new ATOM 1238 N LYS A 90 -16.923 1.917 9.547 1.00 0.00 N ATOM 1239 CA LYS A 90 -17.866 1.729 10.633 1.00 0.00 C ATOM 1240 C LYS A 90 -19.293 1.846 10.124 1.00 0.00 C ATOM 1241 O LYS A 90 -19.865 2.951 10.202 1.00 0.00 O ATOM 1242 CB LYS A 90 -17.611 2.742 11.756 1.00 0.00 C ATOM 1243 CG LYS A 90 -16.254 2.585 12.420 1.00 0.00 C ATOM 1244 CD LYS A 90 -16.056 3.587 13.548 1.00 0.00 C ATOM 1245 CE LYS A 90 -14.713 3.376 14.232 1.00 0.00 C ATOM 1246 NZ LYS A 90 -14.499 4.321 15.353 1.00 0.00 N ATOM 1247 OXT LYS A 90 -19.836 0.838 9.637 1.00 0.00 O ATOM 0 H LYS A 90 -16.734 2.892 9.314 1.00 0.00 H new ATOM 0 HA LYS A 90 -17.724 0.727 11.039 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -17.693 3.750 11.350 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -18.390 2.638 12.511 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -16.156 1.573 12.812 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -15.468 2.716 11.676 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -16.112 4.601 13.153 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -16.860 3.484 14.277 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -14.654 2.354 14.605 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -13.913 3.495 13.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -13.572 4.139 15.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -14.528 5.297 14.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -15.247 4.191 16.064 1.00 0.00 H new TER 1261 LYS A 90