USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 848 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: B 49 THR OG1 : rot -66:sc= -1.65! USER MOD Set 1.2: B 51 THR OG1 : rot 93:sc= 0.168 USER MOD Set 2.1: B 4 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.169) USER MOD Set 2.2: B 17 THR OG1 : rot 180:sc= -0.0586 USER MOD Set 3.1: B 8 ASN : amide:sc= -1.32! X(o=-1.3!,f=-1.1) USER MOD Set 3.2: B 55 THR OG1 : rot 180:sc= 0.0232 USER MOD Set 4.1: B 1 MET CE :methyl -171:sc= -0.0459 (180deg=-0.0898) USER MOD Set 4.2: B 1 MET N :NH3+ 173:sc= 0.571 (180deg=0.177) USER MOD Set 4.3: B 3 TYR OH : rot 180:sc= -0.0064 USER MOD Set 4.4: B 50 LYS NZ :NH3+ 153:sc= -0.0249 (180deg=-0.494) USER MOD Set 5.1: A 8 ASN : amide:sc= -1.1! X(o=-1.1!,f=-0.94) USER MOD Set 5.2: A 55 THR OG1 : rot 180:sc= 0.021 USER MOD Set 6.1: A 1 MET CE :methyl -171:sc= -0.0319 (180deg=-0.0672) USER MOD Set 6.2: A 1 MET N :NH3+ 171:sc= 0.304! (180deg=0.0789!) USER MOD Set 6.3: A 3 TYR OH : rot 180:sc= 0.00754 USER MOD Set 6.4: A 50 LYS NZ :NH3+ 154:sc=-0.00891 (180deg=-0.497) USER MOD Set 7.1: A 49 THR OG1 : rot -81:sc= -1.73! USER MOD Set 7.2: A 51 THR OG1 : rot 95:sc= 0.0975 USER MOD Set 8.1: A 4 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.163) USER MOD Set 8.2: A 17 THR OG1 : rot 180:sc= -0.0948 USER MOD Single : A 2 GLN : amide:sc= -23.2! C(o=-23!,f=-18!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -139:sc= 0.0531! (180deg=-1.37!) USER MOD Single : A 16 THR OG1 : rot -160:sc= -2.09 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -100:sc= -2.86! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -1.2! K(o=-1.2!,f=-0.17) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.126 X(o=-0.13,f=-0.19) USER MOD Single : A 37 ASN : amide:sc= -4.89! C(o=-4.9!,f=-13!) USER MOD Single : A 44 THR OG1 : rot 42:sc= -0.357 USER MOD Single : A 45 TYR OH : rot -3:sc= 0.00771 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : B 2 GLN : amide:sc= -23.6! C(o=-24!,f=-18!) USER MOD Single : B 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 11 THR OG1 : rot 180:sc= 0 USER MOD Single : B 13 LYS NZ :NH3+ -152:sc= 0.205 (180deg=-1.52!) USER MOD Single : B 16 THR OG1 : rot -160:sc= -2.25 USER MOD Single : B 18 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 THR OG1 : rot -110:sc= -2.96! USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 GLN : amide:sc= -0.929 K(o=-0.93,f=-0.25) USER MOD Single : B 33 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 ASN : amide:sc= -4.57! C(o=-4.6!,f=-9.7!) USER MOD Single : B 37 ASN : amide:sc= -0.831 K(o=-0.83,f=-2.8!) USER MOD Single : B 44 THR OG1 : rot 46:sc= -0.205 USER MOD Single : B 45 TYR OH : rot -2:sc= 0.0272 USER MOD Single : B 53 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.388 5.929 -18.832 1.00 0.00 N ATOM 2 CA MET A 1 -5.586 6.321 -18.042 1.00 0.00 C ATOM 3 C MET A 1 -5.394 5.923 -16.587 1.00 0.00 C ATOM 4 O MET A 1 -4.274 5.692 -16.142 1.00 0.00 O ATOM 5 CB MET A 1 -6.824 5.633 -18.645 1.00 0.00 C ATOM 6 CG MET A 1 -6.962 4.176 -18.163 1.00 0.00 C ATOM 7 SD MET A 1 -5.335 3.395 -18.037 1.00 0.00 S ATOM 8 CE MET A 1 -5.186 2.866 -19.762 1.00 0.00 C ATOM 0 H1 MET A 1 -4.582 6.062 -19.845 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.580 6.521 -18.553 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.164 4.930 -18.650 1.00 0.00 H new ATOM 0 HA MET A 1 -5.727 7.401 -18.080 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.719 6.192 -18.372 