USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 713 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 52 HIS :FLIP no HD1:sc= -1.44 F(o=-3.5,f=-2.6) USER MOD Set 1.2: A 78 HIS : no HD1:sc= -1.12 K(o=-2.6,f=-3.2) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0477 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.127 USER MOD Single : A 13 LYS NZ :NH3+ -144:sc= -2.12 (180deg=-3.87!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 172:sc= 0.0415 (180deg=0.0373) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 165:sc=-0.00889 (180deg=-0.153) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 158:sc= -0.0457 (180deg=-0.362) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.143 X(o=-0.14,f=-0.0052) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -0.0534 K(o=-0.053,f=-3.8!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.756 X(o=-0.76,f=-0.58) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.188 X(o=-0.19,f=-0.19) USER MOD Single : A 79 THR OG1 : rot -15:sc= 0.27 USER MOD Single : A 80 THR OG1 : rot -65:sc= 1.23 USER MOD Single : A 82 LYS NZ :NH3+ -148:sc= -0.0357 (180deg=-0.295) USER MOD Single : A 87 HIS :FLIP no HD1:sc= -0.762 F(o=-1.4,f=-0.76) USER MOD ----------------------------------------------------------------- ATOM 22 N PHE A 2 -11.773 17.756 -4.643 1.00 0.00 N ATOM 23 CA PHE A 2 -12.027 16.451 -5.245 1.00 0.00 C ATOM 24 C PHE A 2 -11.146 15.374 -4.617 1.00 0.00 C ATOM 25 O PHE A 2 -10.217 15.677 -3.868 1.00 0.00 O ATOM 26 CB PHE A 2 -11.784 16.506 -6.756 1.00 0.00 C ATOM 27 CG PHE A 2 -10.532 17.243 -7.139 1.00 0.00 C ATOM 28 CD1 PHE A 2 -9.285 16.682 -6.917 1.00 0.00 C ATOM 29 CD2 PHE A 2 -10.603 18.499 -7.723 1.00 0.00 C ATOM 30 CE1 PHE A 2 -8.132 17.358 -7.269 1.00 0.00 C ATOM 31 CE2 PHE A 2 -9.453 19.180 -8.076 1.00 0.00 C ATOM 32 CZ PHE A 2 -8.217 18.608 -7.850 1.00 0.00 C ATOM 0 HA PHE A 2 -13.070 16.194 -5.058 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -11.729 15.489 -7.144 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -12.638 16.984 -7.235 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -9.213 15.705 -6.463 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -11.567 18.950 -7.904 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -7.166 16.909 -7.090 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -9.521 20.158 -8.528 1.00 0.00 H new ATOM 0 HZ PHE A 2 -7.317 19.138 -8.127 1.00 0.00 H new ATOM 42 N ILE A 3 -11.444 14.117 -4.931 1.00 0.00 N ATOM 43 CA ILE A 3 -10.681 12.992 -4.401 1.00 0.00 C ATOM 44 C ILE A 3 -9.310 12.901 -5.060 1.00 0.00 C ATOM 45 O ILE A 3 -9.202 12.832 -6.285 1.00 0.00 O ATOM 46 CB ILE A 3 -11.428 11.659 -4.607 1.00 0.00 C ATOM 47 CG1 ILE A 3 -12.869 11.772 -4.105 1.00 0.00 C ATOM 48 CG2 ILE A 3 -10.699 10.527 -3.897 1.00 0.00 C ATOM 49 CD1 ILE A 3 -13.763 10.646 -4.579 1.00 0.00 C ATOM 0 H ILE A 3 -12.209 13.852 -5.551 1.00 0.00 H new ATOM 0 HA ILE A 3 -10.557 13.168 -3.332 1.00 0.00 H new ATOM 0 HB ILE A 3 -11.453 11.435 -5.674 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -12.866 11.788 -3.015 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -13.288 12.722 -4.437 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -11.239 9.593 -4.052 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -9.690 10.434 -4.300 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -10.645 10.742 -2.830 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -14.769 10.790 -4.186 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -13.796 10.642 -5.668 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -13.368 9.694 -4.225 1.00 0.00 H new ATOM 61 N ALA A 4 -8.264 12.899 -4.241 1.00 0.00 N ATOM 62 CA ALA A 4 -6.899 12.815 -4.745 1.00 0.00 C ATOM 63 C ALA A 4 -6.310 11.429 -4.507 1.00 0.00 C ATOM 64 O ALA A 4 -6.004 11.060 -3.373 1.00 0.00 O ATOM 65 CB ALA A 4 -6.028 13.878 -4.091 1.00 0.00 C ATOM 0 H ALA A 4 -8.336 12.955 -3.225 1.00 0.00 H new ATOM 0 HA ALA A 4 -6.924 12.992 -5.820 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -5.011 13.803 -4.477 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -6.430 14.866 -4.315 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -6.018 13.727 -3.012 1.00 0.00 H new ATOM 71 N THR A 5 -6.155 10.667 -5.583 1.00 0.00 N ATOM 72 CA THR A 5 -5.602 9.322 -5.494 1.00 0.00 C ATOM 73 C THR A 5 -4.101 9.330 -5.767 1.00 0.00 C ATOM 74 O THR A 5 -3.552 10.326 -6.237 1.00 0.00 O ATOM 75 CB THR A 5 -6.305 8.393 -6.485 1.00 0.00 C ATOM 76 OG1 THR A 5 -6.683 9.099 -7.653 1.00 0.00 O ATOM 77 CG2 THR A 5 -7.551 7.748 -5.917 1.00 0.00 C ATOM 0 H THR A 5 -6.405 10.958 -6.528 1.00 0.00 H new ATOM 0 HA THR A 5 -5.767 8.956 -4.481 1.00 0.00 H new ATOM 0 HB THR A 5 -5.580 7.611 -6.713 1.00 0.00 H new ATOM 0 HG1 THR A 5 -7.129 8.487 -8.275 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.002 7.102 -6.670 1.00 0.00 H new ATOM 0 HG22 THR A 5 -7.287 7.155 -5.041 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.263 8.522 -5.630 1.00 0.00 H new ATOM 85 N LEU A 6 -3.446 8.213 -5.471 1.00 0.00 N ATOM 86 CA LEU A 6 -2.009 8.090 -5.685 1.00 0.00 C ATOM 87 C LEU A 6 -1.647 6.679 -6.143 1.00 0.00 C ATOM 88 O LEU A 6 -1.386 5.798 -5.325 1.00 0.00 O ATOM 89 CB LEU A 6 -1.249 8.435 -4.401 1.00 0.00 C ATOM 90 CG LEU A 6 -0.169 9.507 -4.555 1.00 0.00 C ATOM 91 CD1 LEU A 6 -0.787 10.896 -4.514 1.00 0.00 C ATOM 92 CD2 LEU A 6 0.885 9.358 -3.468 1.00 0.00 C ATOM 0 H LEU A 6 -3.887 7.380 -5.082 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.721 8.792 -6.468 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.966 8.769 -3.651 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.785 7.527 -4.016 1.00 0.00 H new ATOM 0 HG LEU A 6 0.314 9.375 -5.523 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.004 11.646 -4.625 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.506 10.999 -5.327 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.295 11.040 -3.560 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.646 10.128 -3.591 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.416 9.465 -2.490 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.348 8.374 -3.543 1.00 0.00 H new ATOM 104 N LYS A 7 -1.634 6.473 -7.457 1.00 0.00 N ATOM 105 CA LYS A 7 -1.306 5.170 -8.024 1.00 0.00 C ATOM 106 C LYS A 7 0.024 5.221 -8.770 1.00 0.00 C ATOM 107 O LYS A 7 0.439 6.276 -9.248 1.00 0.00 O ATOM 108 CB LYS A 7 -2.418 4.708 -8.969 1.00 0.00 C ATOM 109 CG LYS A 7 -3.730 4.407 -8.261 1.00 0.00 C ATOM 110 CD LYS A 7 -4.919 4.956 -9.034 1.00 0.00 C ATOM 111 CE LYS A 7 -5.145 4.190 -10.327 1.00 0.00 C ATOM 112 NZ LYS A 7 -6.567 4.245 -10.764 1.00 0.00 N ATOM 0 H LYS A 7 -1.847 7.192 -8.148 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.215 4.457 -7.205 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.589 5.479 -9.721 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.086 3.814 -9.498 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.840 3.329 -8.139 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.713 4.841 -7.261 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.814 4.899 -8.415 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.753 6.010 -9.258 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.509 4.603 -11.110 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.847 3.150 -10.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.679 3.711 -11.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.173 3.828 -10.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.844 5.235 -10.920 1.00 0.00 H new ATOM 126 N GLY A 8 0.688 4.072 -8.864 1.00 0.00 N ATOM 127 CA GLY A 8 1.965 4.006 -9.553 1.00 0.00 C ATOM 128 C GLY A 8 2.408 2.580 -9.818 1.00 0.00 C ATOM 129 O GLY A 8 1.875 1.638 -9.232 1.00 0.00 O ATOM 0 H GLY A 8 0.365 3.186 -8.476 1.00 0.00 H new ATOM 0 HA2 GLY A 8 1.892 4.542 -10.499 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.723 4.514 -8.956 1.00 0.00 H new ATOM 133 N ILE A 9 3.388 2.421 -10.703 1.00 0.00 N ATOM 134 CA ILE A 9 3.902 1.099 -11.042 1.00 0.00 C ATOM 135 C ILE A 9 5.361 0.951 -10.619 1.00 0.00 C ATOM 136 O ILE A 9 6.250 1.590 -11.181 1.00 0.00 O ATOM 137 CB ILE A 9 3.782 0.820 -12.553 1.00 0.00 C ATOM 138 CG1 ILE A 9 2.351 1.078 -13.030 1.00 0.00 C ATOM 139 CG2 ILE A 9 4.198 -0.610 -12.863 1.00 0.00 C ATOM 140 CD1 ILE A 9 2.022 2.547 -13.191 1.00 0.00 C ATOM 0 H ILE A 9 3.841 3.190 -11.197 1.00 0.00 H new ATOM 0 HA ILE A 9 3.296 0.374 -10.499 1.00 0.00 H new ATOM 0 HB ILE A 9 4.451 1.496 -13.086 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.198 0.573 -13.984 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.654 0.634 -12.319 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.108 -0.791 -13.934 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.232 -0.763 -12.555 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.552 -1.302 -12.322 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.992 2.654 -13.531 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.142 3.054 -12.234 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.695 2.992 -13.924 1.00 0.00 H new ATOM 152 N PHE A 10 5.596 0.103 -9.623 1.00 0.00 N ATOM 153 CA PHE A 10 6.943 -0.136 -9.116 1.00 0.00 C ATOM 154 C PHE A 10 7.426 -1.533 -9.497 1.00 0.00 C ATOM 155 O PHE A 10 6.918 -2.534 -8.989 1.00 0.00 O ATOM 156 CB PHE A 10 6.967 0.023 -7.592 1.00 0.00 C ATOM 157 CG PHE A 10 7.225 1.430 -7.122 1.00 0.00 C ATOM 158 CD1 PHE A 10 6.851 2.521 -7.893 1.00 0.00 C ATOM 159 CD2 PHE A 10 7.839 1.659 -5.902 1.00 0.00 C ATOM 160 CE1 PHE A 10 7.087 3.811 -7.453 1.00 0.00 C ATOM 161 CE2 PHE A 10 8.078 2.945 -5.458 1.00 0.00 C ATOM 162 CZ PHE A 10 7.702 4.022 -6.233 1.00 0.00 C ATOM 0 H PHE A 10 4.868 -0.432 -9.149 1.00 0.00 H new ATOM 0 HA PHE A 10 7.612 0.597 -9.566 1.00 0.00 H new ATOM 0 HB2 PHE A 10 6.012 -0.314 -7.188 1.00 0.00 H new ATOM 0 HB3 PHE A 10 7.736 -0.632 -7.182 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.370 2.361 -8.847 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.135 0.820 -5.289 1.00 0.00 H new ATOM 0 HE1 PHE A 10 6.791 4.652 -8.062 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.559 3.107 -4.505 1.00 0.00 H new ATOM 0 HZ PHE A 10 7.888 5.028 -5.888 1.00 0.00 H new ATOM 172 N THR A 11 8.415 -1.598 -10.384 1.00 0.00 N ATOM 173 CA THR A 11 8.969 -2.878 -10.821 1.00 0.00 C ATOM 174 C THR A 11 9.887 -3.453 -9.747 1.00 0.00 C ATOM 175 O THR A 11 10.721 -2.741 -9.192 1.00 0.00 O ATOM 176 CB THR A 11 9.739 -2.707 -12.132 1.00 0.00 C ATOM 177 OG1 THR A 11 10.273 -1.399 -12.235 1.00 0.00 O ATOM 178 CG2 THR A 11 8.891 -2.956 -13.361 1.00 0.00 C ATOM 0 H THR A 11 8.849 -0.781 -10.814 1.00 0.00 H new ATOM 0 HA THR A 11 8.145 -3.571 -10.987 1.00 0.00 H new ATOM 0 HB THR A 11 10.532 -3.454 -12.100 1.00 0.00 H new ATOM 0 HG1 THR A 11 10.763 -1.311 -13.079 1.00 0.00 H new ATOM 0 HG21 THR A 11 9.498 -2.818 -14.256 1.00 0.00 H new ATOM 0 HG22 THR A 11 8.506 -3.976 -13.337 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.057 -2.254 -13.376 1.00 0.00 H new ATOM 186 N LEU A 12 9.725 -4.743 -9.451 1.00 0.00 N ATOM 187 CA LEU A 12 10.538 -5.407 -8.430 1.00 0.00 C ATOM 188 C LEU A 12 12.017 -5.048 -8.568 1.00 0.00 C ATOM 189 O LEU A 12 12.745 -4.992 -7.577 1.00 0.00 O ATOM 190 CB LEU A 12 10.360 -6.925 -8.507 1.00 0.00 C ATOM 191 CG LEU A 12 9.376 -7.517 -7.496 1.00 0.00 C ATOM 192 CD1 LEU A 12 9.735 -7.085 -6.079 1.00 0.00 C ATOM 193 CD2 LEU A 12 7.952 -7.108 -7.839 1.00 0.00 C ATOM 0 H LEU A 12 9.040 -5.349 -9.903 1.00 0.00 H new ATOM 0 HA LEU A 12 10.194 -5.055 -7.458 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.025 -7.185 -9.511 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.332 -7.397 -8.363 1.00 0.00 H new ATOM 0 HG LEU A 12 9.443 -8.604 -7.546 1.00 0.00 H new ATOM 0 HD11 LEU A 12 9.023 -7.517 -5.376 1.00 0.00 H new ATOM 0 HD12 LEU A 12 10.740 -7.431 -5.837 1.00 0.00 H new ATOM 0 HD13 LEU A 12 9.699 -5.998 -6.010 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.265 -7.537 -7.110 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.871 -6.021 -7.818 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.699 -7.472 -8.835 1.00 0.00 H new ATOM 205 N LYS A 13 12.456 -4.805 -9.799 1.00 0.00 N ATOM 206 CA LYS A 13 13.848 -4.451 -10.053 1.00 0.00 C ATOM 207 C LYS A 13 14.086 -2.972 -9.774 1.00 0.00 C ATOM 208 O LYS A 13 14.804 -2.615 -8.839 1.00 0.00 O ATOM 209 CB LYS A 13 14.229 -4.785 -11.498 1.00 0.00 C ATOM 210 CG LYS A 13 13.926 -6.224 -11.896 1.00 0.00 C ATOM 211 CD LYS A 13 14.315 -7.207 -10.802 1.00 0.00 C ATOM 212 CE LYS A 13 13.114 -7.608 -9.960 1.00 0.00 C ATOM 213 NZ LYS A 13 12.840 -9.068 -10.042 1.00 0.00 N ATOM 0 H LYS A 13 11.871 -4.846 -10.633 1.00 0.00 H new ATOM 0 HA LYS A 13 14.477 -5.035 -9.381 1.00 0.00 H new ATOM 0 HB2 LYS A 13 13.696 -4.112 -12.169 1.00 0.00 H new ATOM 0 HB3 LYS A 13 15.294 -4.596 -11.636 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.863 -6.325 -12.114 1.00 0.00 H new ATOM 0 HG3 LYS A 13 14.463 -6.469 -12.812 1.00 0.00 H new ATOM 0 HD2 LYS A 13 14.759 -8.096 -11.251 1.00 0.00 H new ATOM 0 HD3 LYS A 13 15.076 -6.759 -10.163 1.00 0.00 H new ATOM 0 HE2 LYS A 13 13.290 -7.330 -8.921 1.00 0.00 H new ATOM 0 HE3 LYS A 13 12.236 -7.055 -10.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 11.813 -9.230 -10.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 13.233 -9.446 -10.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 13.283 -9.550 -9.234 1.00 0.00 H new ATOM 227 N ASP A 14 13.472 -2.116 -10.582 1.00 0.00 N ATOM 228 CA ASP A 14 13.610 -0.676 -10.413 1.00 0.00 C ATOM 229 C ASP A 14 12.450 -0.128 -9.589 1.00 0.00 C ATOM 230 O ASP A 14 11.814 0.858 -9.964 1.00 0.00 O ATOM 231 CB ASP A 14 13.660 0.016 -11.776 1.00 0.00 C ATOM 232 CG ASP A 14 14.687 1.131 -11.821 1.00 0.00 C ATOM 233 OD1 ASP A 14 14.377 2.244 -11.347 1.00 0.00 O ATOM 234 OD2 ASP A 14 15.801 0.891 -12.332 1.00 0.00 O ATOM 0 H ASP A 14 12.874 -2.395 -11.360 1.00 0.00 H new ATOM 0 HA ASP A 14 14.542 -0.476 -9.884 1.00 0.00 H new ATOM 0 HB2 ASP A 14 13.893 -0.720 -12.546 1.00 0.00 H new ATOM 0 HB3 ASP A 14 12.676 0.422 -12.010 1.00 0.00 H new ATOM 239 N LEU A 15 12.174 -0.785 -8.468 1.00 0.00 N ATOM 240 CA LEU A 15 11.084 -0.382 -7.586 1.00 0.00 C ATOM 241 C LEU A 15 11.153 1.108 -7.253 1.00 0.00 C ATOM 242 O LEU A 15 10.146 1.812 -7.333 1.00 0.00 O ATOM 243 CB LEU A 15 11.104 -1.206 -6.292 1.00 0.00 C ATOM 244 CG LEU A 15 10.594 -2.643 -6.423 1.00 0.00 C ATOM 245 CD1 LEU A 15 10.715 -3.374 -5.096 1.00 0.00 C ATOM 246 CD2 LEU A 15 9.153 -2.659 -6.909 1.00 0.00 C ATOM 0 H LEU A 15 12.692 -1.603 -8.147 1.00 0.00 H new ATOM 0 HA LEU A 15 10.150 -0.569 -8.116 1.00 0.00 H new ATOM 0 HB2 LEU A 15 12.126 -1.234 -5.914 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.502 -0.691 -5.544 1.00 0.00 H new ATOM 0 HG LEU A 15 11.210 -3.159 -7.160 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.348 -4.394 -5.208 1.00 0.00 H new ATOM 0 HD12 LEU A 15 11.760 -3.396 -4.787 1.00 0.00 H new ATOM 0 HD13 LEU A 15 10.124 -2.856 -4.340 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.810 -3.690 -6.995 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.523 -2.125 -6.197 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.092 -2.173 -7.883 1.00 0.00 H new ATOM 258 N PRO A 16 12.338 1.615 -6.869 1.00 0.00 N ATOM 259 CA PRO A 16 12.520 3.015 -6.518 1.00 0.00 C ATOM 260 C PRO A 16 12.883 3.877 -7.719 1.00 0.00 C ATOM 261 O PRO A 16 13.820 4.677 -7.657 1.00 0.00 O ATOM 262 CB PRO A 16 13.685 2.977 -5.518 1.00 0.00 C ATOM 263 CG PRO A 16 14.247 1.584 -5.568 1.00 0.00 C ATOM 264 CD PRO A 16 13.592 0.881 -6.727 1.00 0.00 C ATOM 0 HA PRO A 16 11.606 3.456 -6.121 1.00 0.00 H new ATOM 0 HB2 PRO A 16 14.446 3.712 -5.781 1.00 0.00 H new ATOM 0 HB3 PRO A 16 13.341 3.220 -4.513 1.00 0.00 H new ATOM 0 HG2 PRO A 16 15.329 1.610 -5.696 1.00 0.00 H new ATOM 0 HG3 PRO A 16 14.049 1.055 -4.636 1.00 0.00 H new ATOM 0 HD2 PRO A 16 14.199 0.935 -7.631 1.00 0.00 H new ATOM 0 HD3 PRO A 16 13.423 -0.176 -6.519 1.00 0.00 H new ATOM 272 N GLU A 17 12.124 3.699 -8.803 1.00 0.00 N ATOM 273 CA GLU A 17 12.324 4.440 -10.057 1.00 0.00 C ATOM 274 C GLU A 17 13.190 5.681 -9.860 1.00 0.00 C ATOM 275 O GLU A 17 14.195 5.866 -10.546 1.00 0.00 O ATOM 276 CB GLU A 17 10.973 4.844 -10.651 1.00 0.00 C ATOM 277 CG GLU A 17 11.085 5.570 -11.983 1.00 0.00 C ATOM 278 CD GLU A 17 10.319 6.879 -12.003 1.00 0.00 C ATOM 279 OE1 GLU A 17 9.081 6.845 -11.840 1.00 0.00 O ATOM 280 OE2 GLU A 17 10.958 7.938 -12.181 1.00 0.00 O ATOM 0 H GLU A 17 11.350 3.035 -8.839 1.00 0.00 H new ATOM 0 HA GLU A 17 12.847 3.776 -10.745 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.363 3.951 -10.784 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.450 5.485 -9.941 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.136 5.765 -12.198 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.712 4.923 -12.777 1.00 0.00 H new ATOM 287 N GLU A 18 12.799 6.518 -8.909 1.00 0.00 N ATOM 288 CA GLU A 18 13.545 7.731 -8.611 1.00 0.00 C ATOM 289 C GLU A 18 14.786 7.412 -7.794 1.00 0.00 C ATOM 290 O GLU A 18 15.911 7.541 -8.275 1.00 0.00 O ATOM 291 CB GLU A 18 12.663 8.729 -7.857 1.00 0.00 C ATOM 292 CG GLU A 18 11.761 9.549 -8.765 1.00 0.00 C ATOM 293 CD GLU A 18 12.283 10.954 -8.991 1.00 0.00 C ATOM 294 OE1 GLU A 18 13.122 11.137 -9.897 1.00 0.00 O ATOM 295 OE2 GLU A 18 11.851 11.872 -8.262 1.00 0.00 O ATOM 0 H GLU A 18 11.970 6.379 -8.331 1.00 0.00 H new ATOM 0 HA GLU A 18 13.856 8.179 -9.555 1.00 0.00 H new ATOM 0 HB2 GLU A 18 12.047 8.187 -7.140 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.299 9.404 -7.285 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.662 9.043 -9.726 1.00 0.00 H new ATOM 0 HG3 GLU A 18 10.764 9.602 -8.328 1.00 0.00 H new ATOM 302 N PHE A 19 14.560 6.989 -6.561 1.00 0.00 N ATOM 303 CA PHE A 19 15.642 6.639 -5.638 1.00 0.00 C ATOM 304 C PHE A 19 15.100 5.924 -4.399 1.00 0.00 C ATOM 305 O PHE A 19 15.435 4.769 -4.136 1.00 0.00 O ATOM 306 CB PHE A 19 16.400 7.896 -5.186 1.00 0.00 C ATOM 307 CG PHE A 19 17.042 8.670 -6.301 1.00 0.00 C ATOM 308 CD1 PHE A 19 18.263 8.275 -6.824 1.00 0.00 C ATOM 309 CD2 PHE A 19 16.423 9.793 -6.826 1.00 0.00 C ATOM 310 CE1 PHE A 19 18.855 8.987 -7.851 1.00 0.00 C ATOM 311 CE2 PHE A 19 17.010 10.509 -7.852 1.00 0.00 C ATOM 312 CZ PHE A 19 18.228 10.106 -8.365 1.00 0.00 C ATOM 0 H PHE A 19 13.626 6.877 -6.167 1.00 0.00 H new ATOM 0 HA PHE A 19 16.319 5.973 -6.173 1.00 0.00 H new ATOM 0 HB2 PHE A 19 15.708 8.551 -4.657 1.00 0.00 H new ATOM 0 HB3 PHE A 19 17.171 7.603 -4.473 1.00 0.00 H new ATOM 0 HD1 PHE A 19 18.758 7.402 -6.425 1.00 0.00 H new ATOM 0 HD2 PHE A 19 15.471 10.112 -6.429 1.00 0.00 H new ATOM 0 HE1 PHE A 19 19.806 8.669 -8.251 1.00 0.00 H new ATOM 0 HE2 PHE A 19 16.517 11.383 -8.252 1.00 0.00 H new ATOM 0 HZ PHE A 19 18.689 10.664 -9.166 1.00 0.00 H new ATOM 322 N ARG A 20 14.277 6.640 -3.634 1.00 0.00 N ATOM 323 CA ARG A 20 13.686 6.115 -2.399 1.00 0.00 C ATOM 324 C ARG A 20 13.238 4.658 -2.538 1.00 0.00 C ATOM 325 O ARG A 20 12.171 4.380 -3.085 1.00 0.00 O ATOM 326 CB ARG A 20 12.495 6.980 -1.985 1.00 0.00 C ATOM 327 CG ARG A 20 12.862 8.430 -1.713 1.00 0.00 C ATOM 328 CD ARG A 20 12.873 8.734 -0.224 1.00 0.00 C ATOM 329 NE ARG A 20 13.567 7.702 0.541 1.00 0.00 N ATOM 330 CZ ARG A 20 14.887 7.528 0.527 1.00 0.00 C ATOM 331 NH1 ARG A 20 15.659 8.318 -0.209 1.00 0.00 N ATOM 332 NH2 ARG A 20 15.437 6.562 1.249 1.00 0.00 N ATOM 0 H ARG A 20 14.000 7.598 -3.850 1.00 0.00 H new ATOM 0 HA ARG A 20 14.460 6.148 -1.632 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.741 6.946 -2.771 1.00 0.00 H new ATOM 0 HB3 ARG A 20 12.041 6.555 -1.090 1.00 0.00 H new ATOM 0 HG2 ARG A 20 13.844 8.643 -2.136 1.00 0.00 H new ATOM 0 HG3 ARG A 20 12.150 9.086 -2.214 1.00 0.00 H new ATOM 0 HD2 ARG A 20 13.355 9.697 -0.054 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.848 8.823 0.135 1.00 0.00 H new ATOM 0 HE ARG A 20 13.007 7.077 1.121 1.00 0.00 H new ATOM 0 HH11 ARG A 20 15.242 9.063 -0.767 1.00 0.00 H new ATOM 0 HH12 ARG A 20 16.670 8.181 -0.216 1.00 0.00 H new ATOM 0 HH21 ARG A 20 14.849 5.951 1.816 1.00 0.00 H new ATOM 0 HH22 ARG A 20 16.448 6.429 1.238 1.00 0.00 H new ATOM 346 N PRO A 21 14.048 3.709 -2.031 1.00 0.00 N ATOM 347 CA PRO A 21 13.734 2.283 -2.088 1.00 0.00 C ATOM 348 C PRO A 21 12.884 1.825 -0.904 1.00 0.00 C ATOM 349 O PRO A 21 13.400 1.588 0.187 1.00 0.00 O ATOM 350 CB PRO A 21 15.117 1.645 -2.032 1.00 0.00 C ATOM 351 CG PRO A 21 15.920 2.566 -1.174 1.00 0.00 C ATOM 352 CD PRO A 21 15.337 3.949 -1.353 1.00 0.00 C ATOM 0 HA PRO A 21 13.149 2.017 -2.968 1.00 0.00 H new ATOM 0 HB2 PRO A 21 15.074 0.642 -1.606 1.00 0.00 H new ATOM 0 HB3 PRO A 21 15.551 1.551 -3.027 1.00 0.00 H new ATOM 0 HG2 PRO A 21 15.874 2.259 -0.129 1.00 0.00 H new ATOM 0 HG3 PRO A 21 16.970 2.548 -1.465 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.197 4.450 -0.395 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.991 4.583 -1.952 1.00 0.00 H new ATOM 360 N PHE A 22 11.579 1.708 -1.128 1.00 0.00 N ATOM 361 CA PHE A 22 10.654 1.284 -0.081 1.00 0.00 C ATOM 362 C PHE A 22 10.298 -0.192 -0.227 1.00 0.00 C ATOM 363 O PHE A 22 10.735 -1.028 0.564 1.00 0.00 O ATOM 364 CB PHE A 22 9.381 2.134 -0.127 1.00 0.00 C ATOM 365 CG PHE A 22 9.236 3.070 1.039 1.00 0.00 C ATOM 366 CD1 PHE A 22 9.872 4.300 1.039 1.00 0.00 C ATOM 367 CD2 PHE A 22 8.463 2.717 2.132 1.00 0.00 C ATOM 368 CE1 PHE A 22 9.738 5.164 2.110 1.00 0.00 