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.756 5.651 -19.733 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.459 4.153 -17.193 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.589 3.615 -18.856 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.316 2.218 -19.870 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.084 2.321 -20.054 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.068 3.741 -20.402 1.00 0.00 H new ATOM 20 N GLN A 2 -6.488 5.860 -15.847 1.00 0.00 N ATOM 21 CA GLN A 2 -6.403 5.500 -14.443 1.00 0.00 C ATOM 22 C GLN A 2 -6.023 4.023 -14.329 1.00 0.00 C ATOM 23 O GLN A 2 -6.586 3.176 -15.025 1.00 0.00 O ATOM 24 CB GLN A 2 -7.759 5.761 -13.745 1.00 0.00 C ATOM 25 CG GLN A 2 -7.553 5.970 -12.233 1.00 0.00 C ATOM 26 CD GLN A 2 -6.756 4.821 -11.683 1.00 0.00 C ATOM 27 OE1 GLN A 2 -7.254 3.705 -11.605 1.00 0.00 O ATOM 28 NE2 GLN A 2 -5.491 5.010 -11.388 1.00 0.00 N ATOM 0 H GLN A 2 -7.430 6.050 -16.188 1.00 0.00 H new ATOM 0 HA GLN A 2 -5.642 6.109 -13.954 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -8.235 6.640 -14.179 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -8.430 4.919 -13.914 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -7.033 6.910 -12.051 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -8.516 6.036 -11.728 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -5.085 5.943 -11.456 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -4.914 4.223 -11.091 1.00 0.00 H new ATOM 37 N TYR A 3 -5.070 3.716 -13.445 1.00 0.00 N ATOM 38 CA TYR A 3 -4.626 2.334 -13.234 1.00 0.00 C ATOM 39 C TYR A 3 -4.987 1.908 -11.821 1.00 0.00 C ATOM 40 O TYR A 3 -5.277 2.750 -10.992 1.00 0.00 O ATOM 41 CB TYR A 3 -3.121 2.219 -13.460 1.00 0.00 C ATOM 42 CG TYR A 3 -2.839 2.565 -14.898 1.00 0.00 C ATOM 43 CD1 TYR A 3 -3.097 1.633 -15.922 1.00 0.00 C ATOM 44 CD2 TYR A 3 -2.414 3.865 -15.231 1.00 0.00 C ATOM 45 CE1 TYR A 3 -2.901 1.989 -17.268 1.00 0.00 C ATOM 46 CE2 TYR A 3 -2.203 4.213 -16.579 1.00 0.00 C ATOM 47 CZ TYR A 3 -2.431 3.270 -17.593 1.00 0.00 C ATOM 48 OH TYR A 3 -2.238 3.608 -18.915 1.00 0.00 O ATOM 0 H TYR A 3 -4.591 4.404 -12.864 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.125 1.678 -13.948 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -2.583 2.893 -12.793 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -2.778 1.209 -13.237 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -3.446 0.642 -15.673 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -2.250 4.595 -14.453 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -3.112 1.276 -18.051 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.865 5.207 -16.833 1.00 0.00 H new ATOM 0 HH TYR A 3 -1.911 4.530 -18.973 1.00 0.00 H new ATOM 58 N LYS A 4 -4.977 0.614 -11.506 1.00 0.00 N ATOM 59 CA LYS A 4 -5.333 0.189 -10.150 1.00 0.00 C ATOM 60 C LYS A 4 -4.345 -0.852 -9.645 1.00 0.00 C ATOM 61 O LYS A 4 -3.672 -1.519 -10.428 1.00 0.00 O ATOM 62 CB LYS A 4 -6.768 -0.360 -10.146 1.00 0.00 C ATOM 63 CG LYS A 4 -7.406 -0.224 -8.754 1.00 0.00 C ATOM 64 CD LYS A 4 -8.871 -0.666 -8.833 1.00 0.00 C ATOM 65 CE LYS A 4 -9.506 -0.640 -7.441 1.00 0.00 C ATOM 66 NZ LYS A 4 -9.607 0.767 -6.957 1.00 0.00 N ATOM 0 H LYS A 4 -4.734 -0.140 -12.148 1.00 0.00 H new ATOM 0 HA LYS A 4 -5.286 1.045 -9.477 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.369 0.178 -10.879 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.761 -1.408 -10.446 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -6.866 -0.836 -8.031 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -7.342 0.808 -8.409 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.422 -0.007 -9.504 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.933 -1.671 -9.251 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -10.496 -1.094 -7.475 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.908 -1.231 -6.