C ATOM 369 CE2 PHE A 22 8.325 3.576 3.206 1.00 0.00 C ATOM 370 CZ PHE A 22 8.964 4.800 3.195 1.00 0.00 C ATOM 0 H PHE A 22 11.137 1.901 -2.027 1.00 0.00 H new ATOM 0 HA PHE A 22 11.146 1.424 0.881 1.00 0.00 H new ATOM 0 HB2 PHE A 22 9.376 2.714 -1.050 1.00 0.00 H new ATOM 0 HB3 PHE A 22 8.515 1.473 -0.161 1.00 0.00 H new ATOM 0 HD1 PHE A 22 10.479 4.587 0.193 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.962 1.760 2.146 1.00 0.00 H new ATOM 0 HE1 PHE A 22 10.237 6.122 2.098 1.00 0.00 H new ATOM 0 HE2 PHE A 22 7.718 3.290 4.053 1.00 0.00 H new ATOM 0 HZ PHE A 22 8.859 5.472 4.034 1.00 0.00 H new ATOM 380 N VAL A 23 9.499 -0.503 -1.242 1.00 0.00 N ATOM 381 CA VAL A 23 9.078 -1.879 -1.491 1.00 0.00 C ATOM 382 C VAL A 23 10.254 -2.771 -1.884 1.00 0.00 C ATOM 383 O VAL A 23 10.102 -3.987 -1.995 1.00 0.00 O ATOM 384 CB VAL A 23 7.998 -1.954 -2.587 1.00 0.00 C ATOM 385 CG1 VAL A 23 6.648 -1.524 -2.035 1.00 0.00 C ATOM 386 CG2 VAL A 23 8.386 -1.104 -3.786 1.00 0.00 C ATOM 0 H VAL A 23 9.130 0.178 -1.906 1.00 0.00 H new ATOM 0 HA VAL A 23 8.658 -2.243 -0.553 1.00 0.00 H new ATOM 0 HB VAL A 23 7.918 -2.989 -2.919 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.897 -1.583 -2.823 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.365 -2.182 -1.213 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.713 -0.498 -1.672 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.609 -1.172 -4.547 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.499 -0.066 -3.475 1.00 0.00 H new ATOM 0 HG23 VAL A 23 9.329 -1.464 -4.197 1.00 0.00 H new ATOM 396 N ASP A 24 11.430 -2.173 -2.085 1.00 0.00 N ATOM 397 CA ASP A 24 12.621 -2.936 -2.449 1.00 0.00 C ATOM 398 C ASP A 24 12.785 -4.143 -1.532 1.00 0.00 C ATOM 399 O ASP A 24 13.337 -5.170 -1.927 1.00 0.00 O ATOM 400 CB ASP A 24 13.865 -2.048 -2.372 1.00 0.00 C ATOM 401 CG ASP A 24 14.150 -1.569 -0.961 1.00 0.00 C ATOM 402 OD1 ASP A 24 13.201 -1.124 -0.283 1.00 0.00 O ATOM 403 OD2 ASP A 24 15.322 -1.638 -0.536 1.00 0.00 O ATOM 0 H ASP A 24 11.581 -1.168 -2.002 1.00 0.00 H new ATOM 0 HA ASP A 24 12.502 -3.290 -3.473 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.726 -2.602 -2.745 1.00 0.00 H new ATOM 0 HB3 ASP A 24 13.733 -1.186 -3.025 1.00 0.00 H new ATOM 408 N TYR A 25 12.293 -4.007 -0.305 1.00 0.00 N ATOM 409 CA TYR A 25 12.373 -5.079 0.677 1.00 0.00 C ATOM 410 C TYR A 25 11.583 -6.297 0.209 1.00 0.00 C ATOM 411 O TYR A 25 11.925 -7.431 0.536 1.00 0.00 O ATOM 412 CB TYR A 25 11.860 -4.581 2.035 1.00 0.00 C ATOM 413 CG TYR A 25 10.368 -4.758 2.243 1.00 0.00 C ATOM 414 CD1 TYR A 25 9.842 -5.984 2.635 1.00 0.00 C ATOM 415 CD2 TYR A 25 9.490 -3.699 2.050 1.00 0.00 C ATOM 416 CE1 TYR A 25 8.483 -6.148 2.828 1.00 0.00 C ATOM 417 CE2 TYR A 25 8.130 -3.857 2.241 1.00 0.00 C ATOM 418 CZ TYR A 25 7.631 -5.082 2.630 1.00 0.00 C ATOM 419 OH TYR A 25 6.278 -5.241 2.823 1.00 0.00 O ATOM 0 H TYR A 25 11.833 -3.161 0.033 1.00 0.00 H new ATOM 0 HA TYR A 25 13.415 -5.380 0.788 1.00 0.00 H new ATOM 0 HB2 TYR A 25 12.390 -5.110 2.827 1.00 0.00 H new ATOM 0 HB3 TYR A 25 12.106 -3.524 2.138 1.00 0.00 H new ATOM 0 HD1 TYR A 25 10.506 -6.822 2.791 1.00 0.00 H new ATOM 0 HD2 TYR A 25 9.876 -2.737 1.746 1.00 0.00 H new ATOM 0 HE1 TYR A 25 8.090 -7.107 3.133 1.00 0.00 H new ATOM 0 HE2 TYR A 25 7.461 -3.024 2.086 1.00 0.00 H new ATOM 0 HH TYR A 25 5.820 -4.394 2.643 1.00 0.00 H new ATOM 429 N LYS A 26 10.528 -6.054 -0.560 1.00 0.00 N ATOM 430 CA LYS A 26 9.698 -7.133 -1.077 1.00 0.00 C ATOM 431 C LYS A 26 10.460 -7.937 -2.123 1.00 0.00 C ATOM 432 O LYS A 26 10.250 -9.142 -2.269 1.00 0.00 O ATOM 433 CB LYS A 26 8.404 -6.568 -1.675 1.00 0.00 C ATOM 434 CG LYS A 26 7.569 -7.595 -2.425 1.00 0.00 C ATOM 435 CD LYS A 26 7.188 -8.768 -1.535 1.00 0.00 C ATOM 436 CE LYS A 26 6.948 -10.031 -2.348 1.00 0.00 C ATOM 437 NZ LYS A 26 5.544 -10.513 -2.225 1.00 0.00 N ATOM 0 H LYS A 26 10.228 -5.120 -0.839 1.00 0.00 H new ATOM 0 HA LYS A 26 9.440 -7.798 -0.253 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.802 -6.141 -0.873 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.655 -5.753 -2.354 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.666 -7.120 -2.808 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.128 -7.959 -3.287 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.981 -8.947 -0.808 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.289 -8.521 -0.971 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.174 -9.836 -3.396 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.631 -10.813 -2.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.384 -11.292 -2.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.377 -10.851 -1.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.889 -9.733 -2.438 1.00 0.00 H new ATOM 451 N ALA A 27 11.356 -7.270 -2.843 1.00 0.00 N ATOM 452 CA ALA A 27 12.155 -7.935 -3.863 1.00 0.00 C ATOM 453 C ALA A 27 13.275 -8.753 -3.228 1.00 0.00 C ATOM 454 O ALA A 27 13.900 -9.578 -3.892 1.00 0.00 O ATOM 455 CB ALA A 27 12.726 -6.923 -4.846 1.00 0.00 C ATOM 0 H ALA A 27 11.546 -6.273 -2.739 1.00 0.00 H new ATOM 0 HA ALA A 27 11.503 -8.616 -4.410 1.00 0.00 H new ATOM 0 HB1 ALA A 27 13.319 -7.442 -5.599 1.00 0.00 H new ATOM 0 HB2 ALA A 27 11.910 -6.388 -5.332 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.358 -6.214 -4.312 1.00 0.00 H new ATOM 461 N GLY A 28 13.529 -8.524 -1.939 1.00 0.00 N ATOM 462 CA GLY A 28 14.577 -9.259 -1.255 1.00 0.00 C ATOM 463 C GLY A 28 14.205 -9.624 0.172 1.00 0.00 C ATOM 464 O GLY A 28 15.081 -9.787 1.022 1.00 0.00 O ATOM 0 H GLY A 28 13.030 -7.847 -1.362 1.00 0.00 H new ATOM 0 HA2 GLY A 28 14.799 -10.169 -1.812 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.488 -8.661 -1.246 1.00 0.00 H new ATOM 468 N LEU A 29 12.908 -9.752 0.440 1.00 0.00 N ATOM 469 CA LEU A 29 12.437 -10.099 1.779 1.00 0.00 C ATOM 470 C LEU A 29 12.854 -11.517 2.168 1.00 0.00 C ATOM 471 O LEU A 29 12.781 -11.896 3.337 1.00 0.00 O ATOM 472 CB LEU A 29 10.913 -9.945 1.869 1.00 0.00 C ATOM 473 CG LEU A 29 10.095 -11.154 1.401 1.00 0.00 C ATOM 474 CD1 LEU A 29 8.607 -10.890 1.575 1.00 0.00 C ATOM 475 CD2 LEU A 29 10.414 -11.484 -0.049 1.00 0.00 C ATOM 0 H LEU A 29 12.167 -9.621 -0.249 1.00 0.00 H new ATOM 0 HA LEU A 29 12.902 -9.410 2.484 1.00 0.00 H new ATOM 0 HB2 LEU A 29 10.648 -9.729 2.904 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.618 -9.079 1.277 1.00 0.00 H new ATOM 0 HG LEU A 29 10.365 -12.012 2.016 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.041 -11.759 1.238 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.391 -10.703 2.627 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.321 -10.019 0.985 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.824 -12.345 -0.364 1.00 0.00 H new ATOM 0 HD22 LEU A 29 10.172 -10.628 -0.679 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.475 -11.716 -0.144 1.00 0.00 H new ATOM 487 N GLU A 30 13.290 -12.294 1.185 1.00 0.00 N ATOM 488 CA GLU A 30 13.717 -13.668 1.426 1.00 0.00 C ATOM 489 C GLU A 30 14.364 -14.258 0.176 1.00 0.00 C ATOM 490 O GLU A 30 13.826 -15.180 -0.437 1.00 0.00 O ATOM 491 CB GLU A 30 12.524 -14.523 1.858 1.00 0.00 C ATOM 492 CG GLU A 30 12.876 -15.981 2.109 1.00 0.00 C ATOM 493 CD GLU A 30 12.015 -16.936 1.305 1.00 0.00 C ATOM 494 OE1 GLU A 30 12.074 -16.884 0.059 1.00 0.00 O ATOM 495 OE2 GLU A 30 11.281 -17.737 1.922 1.00 0.00 O ATOM 0 H GLU A 30 13.358 -11.997 0.212 1.00 0.00 H new ATOM 0 HA GLU A 30 14.457 -13.664 2.227 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.095 -14.100 2.767 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.754 -14.472 1.088 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.924 -16.146 1.860 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.762 -16.201 3.170 1.00 0.00 H new ATOM 502 N LYS A 31 15.519 -13.711 -0.199 1.00 0.00 N ATOM 503 CA LYS A 31 16.248 -14.165 -1.380 1.00 0.00 C ATOM 504 C LYS A 31 15.335 -14.199 -2.599 1.00 0.00 C ATOM 505 O LYS A 31 15.430 -15.088 -3.445 1.00 0.00 O ATOM 506 CB LYS A 31 16.888 -15.541 -1.132 1.00 0.00 C ATOM 507 CG LYS A 31 15.933 -16.723 -1.268 1.00 0.00 C ATOM 508 CD LYS A 31 16.522 -17.815 -2.146 1.00 0.00 C ATOM 509 CE LYS A 31 15.809 -19.142 -1.939 1.00 0.00 C ATOM 510 NZ LYS A 31 14.519 -19.199 -2.677 1.00 0.00 N ATOM 0 H LYS A 31 15.972 -12.947 0.303 1.00 0.00 H new ATOM 0 HA LYS A 31 17.049 -13.453 -1.579 1.00 0.00 H new ATOM 0 HB2 LYS A 31 17.712 -15.675 -1.833 1.00 0.00 H new ATOM 0 HB3 LYS A 31 17.317 -15.552 -0.130 1.00 0.00 H new ATOM 0 HG2 LYS A 31 15.711 -17.128 -0.281 1.00 0.00 H new ATOM 0 HG3 LYS A 31 14.989 -16.383 -1.693 1.00 0.00 H new ATOM 0 HD2 LYS A 31 16.448 -17.521 -3.193 1.00 0.00 H new ATOM 0 HD3 LYS A 31 17.582 -17.932 -1.921 1.00 0.00 H new ATOM 0 HE2 LYS A 31 16.453 -19.956 -2.271 1.00 0.00 H new ATOM 0 HE3 LYS A 31 15.626 -19.294 -0.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.064 -20.119 -2.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.894 -18.438 -2.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 14.696 -19.080 -3.695 1.00 0.00 H new ATOM 524 N LYS A 32 14.453 -13.214 -2.671 1.00 0.00 N ATOM 525 CA LYS A 32 13.508 -13.105 -3.776 1.00 0.00 C ATOM 526 C LYS A 32 13.993 -12.092 -4.810 1.00 0.00 C ATOM 527 O LYS A 32 13.191 -11.461 -5.497 1.00 0.00 O ATOM 528 CB LYS A 32 12.128 -12.697 -3.252 1.00 0.00 C ATOM 529 CG LYS A 32 11.008 -12.903 -4.259 1.00 0.00 C ATOM 530 CD LYS A 32 9.655 -13.025 -3.573 1.00 0.00 C ATOM 531 CE LYS A 32 8.644 -13.736 -4.458 1.00 0.00 C ATOM 532 NZ LYS A 32 7.265 -13.655 -3.903 1.00 0.00 N ATOM 0 H LYS A 32 14.371 -12.474 -1.974 1.00 0.00 H new ATOM 0 HA LYS A 32 13.434 -14.080 -4.258 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.906 -13.271 -2.352 1.00 0.00 H new ATOM 0 HB3 LYS A 32 12.155 -11.647 -2.961 1.00 0.00 H new ATOM 0 HG2 LYS A 32 10.988 -12.067 -4.958 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.203 -13.803 -4.843 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.769 -13.572 -2.637 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.284 -12.032 -3.319 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.661 -13.295 -5.455 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.930 -14.782 -4.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.606 -14.152 -4.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.243 -14.099 -2.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.981 -12.658 -3.822 1.00 0.00 H new ATOM 546 N LYS A 33 15.310 -11.939 -4.910 1.00 0.00 N ATOM 547 CA LYS A 33 15.901 -11.001 -5.858 1.00 0.00 C ATOM 548 C LYS A 33 15.899 -11.583 -7.269 1.00 0.00 C ATOM 549 O LYS A 33 16.862 -12.225 -7.687 1.00 0.00 O ATOM 550 CB LYS A 33 17.332 -10.653 -5.434 1.00 0.00 C ATOM 551 CG LYS A 33 17.608 -9.157 -5.383 1.00 0.00 C ATOM 552 CD LYS A 33 18.395 -8.777 -4.138 1.00 0.00 C ATOM 553 CE LYS A 33 18.430 -7.270 -3.938 1.00 0.00 C ATOM 554 NZ LYS A 33 17.103 -6.734 -3.527 1.00 0.00 N ATOM 0 H LYS A 33 15.988 -12.452 -4.346 1.00 0.00 H new ATOM 0 HA LYS A 33 15.300 -10.092 -5.860 1.00 0.00 H new ATOM 0 HB2 LYS A 33 17.525 -11.083 -4.451 1.00 0.00 H new ATOM 0 HB3 LYS A 33 18.031 -11.119 -6.129 1.00 0.00 H new ATOM 0 HG2 LYS A 33 18.164 -8.858 -6.271 1.00 0.00 H new ATOM 0 HG3 LYS A 33 16.665 -8.611 -5.399 1.00 0.00 H new ATOM 0 HD2 LYS A 33 17.947 -9.250 -3.265 1.00 0.00 H new ATOM 0 HD3 LYS A 33 19.413 -9.158 -4.220 1.00 0.00 H new ATOM 0 HE2 LYS A 33 19.173 -7.021 -3.180 1.00 0.00 H new ATOM 0 HE3 LYS A 33 18.746 -6.788 -4.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 17.218 -5.768 -3.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 16.466 -6.717 -4.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 16.697 -7.341 -2.787 1.00 0.00 H new ATOM 568 N LEU A 34 14.809 -11.357 -7.996 1.00 0.00 N ATOM 569 CA LEU A 34 14.680 -11.862 -9.357 1.00 0.00 C ATOM 570 C LEU A 34 15.139 -10.822 -10.376 1.00 0.00 C ATOM 571 O LEU A 34 15.656 -9.767 -10.009 1.00 0.00 O ATOM 572 CB LEU A 34 13.229 -12.266 -9.640 1.00 0.00 C ATOM 573 CG LEU A 34 12.552 -13.130 -8.564 1.00 0.00 C ATOM 574 CD1 LEU A 34 13.579 -13.926 -7.768 1.00 0.00 C ATOM 575 CD2 LEU A 34 11.715 -12.263 -7.636 1.00 0.00 C ATOM 0 H LEU A 34 14.003 -10.827 -7.665 1.00 0.00 H new ATOM 0 HA LEU A 34 15.320 -12.739 -9.451 1.00 0.00 H new ATOM 0 HB2 LEU A 34 12.639 -11.359 -9.775 1.00 0.00 H new ATOM 0 HB3 LEU A 34 13.201 -12.808 -10.585 1.00 0.00 H new ATOM 0 HG LEU A 34 11.895 -13.840 -9.067 1.00 0.00 H new ATOM 0 HD11 LEU A 34 13.069 -14.527 -7.015 1.00 0.00 H new ATOM 0 HD12 LEU A 34 14.133 -14.581 -8.441 1.00 0.00 H new ATOM 0 HD13 LEU A 34 14.270 -13.240 -7.278 1.00 0.00 H new ATOM 0 HD21 LEU A 34 11.242 -12.890 -6.880 1.00 0.00 H new ATOM 0 HD22 LEU A 34 12.355 -11.528 -7.149 1.00 0.00 H new ATOM 0 HD23 LEU A 34 10.946 -11.749 -8.213 1.00 0.00 H new ATOM 587 N SER A 35 14.944 -11.128 -11.656 1.00 0.00 N ATOM 588 CA SER A 35 15.337 -10.220 -12.729 1.00 0.00 C ATOM 589 C SER A 35 14.132 -9.444 -13.252 1.00 0.00 C ATOM 590 O SER A 35 13.037 -9.528 -12.694 1.00 0.00 O ATOM 591 CB SER A 35 15.994 -10.998 -13.871 1.00 0.00 C ATOM 592 OG SER A 35 17.407 -10.918 -13.797 1.00 0.00 O ATOM 0 H SER A 35 14.516 -11.997 -11.975 1.00 0.00 H new ATOM 0 HA SER A 35 16.057 -9.509 -12.324 1.00 0.00 H new ATOM 0 HB2 SER A 35 15.683 -12.042 -13.830 1.00 0.00 H new ATOM 0 HB3 SER A 35 15.654 -10.602 -14.828 1.00 0.00 H new ATOM 0 HG SER A 35 17.803 -11.425 -14.537 1.00 0.00 H new ATOM 598 N ASP A 36 14.339 -8.689 -14.327 1.00 0.00 N ATOM 599 CA ASP A 36 13.269 -7.900 -14.927 1.00 0.00 C ATOM 600 C ASP A 36 12.118 -8.797 -15.372 1.00 0.00 C ATOM 601 O ASP A 36 12.099 -9.285 -16.501 1.00 0.00 O ATOM 602 CB ASP A 36 13.801 -7.103 -16.119 1.00 0.00 C ATOM 603 CG ASP A 36 12.745 -6.206 -16.734 1.00 0.00 C ATOM 604 OD1 ASP A 36 11.889 -6.723 -17.481 1.00 0.00 O ATOM 605 OD2 ASP A 36 12.775 -4.985 -16.469 1.00 0.00 O ATOM 0 H ASP A 36 15.239 -8.607 -14.800 1.00 0.00 H new ATOM 0 HA ASP A 36 12.896 -7.206 -14.174 1.00 0.00 H new ATOM 0 HB2 ASP A 36 14.647 -6.496 -15.798 1.00 0.00 H new ATOM 0 HB3 ASP A 36 14.173 -7.793 -16.876 1.00 0.00 H new ATOM 610 N ASP A 37 11.159 -9.008 -14.476 1.00 0.00 N ATOM 611 CA ASP A 37 10.004 -9.846 -14.775 1.00 0.00 C ATOM 612 C ASP A 37 8.867 -9.578 -13.796 1.00 0.00 C ATOM 613 O ASP A 37 7.705 -9.477 -14.189 1.00 0.00 O ATOM 614 CB ASP A 37 10.393 -11.325 -14.729 1.00 0.00 C ATOM 615 CG ASP A 37 9.252 -12.239 -15.134 1.00 0.00 C ATOM 616 OD1 ASP A 37 8.127 -11.734 -15.329 1.00 0.00 O ATOM 617 OD2 ASP A 37 9.485 -13.460 -15.256 1.00 0.00 O ATOM 0 H ASP A 37 11.159 -8.610 -13.537 1.00 0.00 H new ATOM 0 HA ASP A 37 9.660 -9.599 -15.779 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.242 -11.495 -15.391 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.718 -11.581 -13.721 1.00 0.00 H new ATOM 622 N ASP A 38 9.208 -9.463 -12.515 1.00 0.00 N ATOM 623 CA ASP A 38 8.213 -9.208 -11.481 1.00 0.00 C ATOM 624 C ASP A 38 7.888 -7.718 -11.393 1.00 0.00 C ATOM 625 O ASP A 38 8.685 -6.874 -11.803 1.00 0.00 O ATOM 626 CB ASP A 38 8.716 -9.719 -10.129 1.00 0.00 C ATOM 627 CG ASP A 38 7.729 -10.658 -9.463 1.00 0.00 C ATOM 628 OD1 ASP A 38 7.020 -11.386 -10.188 1.00 0.00 O ATOM 629 OD2 ASP A 38 7.667 -10.666 -8.216 1.00 0.00 O ATOM 0 H ASP A 38 10.165 -9.542 -12.170 1.00 0.00 H new ATOM 0 HA ASP A 38 7.300 -9.741 -11.746 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.666 -10.234 -10.269 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.907 -8.871 -9.471 1.00 0.00 H new ATOM 634 N GLU A 39 6.713 -7.404 -10.855 1.00 0.00 N ATOM 635 CA GLU A 39 6.282 -6.017 -10.714 1.00 0.00 C ATOM 636 C GLU A 39 5.377 -5.849 -9.497 1.00 0.00 C ATOM 637 O GLU A 39 4.945 -6.832 -8.893 1.00 0.00 O ATOM 638 CB GLU A 39 5.551 -5.558 -11.977 1.00 0.00 C ATOM 639 CG GLU A 39 6.246 -5.971 -13.265 1.00 0.00 C ATOM 640 CD GLU A 39 5.658 -5.296 -14.489 1.00 0.00 C ATOM 641 OE1 GLU A 39 4.709 -5.855 -15.078 1.00 0.00 O ATOM 642 OE2 GLU A 39 6.146 -4.207 -14.859 1.00 0.00 O ATOM 0 H GLU A 39 6.043 -8.091 -10.510 1.00 0.00 H new ATOM 0 HA GLU A 39 7.169 -5.399 -10.571 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.541 -5.967 -11.971 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.455 -4.472 -11.957 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.306 -5.728 -13.195 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.174 -7.052 -13.381 1.00 0.00 H new ATOM 649 N ILE A 40 5.094 -4.599 -9.141 1.00 0.00 N ATOM 650 CA ILE A 40 4.242 -4.305 -7.994 1.00 0.00 C ATOM 651 C ILE A 40 3.239 -3.204 -8.318 1.00 0.00 C ATOM 652 O ILE A 40 3.431 -2.432 -9.258 1.00 0.00 O ATOM 653 CB ILE A 40 5.073 -3.874 -6.770 1.00 0.00 C ATOM 654 CG1 ILE A 40 6.235 -4.842 -6.547 1.00 0.00 C ATOM 655 CG2 ILE A 40 4.194 -3.800 -5.531 1.00 0.00 C ATOM 656 CD1 ILE A 40 7.087 -4.498 -5.344 1.00 0.00 C ATOM 0 H ILE A 40 5.442 -3.774 -9.630 1.00 0.00 H new ATOM 0 HA ILE A 40 3.707 -5.225 -7.759 1.00 0.00 H new ATOM 0 HB ILE A 40 5.483 -2.882 -6.961 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.839 -5.850 -6.425 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.864 -4.852 -7.437 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.796 -3.494 -4.675 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.398 -3.073 -5.693 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.757 -4.779 -5.336 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.892 -5.227 -5.248 1.00 0.00 H new ATOM 0 HD12 ILE A 40 7.513 -3.503 -5.472 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.471 -4.516 -4.445 1.00 0.00 H new ATOM 668 N ALA A 41 2.171 -3.136 -7.532 1.00 0.00 N ATOM 669 CA ALA A 41 1.138 -2.127 -7.728 1.00 0.00 C ATOM 670 C ALA A 41 0.853 -1.384 -6.427 1.00 0.00 C ATOM 671 O ALA A 41 0.338 -1.962 -5.470 1.00 0.00 O ATOM 672 CB ALA A 41 -0.133 -2.768 -8.265 1.00 0.00 C ATOM 0 H ALA A 41 1.998 -3.769 -6.751 1.00 0.00 H new ATOM 0 HA ALA A 41 1.499 -1.405 -8.460 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.895 -2.002 -8.406 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.078 -3.250 -9.219 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.494 -3.512 -7.555 1.00 0.00 H new ATOM 678 N ILE A 42 1.191 -0.099 -6.399 1.00 0.00 N ATOM 679 CA ILE A 42 0.972 0.722 -5.213 1.00 0.00 C ATOM 680 C ILE A 42 -0.187 1.691 -5.418 1.00 0.00 C ATOM 681 O ILE A 42 -0.296 2.330 -6.465 1.00 0.00 O ATOM 682 CB ILE A 42 2.234 1.524 -4.832 1.00 0.00 C ATOM 683 CG1 ILE A 42 2.866 2.159 -6.079 1.00 0.00 C ATOM 684 CG2 ILE A 42 3.231 0.632 -4.103 1.00 0.00 C ATOM 685 CD1 ILE A 42 3.820 1.247 -6.825 1.00 0.00 C ATOM 0 H ILE A 42 1.617 0.396 -7.183 1.00 0.00 H new ATOM 0 HA ILE A 42 0.731 0.035 -4.401 1.00 0.00 H new ATOM 0 HB ILE A 42 1.945 2.329 -4.156 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.071 2.468 -6.758 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.401 3.061 -5.782 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.115 1.213 -3.841 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.773 0.240 -3.195 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.519 -0.196 -4.750 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.222 1.772 -7.692 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.637 0.957 -6.165 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.287 0.355 -7.156 1.00 0.00 H new ATOM 697 N ILE A 43 -1.048 1.794 -4.413 1.00 0.00 N ATOM 698 CA ILE A 43 -2.200 2.684 -4.480 1.00 0.00 C ATOM 699 C ILE A 43 -2.413 3.404 -3.152 1.00 0.00 C ATOM 700 O ILE A 43 -2.525 2.772 -2.101 1.00 0.00 O ATOM 701 CB ILE A 43 -3.485 1.915 -4.846 1.00 0.00 C ATOM 702 CG1 ILE A 43 -3.238 1.004 -6.049 1.00 0.00 C ATOM 703 CG2 ILE A 43 -4.619 2.888 -5.135 1.00 0.00 C ATOM 704 CD1 ILE A 43 -4.321 -0.033 -6.253 1.00 0.00 C ATOM 0 H ILE A 43 -0.970 1.271 -3.541 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.990 3.416 -5.260 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.772 1.293 -3.998 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.158 1.616 -6.948 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -2.281 0.498 -5.921 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.520 2.331 -5.392 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.809 3.498 -4.252 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.341 3.533 -5.969 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.081 -0.644 -7.123 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.387 -0.669 -5.370 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.277 0.466 -6.413 1.00 0.00 H new ATOM 716 N SER A 44 -2.464 4.731 -3.207 1.00 0.00 N ATOM 717 CA SER A 44 -2.663 5.539 -2.009 1.00 0.00 C ATOM 718 C SER A 44 -3.946 6.357 -2.111 1.00 0.00 C ATOM 719 O SER A 44 -4.087 7.198 -2.999 1.00 0.00 O ATOM 720 CB SER A 44 -1.468 6.468 -1.791 1.00 0.00 C ATOM 721 OG SER A 44 -1.131 6.553 -0.417 1.00 0.00 O ATOM 0 H SER A 44 -2.370 5.270 -4.068 1.00 0.00 H new ATOM 0 HA SER A 44 -2.750 4.865 -1.157 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.611 6.102 -2.357 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.702 7.462 -2.173 1.00 0.00 H new ATOM 0 HG SER A 44 -0.363 7.151 -0.305 1.00 0.00 H new ATOM 727 N ILE A 45 -4.876 6.105 -1.198 1.00 0.00 N ATOM 728 CA ILE A 45 -6.146 6.821 -1.186 1.00 0.00 C ATOM 729 C ILE A 45 -5.996 8.183 -0.518 1.00 0.00 C ATOM 730 O ILE A 45 -6.596 9.167 -0.949 1.00 0.00 O ATOM 731 CB ILE A 45 -7.239 6.019 -0.453 1.00 0.00 C ATOM 732 CG1 ILE A 45 -7.255 4.570 -0.941 1.00 0.00 C