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.215 0.801 -6.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -8.659 1.120 -6.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -10.018 1.363 -7.704 1.00 0.00 H new ATOM 80 N LEU A 5 -4.243 -0.953 -8.325 1.00 0.00 N ATOM 81 CA LEU A 5 -3.320 -1.890 -7.690 1.00 0.00 C ATOM 82 C LEU A 5 -4.089 -2.879 -6.826 1.00 0.00 C ATOM 83 O LEU A 5 -4.625 -2.499 -5.797 1.00 0.00 O ATOM 84 CB LEU A 5 -2.349 -1.093 -6.797 1.00 0.00 C ATOM 85 CG LEU A 5 -1.065 -1.888 -6.479 1.00 0.00 C ATOM 86 CD1 LEU A 5 -1.410 -3.221 -5.804 1.00 0.00 C ATOM 87 CD2 LEU A 5 -0.240 -2.140 -7.766 1.00 0.00 C ATOM 0 H LEU A 5 -4.790 -0.395 -7.670 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.773 -2.438 -8.457 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -2.083 -0.160 -7.294 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.850 -0.827 -5.866 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.462 -1.294 -5.793 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.492 -3.767 -5.587 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -1.947 -3.030 -4.875 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.037 -3.814 -6.470 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.660 -2.702 -7.517 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -0.839 -2.710 -8.476 1.00 0.00 H new ATOM 0 HD23 LEU A 5 0.040 -1.185 -8.212 1.00 0.00 H new ATOM 99 N ILE A 6 -4.093 -4.152 -7.212 1.00 0.00 N ATOM 100 CA ILE A 6 -4.746 -5.185 -6.401 1.00 0.00 C ATOM 101 C ILE A 6 -3.667 -5.841 -5.613 1.00 0.00 C ATOM 102 O ILE A 6 -2.700 -6.341 -6.193 1.00 0.00 O ATOM 103 CB ILE A 6 -5.462 -6.216 -7.276 1.00 0.00 C ATOM 104 CG1 ILE A 6 -6.657 -5.526 -7.899 1.00 0.00 C ATOM 105 CG2 ILE A 6 -5.920 -7.406 -6.431 1.00 0.00 C ATOM 106 CD1 ILE A 6 -7.282 -6.398 -8.988 1.00 0.00 C ATOM 0 H ILE A 6 -3.659 -4.494 -8.069 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.505 -4.741 -5.757 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.791 -6.596 -8.046 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -7.399 -5.309 -7.130 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.350 -4.570 -8.324 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.428 -8.131 -7.068 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.054 -7.876 -5.965 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.605 -7.060 -5.657 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -8.139 -5.881 -9.421 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.544 -6.593 -9.766 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -7.609 -7.343 -8.554 1.00 0.00 H new ATOM 118 N LEU A 7 -3.768 -5.833 -4.293 1.00 0.00 N ATOM 119 CA LEU A 7 -2.736 -6.408 -3.478 1.00 0.00 C ATOM 120 C LEU A 7 -3.141 -7.780 -2.983 1.00 0.00 C ATOM 121 O LEU A 7 -4.107 -7.926 -2.234 1.00 0.00 O ATOM 122 CB LEU A 7 -2.517 -5.485 -2.280 1.00 0.00 C ATOM 123 CG LEU A 7 -1.238 -5.872 -1.535 1.00 0.00 C ATOM 124 CD1 LEU A 7 0.006 -5.501 -2.364 1.00 0.00 C ATOM 125 CD2 LEU A 7 -1.209 -5.150 -0.174 1.00 0.00 C ATOM 0 H LEU A 7 -4.552 -5.435 -3.776 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.824 -6.514 -4.065 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.450 -4.451 -2.617 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.371 -5.546 -1.605 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.227 -6.950 -1.376 1.00 0.00 H new ATOM 0 HD11 LEU A 7 0.905 -5.784 -1.817 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.021 -6.030 -3.317 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.015 -4.426 -2.545 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -0.300 -5.421 0.363 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.228 -4.072 -0.334 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -2.079 -5.445 0.413 1.00 0.00 H new ATOM 137 N ASN A 8 -2.316 -8.755 -3.324 1.00 0.00 N ATOM 138 CA ASN A 8 -2.504 -10.108 -2.821 1.00 0.00 C ATOM 139 C ASN A 8 -1.247 -10.455 -2.066 1.00 0.00 C ATOM 140 O ASN A 8 -0.172 -10.637 -2.638 1.00 0.00 O ATOM 141 CB ASN A 8 -2.787 -11.124 -3.920 1.00 0.00 C ATOM 142 CG ASN A 8 -3.693 -10.525 -4.963 1.00 0.00 C ATOM 143 OD1 ASN A 8 -4.865 -10.284 -4.696 1.00 0.00 O ATOM 144 ND2 ASN A 8 -3.197 -10.286 -6.154 1.00 0.00 N ATOM 0 H ASN A 8 -1.514 -8.638 -3.943 1.00 0.00 H new ATOM 0 HA ASN A 8 -3.385 -10.144 -2.180 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -1.852 -11.442 -4.380 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -3.251 -12.013 -3.493 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -3.790 -9.891 -6.884 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -2.218 -10.496 -6.350 1.00 0.00 H new ATOM 151 N GLY A 9 -1.407 -10.494 -0.769 1.00 0.00 N ATOM 152 CA GLY A 9 -0.309 -10.765 0.146 1.00 0.00 C ATOM 153 C GLY A 9 -0.822 -11.432 1.402 1.00 0.00 C ATOM 154 O GLY A 9 -2.014 -11.432 1.664 1.00 0.00 O ATOM 0 H GLY A 9 -2.303 -10.339 -0.307 1.00 0.00 H new ATOM 0 HA2 GLY A 9 0.427 -11.406 -0.339 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.198 -9.834 0.402 1.00 0.00 H new ATOM 158 N LYS A 10 0.078 -12.005 2.182 1.00 0.00 N ATOM 159 CA LYS A 10 -0.319 -12.682 3.411 1.00 0.00 C ATOM 160 C LYS A 10 -0.253 -11.730 4.589 1.00 0.00 C ATOM 161 O LYS A 10 -1.158 -11.694 5.421 1.00 0.00 O ATOM 162 CB LYS A 10 0.604 -13.879 3.643 1.00 0.00 C ATOM 163 CG LYS A 10 0.500 -14.863 2.466 1.00 0.00 C ATOM 164 CD LYS A 10 -0.839 -15.609 2.508 1.00 0.00 C ATOM 165 CE LYS A 10 -0.845 -16.706 1.448 1.00 0.00 C ATOM 166 NZ LYS A 10 -2.086 -17.516 1.592 1.00 0.00 N ATOM 0 H LYS A 10 1.080 -12.017 1.992 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.348 -13.028 3.315 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.634 -13.538 3.752 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.334 -14.381 4.572 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.593 -14.323 1.524 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.323 -15.577 2.507 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.995 -16.043 3.496 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -1.660 -14.914 2.332 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.796 -16.266 0.452 1.00 0.00 H new ATOM 0 HE3 LYS A 10 0.034 -17.341 1.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.096 -18.266 0.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.113 -17.945 2.