ATOM 733 CG2 ILE A 45 -8.600 6.668 -0.657 1.00 0.00 C ATOM 734 CD1 ILE A 45 -7.542 4.433 -2.420 1.00 0.00 C ATOM 0 H ILE A 45 -4.775 5.411 -0.457 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.445 6.956 -2.225 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.014 6.020 0.614 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.291 4.111 -0.722 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -8.007 4.015 -0.380 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.361 6.090 -0.133 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -8.581 7.684 -0.263 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -8.834 6.696 -1.721 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.538 3.378 -2.695 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.519 4.862 -2.642 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.776 4.960 -2.990 1.00 0.00 H new ATOM 746 N LYS A 46 -5.188 8.230 0.536 1.00 0.00 N ATOM 747 CA LYS A 46 -4.952 9.471 1.267 1.00 0.00 C ATOM 748 C LYS A 46 -3.737 9.335 2.181 1.00 0.00 C ATOM 749 O LYS A 46 -3.712 8.488 3.073 1.00 0.00 O ATOM 750 CB LYS A 46 -6.189 9.846 2.089 1.00 0.00 C ATOM 751 CG LYS A 46 -6.993 10.990 1.491 1.00 0.00 C ATOM 752 CD LYS A 46 -8.383 11.072 2.103 1.00 0.00 C ATOM 753 CE LYS A 46 -9.354 11.795 1.185 1.00 0.00 C ATOM 754 NZ LYS A 46 -9.646 11.009 -0.045 1.00 0.00 N ATOM 0 H LYS A 46 -4.685 7.423 0.904 1.00 0.00 H new ATOM 0 HA LYS A 46 -4.755 10.262 0.544 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.832 8.971 2.182 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -5.876 10.120 3.096 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.466 11.930 1.653 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.076 10.853 0.413 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.752 10.067 2.306 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.330 11.591 3.060 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.283 11.990 1.720 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -8.938 12.763 0.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.550 11.323 -0.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -8.885 11.155 -0.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -9.706 9.999 0.195 1.00 0.00 H new ATOM 768 N GLY A 47 -2.731 10.173 1.949 1.00 0.00 N ATOM 769 CA GLY A 47 -1.526 10.128 2.758 1.00 0.00 C ATOM 770 C GLY A 47 -1.807 10.332 4.234 1.00 0.00 C ATOM 771 O GLY A 47 -1.078 9.828 5.086 1.00 0.00 O ATOM 0 H GLY A 47 -2.729 10.882 1.216 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.033 9.167 2.615 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.833 10.896 2.414 1.00 0.00 H new ATOM 775 N THR A 48 -2.866 11.076 4.536 1.00 0.00 N ATOM 776 CA THR A 48 -3.240 11.346 5.918 1.00 0.00 C ATOM 777 C THR A 48 -4.062 10.198 6.497 1.00 0.00 C ATOM 778 O THR A 48 -4.042 9.955 7.704 1.00 0.00 O ATOM 779 CB THR A 48 -4.032 12.652 6.010 1.00 0.00 C ATOM 780 OG1 THR A 48 -3.310 13.718 5.418 1.00 0.00 O ATOM 781 CG2 THR A 48 -4.363 13.054 7.431 1.00 0.00 C ATOM 0 H THR A 48 -3.480 11.502 3.842 1.00 0.00 H new ATOM 0 HA THR A 48 -2.324 11.442 6.501 1.00 0.00 H new ATOM 0 HB THR A 48 -4.964 12.462 5.478 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.833 14.544 5.485 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.925 13.988 7.423 1.00 0.00 H new ATOM 0 HG22 THR A 48 -4.963 12.274 7.900 1.00 0.00 H new ATOM 0 HG23 THR A 48 -3.440 13.190 7.995 1.00 0.00 H new ATOM 789 N GLN A 49 -4.784 9.495 5.630 1.00 0.00 N ATOM 790 CA GLN A 49 -5.611 8.373 6.058 1.00 0.00 C ATOM 791 C GLN A 49 -4.777 7.103 6.193 1.00 0.00 C ATOM 792 O GLN A 49 -4.578 6.594 7.296 1.00 0.00 O ATOM 793 CB GLN A 49 -6.753 8.144 5.065 1.00 0.00 C ATOM 794 CG GLN A 49 -8.026 7.624 5.710 1.00 0.00 C ATOM 795 CD GLN A 49 -8.883 8.733 6.289 1.00 0.00 C ATOM 796 OE1 GLN A 49 -9.189 8.740 7.480 1.00 0.00 O ATOM 797 NE2 GLN A 49 -9.274 9.679 5.444 1.00 0.00 N ATOM 0 H GLN A 49 -4.813 9.683 4.628 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.031 8.616 7.034 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -6.972 9.081 4.554 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.425 7.435 4.305 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.605 7.072 4.969 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -7.767 6.920 6.501 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -8.997 9.633 4.464 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -9.852 10.452 5.775 1.00 0.00 H new ATOM 806 N SER A 50 -4.290 6.596 5.064 1.00 0.00 N ATOM 807 CA SER A 50 -3.476 5.385 5.057 1.00 0.00 C ATOM 808 C SER A 50 -3.032 5.036 3.639 1.00 0.00 C ATOM 809 O SER A 50 -3.566 5.563 2.663 1.00 0.00 O ATOM 810 CB SER A 50 -4.257 4.215 5.661 1.00 0.00 C ATOM 811 OG SER A 50 -3.396 3.332 6.356 1.00 0.00 O ATOM 0 H SER A 50 -4.445 7.005 4.143 1.00 0.00 H new ATOM 0 HA SER A 50 -2.589 5.571 5.662 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.019 4.595 6.341 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.777 3.674 4.870 1.00 0.00 H new ATOM 0 HG SER A 50 -3.919 2.595 6.734 1.00 0.00 H new ATOM 817 N ASN A 51 -2.052 4.145 3.535 1.00 0.00 N ATOM 818 CA ASN A 51 -1.536 3.724 2.237 1.00 0.00 C ATOM 819 C ASN A 51 -1.833 2.249 1.986 1.00 0.00 C ATOM 820 O ASN A 51 -2.243 1.525 2.892 1.00 0.00 O ATOM 821 CB ASN A 51 -0.028 3.973 2.160 1.00 0.00 C ATOM 822 CG ASN A 51 0.707 3.452 3.380 1.00 0.00 C ATOM 823 OD1 ASN A 51 0.389 3.815 4.513 1.00 0.00 O ATOM 824 ND2 ASN A 51 1.698 2.597 3.154 1.00 0.00 N ATOM 0 H ASN A 51 -1.599 3.700 4.333 1.00 0.00 H new ATOM 0 HA ASN A 51 -2.035 4.312 1.467 1.00 0.00 H new ATOM 0 HB2 ASN A 51 0.371 3.494 1.266 1.00 0.00 H new ATOM 0 HB3 ASN A 51 0.156 5.042 2.057 1.00 0.00 H new ATOM 0 HD21 ASN A 51 2.229 2.214 3.936 1.00 0.00 H new ATOM 0 HD22 ASN A 51 1.928 2.323 2.199 1.00 0.00 H new ATOM 831 N HIS A 52 -1.624 1.810 0.748 1.00 0.00 N ATOM 832 CA HIS A 52 -1.870 0.421 0.380 1.00 0.00 C ATOM 833 C HIS A 52 -0.752 -0.115 -0.510 1.00 0.00 C ATOM 834 O HIS A 52 -0.226 0.602 -1.361 1.00 0.00 O ATOM 835 CB HIS A 52 -3.214 0.293 -0.339 1.00 0.00 C ATOM 836 CG HIS A 52 -4.351 0.929 0.398 1.00 0.00 C ATOM 837 ND1 HIS A 52 -4.741 2.224 0.481 1.00 0.00 N flip ATOM 838 CD2 HIS A 52 -5.245 0.213 1.165 1.00 0.00 C flip ATOM 839 CE1 HIS A 52 -5.851 2.264 1.288 1.00 0.00 C flip ATOM 840 NE2 HIS A 52 -6.135 1.039 1.687 1.00 0.00 N flip ATOM 0 H HIS A 52 -1.285 2.396 -0.015 1.00 0.00 H new ATOM 0 HA HIS A 52 -1.896 -0.171 1.295 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -3.133 0.747 -1.327 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -3.436 -0.763 -0.491 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -5.222 -0.856 1.316 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -6.402 3.154 1.553 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -6.910 0.774 2.295 1.00 0.00 H new ATOM 849 N VAL A 53 -0.395 -1.380 -0.307 1.00 0.00 N ATOM 850 CA VAL A 53 0.658 -2.011 -1.093 1.00 0.00 C ATOM 851 C VAL A 53 0.234 -3.399 -1.563 1.00 0.00 C ATOM 852 O VAL A 53 -0.091 -4.267 -0.753 1.00 0.00 O ATOM 853 CB VAL A 53 1.968 -2.126 -0.286 1.00 0.00 C ATOM 854 CG1 VAL A 53 1.768 -3.001 0.943 1.00 0.00 C ATOM 855 CG2 VAL A 53 3.090 -2.668 -1.160 1.00 0.00 C ATOM 0 H VAL A 53 -0.819 -1.987 0.394 1.00 0.00 H new ATOM 0 HA VAL A 53 0.832 -1.376 -1.962 1.00 0.00 H new ATOM 0 HB VAL A 53 2.251 -1.129 0.051 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.704 -3.069 1.498 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.999 -2.563 1.580 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.457 -3.999 0.633 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.005 -2.742 -0.573 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.817 -3.656 -1.532 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.252 -1.995 -2.002 1.00 0.00 H new ATOM 865 N LEU A 54 0.239 -3.601 -2.877 1.00 0.00 N ATOM 866 CA LEU A 54 -0.145 -4.883 -3.454 1.00 0.00 C ATOM 867 C LEU A 54 0.869 -5.339 -4.498 1.00 0.00 C ATOM 868 O LEU A 54 1.416 -4.527 -5.243 1.00 0.00 O ATOM 869 CB LEU A 54 -1.534 -4.785 -4.090 1.00 0.00 C ATOM 870 CG LEU A 54 -2.686 -4.588 -3.105 1.00 0.00 C ATOM 871 CD1 LEU A 54 -4.015 -4.538 -3.841 1.00 0.00 C ATOM 872 CD2 LEU A 54 -2.691 -5.698 -2.064 1.00 0.00 C ATOM 0 H LEU A 54 0.505 -2.893 -3.561 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.169 -5.619 -2.650 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.535 -3.955 -4.797 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.719 -5.693 -4.664 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.543 -3.637 -2.593 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.823 -4.397 -3.123 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.009 -3.708 -4.548 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.168 -5.473 -4.381 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.517 -5.543 -1.370 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.810 -6.661 -2.560 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.749 -5.686 -1.515 1.00 0.00 H new ATOM 884 N PHE A 55 1.114 -6.645 -4.546 1.00 0.00 N ATOM 885 CA PHE A 55 2.063 -7.211 -5.501 1.00 0.00 C ATOM 886 C PHE A 55 1.327 -7.966 -6.605 1.00 0.00 C ATOM 887 O PHE A 55 0.289 -8.581 -6.362 1.00 0.00 O ATOM 888 CB PHE A 55 3.059 -8.147 -4.800 1.00 0.00 C ATOM 889 CG PHE A 55 2.786 -8.356 -3.335 1.00 0.00 C ATOM 890 CD1 PHE A 55 1.954 -9.382 -2.912 1.00 0.00 C ATOM 891 CD2 PHE A 55 3.361 -7.529 -2.385 1.00 0.00 C ATOM 892 CE1 PHE A 55 1.702 -9.576 -1.567 1.00 0.00 C ATOM 893 CE2 PHE A 55 3.112 -7.719 -1.039 1.00 0.00 C ATOM 894 CZ PHE A 55 2.281 -8.744 -0.629 1.00 0.00 C ATOM 0 H PHE A 55 0.670 -7.331 -3.936 1.00 0.00 H new ATOM 0 HA PHE A 55 2.620 -6.386 -5.947 1.00 0.00 H new ATOM 0 HB2 PHE A 55 3.045 -9.115 -5.302 1.00 0.00 H new ATOM 0 HB3 PHE A 55 4.064 -7.742 -4.916 1.00 0.00 H new ATOM 0 HD1 PHE A 55 1.499 -10.036 -3.641 1.00 0.00 H new ATOM 0 HD2 PHE A 55 4.012 -6.726 -2.699 1.00 0.00 H new ATOM 0 HE1 PHE A 55 1.052 -10.378 -1.250 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.567 -7.067 -0.308 1.00 0.00 H new ATOM 0 HZ PHE A 55 2.085 -8.894 0.422 1.00 0.00 H new ATOM 904 N LEU A 56 1.871 -7.914 -7.816 1.00 0.00 N ATOM 905 CA LEU A 56 1.264 -8.594 -8.955 1.00 0.00 C ATOM 906 C LEU A 56 2.061 -9.838 -9.336 1.00 0.00 C ATOM 907 O LEU A 56 3.241 -9.753 -9.675 1.00 0.00 O ATOM 908 CB LEU A 56 1.175 -7.646 -10.152 1.00 0.00 C ATOM 909 CG LEU A 56 0.576 -6.272 -9.848 1.00 0.00 C ATOM 910 CD1 LEU A 56 1.008 -5.259 -10.895 1.00 0.00 C ATOM 911 CD2 LEU A 56 -0.941 -6.357 -9.780 1.00 0.00 C ATOM 0 H LEU A 56 2.730 -7.409 -8.034 1.00 0.00 H new ATOM 0 HA LEU A 56 0.259 -8.903 -8.668 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.176 -7.507 -10.561 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.577 -8.122 -10.929 1.00 0.00 H new ATOM 0 HG LEU A 56 0.946 -5.941 -8.878 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.572 -4.287 -10.663 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.095 -5.178 -10.897 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.667 -5.584 -11.878 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.351 -5.371 -9.563 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.329 -6.709 -10.736 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.232 -7.052 -8.992 1.00 0.00 H new ATOM 923 N SER A 57 1.406 -10.994 -9.278 1.00 0.00 N ATOM 924 CA SER A 57 2.052 -12.256 -9.619 1.00 0.00 C ATOM 925 C SER A 57 2.239 -12.381 -11.127 1.00 0.00 C ATOM 926 O SER A 57 3.290 -12.816 -11.598 1.00 0.00 O ATOM 927 CB SER A 57 1.225 -13.432 -9.095 1.00 0.00 C ATOM 928 OG SER A 57 2.059 -14.517 -8.722 1.00 0.00 O ATOM 0 H SER A 57 0.429 -11.082 -8.998 1.00 0.00 H new ATOM 0 HA SER A 57 3.035 -12.273 -9.148 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.635 -13.111 -8.237 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.522 -13.757 -9.862 1.00 0.00 H new ATOM 0 HG SER A 57 1.507 -15.255 -8.389 1.00 0.00 H new ATOM 934 N SER A 58 1.214 -11.996 -11.881 1.00 0.00 N ATOM 935 CA SER A 58 1.269 -12.064 -13.336 1.00 0.00 C ATOM 936 C SER A 58 0.739 -10.775 -13.962 1.00 0.00 C ATOM 937 O SER A 58 1.512 -9.891 -14.330 1.00 0.00 O ATOM 938 CB SER A 58 0.469 -13.267 -13.843 1.00 0.00 C ATOM 939 OG SER A 58 1.306 -14.396 -14.022 1.00 0.00 O ATOM 0 H SER A 58 0.336 -11.634 -11.508 1.00 0.00 H new ATOM 0 HA SER A 58 2.311 -12.184 -13.632 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.323 -13.506 -13.134 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.014 -13.015 -14.787 1.00 0.00 H new ATOM 0 HG SER A 58 0.772 -15.152 -14.345 1.00 0.00 H new ATOM 945 N TYR A 59 -0.585 -10.671 -14.077 1.00 0.00 N ATOM 946 CA TYR A 59 -1.214 -9.486 -14.656 1.00 0.00 C ATOM 947 C TYR A 59 -0.571 -9.117 -15.992 1.00 0.00 C ATOM 948 O TYR A 59 0.435 -8.407 -16.031 1.00 0.00 O ATOM 949 CB TYR A 59 -1.112 -8.308 -13.684 1.00 0.00 C ATOM 950 CG TYR A 59 -1.798 -7.051 -14.172 1.00 0.00 C ATOM 951 CD1 TYR A 59 -3.031 -7.113 -14.810 1.00 0.00 C ATOM 952 CD2 TYR A 59 -1.214 -5.804 -13.994 1.00 0.00 C ATOM 953 CE1 TYR A 59 -3.662 -5.966 -15.255 1.00 0.00 C ATOM 954 CE2 TYR A 59 -1.838 -4.654 -14.436 1.00 0.00 C ATOM 955 CZ TYR A 59 -3.062 -4.740 -15.067 1.00 0.00 C ATOM 956 OH TYR A 59 -3.687 -3.596 -15.508 1.00 0.00 O ATOM 0 H TYR A 59 -1.241 -11.392 -13.777 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.264 -9.715 -14.836 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -1.546 -8.600 -12.728 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -0.060 -8.089 -13.503 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.504 -8.072 -14.961 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -0.256 -5.732 -13.502 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -4.621 -6.031 -15.748 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.370 -3.692 -14.288 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.131 -2.817 -15.296 1.00 0.00 H new ATOM 966 N ASN A 60 -1.157 -9.602 -17.082 1.00 0.00 N ATOM 967 CA ASN A 60 -0.638 -9.322 -18.416 1.00 0.00 C ATOM 968 C ASN A 60 -1.764 -9.272 -19.445 1.00 0.00 C ATOM 969 O ASN A 60 -2.223 -10.307 -19.927 1.00 0.00 O ATOM 970 CB ASN A 60 0.389 -10.381 -18.819 1.00 0.00 C ATOM 971 CG ASN A 60 -0.103 -11.792 -18.563 1.00 0.00 C ATOM 972 OD1 ASN A 60 -0.829 -12.366 -19.374 1.00 0.00 O ATOM 973 ND2 ASN A 60 0.290 -12.359 -17.428 1.00 0.00 N ATOM 0 H ASN A 60 -1.990 -10.190 -17.068 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.154 -8.346 -18.389 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.626 -10.269 -19.877 1.00 0.00 H new ATOM 0 HB3 ASN A 60 1.313 -10.216 -18.265 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.011 -13.307 -17.201 1.00 0.00 H new ATOM 0 HD22 ASN A 60 0.892 -11.847 -16.784 1.00 0.00 H new ATOM 980 N SER A 61 -2.202 -8.061 -19.779 1.00 0.00 N ATOM 981 CA SER A 61 -3.271 -7.874 -20.753 1.00 0.00 C ATOM 982 C SER A 61 -4.536 -8.614 -20.329 1.00 0.00 C ATOM 983 O SER A 61 -4.805 -9.721 -20.796 1.00 0.00 O ATOM 984 CB SER A 61 -2.823 -8.357 -22.134 1.00 0.00 C ATOM 985 OG SER A 61 -3.783 -8.033 -23.124 1.00 0.00 O ATOM 0 H SER A 61 -1.832 -7.194 -19.388 1.00 0.00 H new ATOM 0 HA SER A 61 -3.497 -6.809 -20.803 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.866 -7.902 -22.389 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.668 -9.436 -22.113 1.00 0.00 H new ATOM 0 HG SER A 61 -3.472 -8.351 -23.997 1.00 0.00 H new ATOM 991 N VAL A 62 -5.308 -7.994 -19.445 1.00 0.00 N ATOM 992 CA VAL A 62 -6.546 -8.591 -18.957 1.00 0.00 C ATOM 993 C VAL A 62 -7.441 -7.544 -18.304 1.00 0.00 C ATOM 994 O VAL A 62 -7.056 -6.911 -17.321 1.00 0.00 O ATOM 995 CB VAL A 62 -6.272 -9.719 -17.942 1.00 0.00 C ATOM 996 CG1 VAL A 62 -5.934 -11.015 -18.662 1.00 0.00 C ATOM 997 CG2 VAL A 62 -5.156 -9.324 -16.987 1.00 0.00 C ATOM 0 H VAL A 62 -5.099 -7.077 -19.051 1.00 0.00 H new ATOM 0 HA VAL A 62 -7.053 -9.012 -19.825 1.00 0.00 H new ATOM 0 HB VAL A 62 -7.177 -9.881 -17.356 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.744 -11.799 -17.929 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.770 -11.307 -19.297 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -5.045 -10.869 -19.276 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.979 -10.134 -16.279 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.245 -9.131 -17.553 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -5.444 -8.424 -16.444 1.00 0.00 H new ATOM 1007 N ASP A 63 -8.637 -7.368 -18.855 1.00 0.00 N ATOM 1008 CA ASP A 63 -9.587 -6.398 -18.326 1.00 0.00 C ATOM 1009 C ASP A 63 -10.112 -6.835 -16.961 1.00 0.00 C ATOM 1010 O ASP A 63 -10.502 -6.005 -16.140 1.00 0.00 O ATOM 1011 CB ASP A 63 -10.752 -6.211 -19.297 1.00 0.00 C ATOM 1012 CG ASP A 63 -11.533 -7.492 -19.517 1.00 0.00 C ATOM 1013 OD1 ASP A 63 -11.040 -8.367 -20.259 1.00 0.00 O ATOM 1014 OD2 ASP A 63 -12.637 -7.619 -18.947 1.00 0.00 O ATOM 0 H ASP A 63 -8.971 -7.885 -19.668 1.00 0.00 H new ATOM 0 HA ASP A 63 -9.067 -5.448 -18.207 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -11.422 -5.442 -18.913 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.371 -5.853 -20.253 1.00 0.00 H new ATOM 1019 N GLU A 64 -10.119 -8.144 -16.725 1.00 0.00 N ATOM 1020 CA GLU A 64 -10.597 -8.690 -15.459 1.00 0.00 C ATOM 1021 C GLU A 64 -9.817 -8.108 -14.284 1.00 0.00 C ATOM 1022 O GLU A 64 -10.396 -7.504 -13.380 1.00 0.00 O ATOM 1023 CB GLU A 64 -10.476 -10.215 -15.461 1.00 0.00 C ATOM 1024 CG GLU A 64 -11.158 -10.879 -14.274 1.00 0.00 C ATOM 1025 CD GLU A 64 -12.165 -11.933 -14.693 1.00 0.00 C ATOM 1026 OE1 GLU A 64 -11.738 -13.011 -15.159 1.00 0.00 O ATOM 1027 OE2 GLU A 64 -13.380 -11.681 -14.556 1.00 0.00 O ATOM 0 H GLU A 64 -9.799 -8.845 -17.393 1.00 0.00 H new ATOM 0 HA GLU A 64 -11.646 -8.414 -15.346 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.908 -10.605 -16.383 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -9.421 -10.488 -15.463 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -10.403 -11.337 -13.636 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -11.661 -10.118 -13.677 1.00 0.00 H new ATOM 1034 N ILE A 65 -8.501 -8.293 -14.303 1.00 0.00 N ATOM 1035 CA ILE A 65 -7.644 -7.784 -13.239 1.00 0.00 C ATOM 1036 C ILE A 65 -7.645 -6.260 -13.219 1.00 0.00 C ATOM 1037 O ILE A 65 -7.587 -5.643 -12.155 1.00 0.00 O ATOM 1038 CB ILE A 65 -6.196 -8.288 -13.394 1.00 0.00 C ATOM 1039 CG1 ILE A 65 -6.178 -9.810 -13.556 1.00 0.00 C ATOM 1040 CG2 ILE A 65 -5.358 -7.868 -12.195 1.00 0.00 C ATOM 1041 CD1 ILE A 65 -4.784 -10.392 -13.667 1.00 0.00 C ATOM 0 H ILE A 65 -8.006 -8.791 -15.043 1.00 0.00 H new ATOM 0 HA ILE A 65 -8.048 -8.157 -12.298 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.764 -7.840 -14.289 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.685 -10.264 -12.704 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.747 -10.079 -14.446 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.338 -8.231 -12.319 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.349 -6.781 -12.120 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.786 -8.291 -11.286 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.849 -11.474 -13.779 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.280 -9.967 -14.535 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.218 -10.154 -12.766 1.00 0.00 H new ATOM 1053 N ARG A 66 -7.711 -5.657 -14.401 1.00 0.00 N ATOM 1054 CA ARG A 66 -7.721 -4.204 -14.519 1.00 0.00 C ATOM 1055 C ARG A 66 -8.940 -3.612 -13.818 1.00 0.00 C ATOM 1056 O ARG A 66 -8.858 -2.555 -13.193 1.00 0.00 O ATOM 1057 CB ARG A 66 -7.714 -3.790 -15.991 1.00 0.00 C ATOM 1058 CG ARG A 66 -7.435 -2.312 -16.207 1.00 0.00 C ATOM 1059 CD ARG A 66 -7.920 -1.846 -17.572 1.00 0.00 C ATOM 1060 NE ARG A 66 -8.579 -0.544 -17.502 1.00 0.00 N ATOM 1061 CZ ARG A 66 -9.834 -0.369 -17.093 1.00 0.00 C ATOM 1062 NH1 ARG A 66 -10.567 -1.409 -16.718 1.00 0.00 N ATOM 1063 NH2 ARG A 66 -10.356 0.849 -17.059 1.00 0.00 N ATOM 0 H ARG A 66 -7.758 -6.152 -15.291 1.00 0.00 H new ATOM 0 HA ARG A 66 -6.822 -3.818 -14.037 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.961 -4.374 -16.520 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.679 -4.037 -16.434 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.926 -1.730 -15.427 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.365 -2.126 -16.117 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.074 -1.788 -18.257 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.612 -2.582 -17.982 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.046 0.279 -17.783 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -10.170 -2.348 -16.742 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -11.528 -1.270 -16.405 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -9.796 1.652 -17.346 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -11.317 0.983 -16.746 1.00 0.00 H new ATOM 1077 N LYS A 67 -10.070 -4.304 -13.924 1.00 0.00 N ATOM 1078 CA LYS A 67 -11.307 -3.850 -13.301 1.00 0.00 C ATOM 1079 C LYS A 67 -11.368 -4.278 -11.838 1.00 0.00 C ATOM 1080 O LYS A 67 -11.956 -3.590 -11.003 1.00 0.00 O ATOM 1081 CB LYS A 67 -12.517 -4.404 -14.056 1.00 0.00 C ATOM 1082 CG LYS A 67 -13.851 -3.953 -13.482 1.00 0.00 C ATOM 1083 CD LYS A 67 -14.749 -5.136 -13.154 1.00 0.00 C ATOM 1084 CE LYS A 67 -15.598 -5.540 -14.349 1.00 0.00 C ATOM 1085 NZ LYS A 67 -16.933 -6.052 -13.933 1.00 0.00 N ATOM 0 H LYS A 67 -10.154 -5.182 -14.436 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.327 -2.761 -13.345 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.457 -4.095 -15.099 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -12.475 -5.493 -14.044 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -13.679 -3.365 -12.580 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -14.354 -3.301 -14.197 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.138 -5.981 -12.838 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.397 -4.881 -12.316 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.728 -4.682 -15.009 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -15.077 -6.307 -14.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -17.481 -6.317 -14.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -16.811 -6.886 -13.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -17.441 -5.311 -13.408 1.00 0.00 H new ATOM 1099 N GLU A 68 -10.755 -5.418 -11.534 1.00 0.00 N ATOM 1100 CA GLU A 68 -10.739 -5.937 -10.172 1.00 0.00 C ATOM 1101 C GLU A 68 -9.891 -5.054 -9.263 1.00 0.00 C ATOM 1102 O GLU A 68 -10.356 -4.588 -8.223 1.00 0.00 O ATOM 1103 CB GLU A 68 -10.205 -7.370 -10.156 1.00 0.00 C ATOM 1104 CG GLU A 68 -10.458 -8.100 -8.847 1.00 0.00 C ATOM 1105 CD GLU A 68 -9.376 -7.840 -7.817 1.00 0.00 C ATOM 1106 OE1 GLU A 68 -8.219 -7.593 -8.220 1.00 0.00 O ATOM 1107 OE2 GLU A 68 -9.684 -7.882 -6.607 1.00 0.00 O ATOM 0 H GLU A 68 -10.263 -5.999 -12.213 1.00 0.00 H new ATOM 0 HA GLU A 68 -11.762 -5.935 -9.797 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -10.667 -7.930 -10.969 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -9.133 -7.351 -10.350 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.422 -7.790 -8.443 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -10.522 -9.171 -9.039 1.00 0.00 H new ATOM 1114 N LEU A 69 -8.643 -4.826 -9.662 1.00 0.00 N ATOM 1115 CA LEU A 69 -7.732 -3.995 -8.881 1.00 0.00 C ATOM 1116 C LEU A 69 -8.280 -2.581 -8.736 1.00 0.00 C ATOM 1117 O LEU A 69 -8.375 -2.052 -7.629 1.00 0.00 O ATOM 1118 CB LEU A 69 -6.351 -3.956 -9.539 1.00 0.00 C ATOM 1119 CG LEU A 69 -5.205 -3.545 -8.614 1.00 0.00 C ATOM 1120 CD1 LEU A 69 -4.853 -4.678 -7.663 1.00 0.00 C ATOM 1121 CD2 LEU A 69 -3.987 -3.131 -9.428 1.00 0.00 C ATOM 0 H LEU A 69 -8.240 -5.204 -10.519 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.639 -4.434 -7.888 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.132 -4.943 -9.948 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.385 -3.263 -10.380 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.530 -2.690 -8.021 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.035 -4.367 -7.013 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.724 -4.928 -7.057 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.547 -5.553 -8.237 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.180 -2.841 -8.754 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.661 -3.968 -10.046 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.246 -2.287 -10.067 1.00 0.00 H new ATOM 1133 N GLU A 70 -8.648 -1.974 -9.861 1.00 0.00 N ATOM 1134 CA GLU A 70 -9.195 -0.622 -9.856 1.00 0.00 C ATOM 1135 C GLU A 70 -10.365 -0.520 -8.881 1.00 0.00 C ATOM 1136 O GLU A 70 -10.630 0.544 -8.321 1.00 0.00 O ATOM 1137 CB GLU A 70 -9.648 -0.226 -11.263 1.00 0.00 C ATOM 1138 CG GLU A 70 -8.580 0.503 -12.062 1.00 0.00 C ATOM 1139 CD GLU A 70 -9.089 0.994 -13.403 1.00 0.00 C ATOM 1140 OE1 GLU A 70 -10.246 1.459 -13.465 1.00 0.00 O ATOM 1141 OE2 GLU A 70 -8.330 0.915 -14.391 1.00 0.00 O ATOM 0 H GLU A 70 -8.577 -2.397 -10.786 1.00 0.00 H new ATOM 0 HA GLU A 70 -8.412 0.063 -9.532 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.947 -1.123 -11.805 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.530 0.410 -11.186 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -8.214 1.351 -11.484 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.732 -0.163 -12.221 1.00 0.00 H new ATOM 1148 N GLU A 71 -11.057 -1.638 -8.682 1.00 0.00 N ATOM 1149 CA GLU A 71 -12.193 -1.682 -7.772 1.00 0.00 C ATOM 1150 C GLU A 71 -11.733 -1.496 -6.330 1.00 0.00 C ATOM 1151 O GLU A 71 -12.325 -0.729 -5.572 1.00 0.00 O ATOM 1152 CB GLU A 71 -12.939 -3.011 -7.919 1.00 0.00 C ATOM 1153 CG GLU A 71 -14.362 -2.856 -8.428 1.00 0.00 C ATOM 1154 CD GLU A 71 -14.992 -4.181 -8.810 1.00 0.00 C ATOM 1155 OE1 GLU A 71 -14.826 -5.158 -8.049 1.00 0.00 O ATOM 1156 OE2 GLU A 71 -15.650 -4.244 -9.870 1.00 0.00 O ATOM 0 H GLU A 71 -10.849 -2.525 -9.140 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.870 -0.867 -8.028 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.386 -3.655 -8.602 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -12.960 -3.515 -6.953 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.969 -2.378 -7.659 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -14.364 -2.194 -9.294 1.00 0.00 H new ATOM 1163 N ALA A 72 -10.669 -2.201 -5.960 1.00 0.00 N ATOM 1164 CA ALA A 72 -10.126 -2.111 -4.610 1.00 0.00 C ATOM 1165 C ALA A 72 -9.546 -0.725 -4.337 1.00 0.00 C ATOM 1166 O ALA A 72 -9.295 -0.365 -3.186 1.00 0.00 O ATOM 1167 CB ALA A 72 -9.065 -3.181 -4.397 1.00 0.00 C ATOM 0 H ALA A 72 -10.166 -2.840 -6.576 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.942 -2.276 -3.907 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.668 -3.103 -3.385 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -9.509 -4.167 -4.537 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.258 -3.041 -5.116 1.00 0.00 H new ATOM 1173 N GLY A 73 -9.331 0.048 -5.399 1.00 0.00 N ATOM 1174 CA GLY A 73 -8.781 1.382 -5.245 1.00 0.00 C ATOM 1175 C GLY A 73 -9.806 2.388 -4.760 1.00 0.00 C ATOM 1176 O GLY A 73 -9.703 2.897 -3.644 1.00 0.00 O ATOM 0 H GLY A 73 -9.528 -0.226 -6.361 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.950 1.348 -4.540 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.375 1.715 -6.200 1.00 0.00 H new ATOM 1180 N ALA A 74 -10.794 2.682 -5.600 1.00 0.00 N ATOM 1181 CA ALA A 74 -11.836 3.642 -5.247 1.00 0.00 C ATOM 1182 C ALA A 74 -13.210 2.980 -5.152 1.00 0.00 C ATOM 1183 O ALA A 74 -14.186 3.617 -4.757 1.00 0.00 O ATOM 1184 CB ALA A 74 -11.867 4.777 -6.259 1.00 0.00 C ATOM 0 H ALA A 74 -10.895 2.271 -6.528 1.00 0.00 H new ATOM 0 HA ALA A 74 -11.596 4.043 -4.262 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -12.648 5.487 -5.986 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.902 5.284 -6.267 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -12.073 4.375 -7.251 1.00 0.00 H new ATOM 1190 N LYS A 75 -13.283 1.703 -5.514 1.00 0.00 N ATOM 1191 CA LYS A 75 -14.542 0.967 -5.465 1.00 0.00 C ATOM 1192 C LYS A 75 -14.610 0.099 -4.204 1.00 0.00 C ATOM 1193 O LYS A 75 -14.103 0.491 -3.154 1.00 0.00 O ATOM 1194 CB LYS A 75 -14.698 0.115 -6.729 1.00 0.00 C ATOM 1195 CG LYS A 75 -16.137 -0.009 -7.204 1.00 0.00 C ATOM 1196 CD LYS A 75 -16.582 1.229 -7.967 1.00 0.00 C ATOM 1197 CE LYS A 75 -16.397 1.055 -9.465 1.00 0.00 C ATOM 1198 NZ LYS A 75 -16.424 2.359 -10.183 1.00 0.00 N ATOM 0 H LYS A 75 -12.487 1.157 -5.844 1.00 0.00 H new ATOM 0 HA LYS A 75 -15.367 1.678 -5.424 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -14.097 0.550 -7.527 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -14.300 -0.881 -6.537 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -16.236 -0.886 -7.843 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -16.792 -0.164 -6.347 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -17.630 1.434 -7.750 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -16.011 2.093 -7.626 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -15.448 0.554 -9.658 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -17.184 0.409 -9.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -16.294 2.197 -11.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -17.339 2.826 -10.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -15.657 2.966 -9.829 1.00 0.00 H new ATOM 1212 N ILE A 76 -15.240 -1.076 -4.307 1.00 0.00 N ATOM 1213 CA ILE A 76 -15.370 -1.988 -3.169 1.00 0.00 C ATOM 1214 C ILE A 76 -14.089 -2.035 -2.338 1.00 0.00 C ATOM 1215 O ILE A 76 -12.989 -2.136 -2.880 1.00 0.00 O ATOM 1216 CB ILE A 76 -15.719 -3.421 -3.627 1.00 0.00 C ATOM 1217 CG1 ILE A 76 -16.940 -3.407 -4.552 1.00 0.00 C ATOM 1218 CG2 ILE A 76 -15.970 -4.319 -2.422 1.00 0.00 C ATOM 1219 CD1 ILE A 76 -17.415 -4.788 -4.952 1.00 0.00 C ATOM 0 H ILE A 76 -15.668 -1.417 -5.168 1.00 0.00 H new ATOM 0 HA ILE A 76 -16.182 -1.599 -2.555 1.00 0.00 H new ATOM 0 HB ILE A 76 -14.872 -3.821 -4.184 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -17.755 -2.882 -4.055 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -16.697 -2.841 -5.451 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -16.215 -5.325 -2.763 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -15.075 -4.354 -1.801 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -16.801 -3.921 -1.839 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -18.282 -4.699 -5.607 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -16.615 -5.310 -5.478 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -17.690 -5.351 -4.060 1.00 0.00 H new ATOM 1231 N ASN A 77 -14.243 -1.960 -1.020 1.00 0.00 N ATOM 1232 CA ASN A 77 -13.102 -1.991 -0.110 1.00 0.00 C ATOM 1233 C ASN A 77 -12.252 -3.236 -0.338 1.00 0.00 C ATOM 1234 O ASN A 77 -12.581 -4.080 -1.173 1.00 0.00 O ATOM 1235 CB ASN A 77 -13.581 -1.947 1.342 1.00 0.00 C ATOM 1236 CG ASN A 77 -14.618 -0.868 1.577 1.00 0.00 C ATOM 1237 OD1 ASN A 77 -15.790 -1.158 1.817 1.00 0.00 O ATOM 1238 ND2 ASN A 77 -14.191 0.388 1.509 1.00 0.00 N ATOM 0 H ASN A 77 -15.148 -1.877 -0.557 1.00 0.00 H new ATOM 0 HA ASN A 77 -12.487 -1.114 -0.312 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -14.001 -2.916 1.612 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -12.728 -1.776 1.998 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -14.844 1.157 1.658 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -13.210 0.583 1.307 1.00 0.00 H new ATOM 1245 N HIS A 78 -11.159 -3.343 0.409 1.00 0.00 N ATOM 1246 CA HIS A 78 -10.260 -4.486 0.290 1.00 0.00 C ATOM 1247 C HIS A 78 -10.792 -5.684 1.073 1.00 0.00 C ATOM 1248 O HIS A 78 -10.467 -6.830 0.767 1.00 0.00 O ATOM 1249 CB HIS A 78 -8.861 -4.117 0.792 1.00 0.00 C ATOM 1250 CG HIS A 78 -8.384 -2.781 0.312 1.00 0.00 C ATOM 1251 ND1 HIS A 78 -8.795 -1.589 0.869 1.00 0.00 N ATOM 1252 CD2 HIS A 78 -7.523 -2.453 -0.681 1.00 0.00 C ATOM 1253 CE1 HIS A 78 -8.208 -0.586 0.242 1.00 0.00 C ATOM 1254 NE2 HIS A 78 -7.431 -1.083 -0.703 1.00 0.00 N ATOM 0 H HIS A 78 -10.874 -2.653 1.103 1.00 0.00 H new ATOM 0 HA HIS A 78 -10.202 -4.760 -0.763 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -8.862 -4.123 1.882 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -8.155 -4.883 0.470 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -7.006 -3.141 -1.334 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -8.341 0.463 0.464 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -6.856 -0.538 -1.345 1.00 0.00 H new ATOM 1263 N THR A 79 -11.610 -5.408 2.085 1.00 0.00 N ATOM 1264 CA THR A 79 -12.187 -6.462 2.914 1.00 0.00 C ATOM 1265 C THR A 79 -11.094 -7.293 3.581 1.00 0.00 C ATOM 1266 O THR A 79 -11.065 -8.518 3.457 1.00 0.00 O ATOM 1267 CB THR A 79 -13.101 -7.365 2.078 1.00 0.00 C ATOM 1268 OG1 THR A 79 -12.343 -8.316 1.351 1.00 0.00 O ATOM 1269 CG2 THR A 79 -13.957 -6.603 1.088 1.00 0.00 C ATOM 0 H THR A 79 -11.888 -4.463 2.351 1.00 0.00 H new ATOM 0 HA THR A 79 -12.781 -5.987 3.695 1.00 0.00 H new ATOM 0 HB THR A 79 -13.757 -7.853 2.799 1.00 0.00 H new ATOM 0 HG1 THR A 79 -11.399 -8.051 1.351 1.00 0.00 H new ATOM 0 HG21 THR A 79 -14.579 -7.303 0.530 1.00 0.00 H new ATOM 0 HG22 THR A 79 -14.594 -5.899 1.624 1.00 0.00 H new ATOM 0 HG23 THR A 79 -13.315 -6.057 0.396 1.00 0.00 H new ATOM 1277 N THR A 80 -10.196 -6.617 4.292 1.00 0.00 N ATOM 1278 CA THR A 80 -9.101 -7.289 4.984 1.00 0.00 C ATOM 1279 C THR A 80 -8.249 -8.097 4.009 1.00 0.00 C ATOM 1280 O THR A 80 -8.330 -7.907 2.795 1.00 0.00 O ATOM 1281 CB THR A 80 -9.647 -8.202 6.086 1.00 0.00 C ATOM 1282 OG1 THR A 80 -10.092 -9.434 5.544 1.00 0.00 O ATOM 1283 CG2 THR A 80 -10.802 -7.595 6.854 1.00 0.00 C ATOM 0 H THR A 80 -10.205 -5.603 4.404 1.00 0.00 H new ATOM 0 HA THR A 80 -8.470 -6.524 5.437 1.00 0.00 H new ATOM 0 HB THR A 80 -8.814 -8.350 6.773 1.00 0.00 H new ATOM 0 HG1 THR A 80 -10.858 -9.274 4.954 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.139 -8.295 7.618 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.477 -6.669 7.328 1.00 0.00 H new ATOM 0 HG23 THR A 80 -11.623 -7.383 6.169 1.00 0.00 H new ATOM 1291 N LEU A 81 -7.432 -9.000 4.547 1.00 0.00 N ATOM 1292 CA LEU A 81 -6.566 -9.838 3.724 1.00 0.00 C ATOM 1293 C LEU A 81 -7.363 -10.923 2.997 1.00 0.00 C ATOM 1294 O LEU A 81 -6.810 -11.671 2.189 1.00 0.00 O ATOM 1295 CB LEU A 81 -5.481 -10.484 4.588 1.00 0.00 C ATOM 1296 CG LEU A 81 -4.646 -9.508 5.418 1.00 0.00 C ATOM 1297 CD1 LEU A 81 -3.805 -10.260 6.438 1.00 0.00 C ATOM 1298 CD2 LEU A 81 -3.761 -8.662 4.515 1.00 0.00 C ATOM 0 H LEU A 81 -7.352 -9.169 5.550 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.101 -9.198 2.974 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.953 -11.199 5.262 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -4.812 -11.051 3.940 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.324 -8.844 5.954 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.217 -9.550 7.020 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.459 -10.822 7.105 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.135 -10.948 5.921 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.174 -7.973 5.123 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.090 -9.311 3.951 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.384 -8.095 3.823 1.00 0.00 H new ATOM 1310 N LYS A 82 -8.661 -11.010 3.285 1.00 0.00 N ATOM 1311 CA LYS A 82 -9.521 -12.008 2.656 1.00 0.00 C ATOM 1312 C LYS A 82 -9.332 -12.024 1.141 1.00 0.00 C ATOM 1313 O LYS A 82 -9.461 -13.069 0.502 1.00 0.00 O ATOM 1314 CB LYS A 82 -10.987 -11.737 2.998 1.00 0.00 C ATOM 1315 CG LYS A 82 -11.766 -12.989 3.365 1.00 0.00 C ATOM 1316 CD LYS A 82 -12.210 -13.751 2.128 1.00 0.00 C ATOM 1317 CE LYS A 82 -12.622 -15.175 2.468 1.00 0.00 C ATOM 1318 NZ LYS A 82 -11.457 -16.013 2.866 1.00 0.00 N ATOM 0 H LYS A 82 -9.139 -10.401 3.950 1.00 0.00 H new ATOM 0 HA LYS A 82 -9.238 -12.986 3.045 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -11.034 -11.033 3.829 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -11.468 -11.256 2.146 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -11.147 -13.634 3.988 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -12.639 -12.715 3.958 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -13.046 -13.231 1.660 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -11.399 -13.770 1.400 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -13.350 -15.158 3.279 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -13.115 -15.625 1.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -11.621 -16.997 2.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -10.597 -15.654 2.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -11.338 -15.974 3.898 1.00 0.00 H new ATOM 1332 N ILE A 83 -9.022 -10.864 0.569 1.00 0.00 N ATOM 1333 CA ILE A 83 -8.813 -10.762 -0.870 1.00 0.00 C ATOM 1334 C ILE A 83 -7.610 -11.589 -1.300 1.00 0.00 C ATOM 1335 O ILE A 83 -7.592 -12.156 -2.392 1.00 0.00 O ATOM 1336 CB ILE A 83 -8.607 -9.301 -1.318 1.00 0.00 C ATOM 1337 CG1 ILE A 83 -7.611 -8.593 -0.396 1.00 0.00 C ATOM 1338 CG2 ILE A 83 -9.935 -8.560 -1.342 1.00 0.00 C ATOM 1339 CD1 ILE A 83 -6.940 -7.399 -1.038 1.00 0.00 C ATOM 0 H ILE A 83 -8.911 -9.987 1.077 1.00 0.00 H new ATOM 0 HA ILE A 83 -9.714 -11.147 -1.348 1.00 0.00 H new ATOM 0 HB ILE A 83 -8.197 -9.304 -2.328 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -8.130 -8.267 0.505 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -6.847 -9.305 -0.084 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -9.771 -7.530 -1.660 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -10.614 -9.052 -2.039 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -10.373 -8.566 -0.344 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.248 -6.946 -0.329 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -6.393 -7.722 -1.924 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -7.696 -6.668 -1.325 1.00 0.00 H new ATOM 1351 N LEU A 84 -6.608 -11.663 -0.430 1.00 0.00 N ATOM 1352 CA LEU A 84 -5.408 -12.433 -0.720 1.00 0.00 C ATOM 1353 C LEU A 84 -5.742 -13.915 -0.799 1.00 0.00 C ATOM 1354 O LEU A 84 -5.245 -14.631 -1.668 1.00 0.00 O ATOM 1355 CB LEU A 84 -4.341 -12.190 0.350 1.00 0.00 C ATOM 1356 CG LEU A 84 -3.640 -10.832 0.271 1.00 0.00 C ATOM 1357 CD1 LEU A 84 -4.295 -9.839 1.219 1.00 0.00 C ATOM 1358 CD2 LEU A 84 -2.159 -10.977 0.585 1.00 0.00 C ATOM 0 H LEU A 84 -6.605 -11.200 0.479 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.013 -12.108 -1.682 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.805 -12.285 1.332 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.588 -12.975 0.275 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.738 -10.451 -0.746 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.784 -8.879 1.150 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.343 -9.713 0.947 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.228 -10.213 2.241 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.677 -10.001 0.524 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.038 -11.379 1.591 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.699 -11.655 -0.134 1.00 0.00 H new ATOM 1370 N GLU A 85 -6.601 -14.364 0.109 1.00 0.00 N ATOM 1371 CA GLU A 85 -7.019 -15.757 0.136 1.00 0.00 C ATOM 1372 C GLU A 85 -7.793 -16.103 -1.132 1.00 0.00 C ATOM 1373 O GLU A 85 -7.841 -17.261 -1.548 1.00 0.00 O ATOM 1374 CB GLU A 85 -7.879 -16.032 1.371 1.00 0.00 C ATOM 1375 CG GLU A 85 -7.570 -17.360 2.044 1.00 0.00 C ATOM 1376 CD GLU A 85 -7.074 -17.193 3.468 1.00 0.00 C ATOM 1377 OE1 GLU A 85 -6.505 -16.125 3.776 1.00 0.00 O ATOM 1378 OE2 GLU A 85 -7.254 -18.131 4.273 1.00 0.00 O ATOM 0 H GLU A 85 -7.020 -13.783 0.835 1.00 0.00 H new ATOM 0 HA GLU A 85 -6.129 -16.384 0.184 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -7.734 -15.227 2.091 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.930 -16.016 1.083 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.467 -17.979 2.046 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -6.818 -17.892 1.461 1.00 0.00 H new ATOM 1385 N GLY A 86 -8.399 -15.088 -1.745 1.00 0.00 N ATOM 1386 CA GLY A 86 -9.159 -15.301 -2.961 1.00 0.00 C ATOM 1387 C GLY A 86 -8.271 -15.512 -4.171 1.00 0.00 C ATOM 1388 O GLY A 86 -8.602 -16.294 -5.061 1.00 0.00 O ATOM 0 H GLY A 86 -8.376 -14.122 -1.419 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -9.806 -16.169 -2.834 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -9.807 -14.442 -3.135 1.00 0.00 H new ATOM 1392 N HIS A 87 -7.139 -14.812 -4.208 1.00 0.00 N ATOM 1393 CA HIS A 87 -6.206 -14.932 -5.325 1.00 0.00 C ATOM 1394 C HIS A 87 -4.960 -14.083 -5.094 1.00 0.00 C ATOM 1395 O HIS A 87 -4.810 -13.011 -5.681 1.00 0.00 O ATOM 1396 CB HIS A 87 -6.886 -14.517 -6.632 1.00 0.00 C ATOM 1397 CG HIS A 87 -7.424 -13.120 -6.613 1.00 0.00 C ATOM 1398 ND1 HIS A 87 -7.997 -12.403 -5.617 1.00 0.00 N flip ATOM 1399 CD2 HIS A 87 -7.409 -12.293 -7.717 1.00 0.00 C flip ATOM 1400 CE1 HIS A 87 -8.313 -11.171 -6.133 1.00 0.00 C flip ATOM 1401 NE2 HIS A 87 -7.949 -11.130 -7.400 1.00 0.00 N flip ATOM 0 H HIS A 87 -6.847 -14.159 -3.481 1.00 0.00 H new ATOM 0 HA HIS A 87 -5.901 -15.976 -5.397 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -6.171 -14.610 -7.449 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -7.702 -15.208 -6.842 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -7.017 -12.555 -8.689 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -8.784 -10.365 -5.589 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -8.065 -10.335 -8.028 1.00 0.00 H new ATOM 1410 N LEU A 88 -4.068 -14.571 -4.238 1.00 0.00 N ATOM 1411 CA LEU A 88 -2.834 -13.857 -3.933 1.00 0.00 C ATOM 1412 C LEU A 88 -1.885 -14.731 -3.119 1.00 0.00 C ATOM 1413 O LEU A 88 -2.370 -15.455 -2.224 1.00 0.00 O ATOM 1414 CB LEU A 88 -3.141 -12.568 -3.169 1.00 0.00 C ATOM 1415 CG LEU A 88 -2.191 -11.403 -3.452 1.00 0.00 C ATOM 1416 CD1 LEU A 88 -0.774 -11.754 -3.028 1.00 0.00 C ATOM 1417 CD2 LEU A 88 -2.232 -11.029 -4.927 1.00 0.00 C ATOM 1418 OXT LEU A 88 -0.665 -14.687 -3.384 1.00 0.00 O ATOM 0 H LEU A 88 -4.177 -15.457 -3.744 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.348 -13.605 -4.876 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.157 -12.255 -3.410 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.119 -12.783 -2.101 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.519 -10.542 -2.870 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.113 -10.913 -3.237 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.757 -11.972 -1.960 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.435 -12.629 -3.582 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.550 -10.199 -5.111 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.930 -11.886 -5.528 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.245 -10.734 -5.199 1.00 0.00 H new