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.917 -16.903 1.466 1.00 0.00 H new ATOM 180 N THR A 11 0.818 -10.957 4.655 1.00 0.00 N ATOM 181 CA THR A 11 0.993 -9.999 5.735 1.00 0.00 C ATOM 182 C THR A 11 0.412 -8.647 5.330 1.00 0.00 C ATOM 183 O THR A 11 0.406 -7.699 6.115 1.00 0.00 O ATOM 184 CB THR A 11 2.484 -9.877 6.059 1.00 0.00 C ATOM 185 OG1 THR A 11 2.997 -11.170 6.354 1.00 0.00 O ATOM 186 CG2 THR A 11 2.684 -8.967 7.270 1.00 0.00 C ATOM 0 H THR A 11 1.578 -10.973 3.975 1.00 0.00 H new ATOM 0 HA THR A 11 0.465 -10.342 6.625 1.00 0.00 H new ATOM 0 HB THR A 11 3.007 -9.450 5.204 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.952 -11.103 6.561 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.748 -8.886 7.493 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.283 -7.977 7.052 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.164 -9.387 8.131 1.00 0.00 H new ATOM 194 N LEU A 12 -0.087 -8.568 4.096 1.00 0.00 N ATOM 195 CA LEU A 12 -0.678 -7.330 3.594 1.00 0.00 C ATOM 196 C LEU A 12 -1.756 -7.647 2.552 1.00 0.00 C ATOM 197 O LEU A 12 -1.574 -8.518 1.702 1.00 0.00 O ATOM 198 CB LEU A 12 0.433 -6.443 2.981 1.00 0.00 C ATOM 199 CG LEU A 12 0.186 -4.943 3.294 1.00 0.00 C ATOM 200 CD1 LEU A 12 0.581 -4.641 4.754 1.00 0.00 C ATOM 201 CD2 LEU A 12 1.007 -4.034 2.334 1.00 0.00 C ATOM 0 H LEU A 12 -0.093 -9.341 3.431 1.00 0.00 H new ATOM 0 HA LEU A 12 -1.148 -6.790 4.416 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.403 -6.745 3.376 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.467 -6.592 1.902 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.874 -4.733 3.150 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.405 -3.587 4.968 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.019 -5.253 5.427 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.637 -4.870 4.900 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.817 -2.988 2.573 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.070 -4.246 2.452 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.710 -4.231 1.304 1.00 0.00 H new ATOM 213 N LYS A 13 -2.855 -6.898 2.597 1.00 0.00 N ATOM 214 CA LYS A 13 -3.938 -7.054 1.626 1.00 0.00 C ATOM 215 C LYS A 13 -4.643 -5.700 1.472 1.00 0.00 C ATOM 216 O LYS A 13 -4.891 -5.020 2.468 1.00 0.00 O ATOM 217 CB LYS A 13 -4.933 -8.149 2.058 1.00 0.00 C ATOM 218 CG LYS A 13 -4.229 -9.520 2.090 1.00 0.00 C ATOM 219 CD LYS A 13 -5.264 -10.630 2.326 1.00 0.00 C ATOM 220 CE LYS A 13 -4.573 -12.002 2.399 1.00 0.00 C ATOM 221 NZ LYS A 13 -4.032 -12.371 1.050 1.00 0.00 N ATOM 0 H LYS A 13 -3.020 -6.175 3.297 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.524 -7.370 0.669 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.338 -7.916 3.043 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.775 -8.180 1.367 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.705 -9.692 1.150 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.479 -9.536 2.880 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.806 -10.439 3.252 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.998 -10.628 1.521 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.765 -11.974 3.130 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.281 -12.759 2.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.206 -13.380 0.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.505 -11.802 0.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -3.009 -12.186 1.024 1.00 0.00 H new ATOM 235 N GLY A 14 -4.962 -5.296 0.241 1.00 0.00 N ATOM 236 CA GLY A 14 -5.630 -4.004 0.029 1.00 0.00 C ATOM 237 C GLY A 14 -5.599 -3.591 -1.444 1.00 0.00 C ATOM 238 O GLY A 14 -5.191 -4.368 -2.304 1.00 0.00 O ATOM 0 H GLY A 14 -4.775 -5.828 -0.609 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.664 -4.068 0.368 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.143 -3.238 0.633 1.00 0.00 H new ATOM 242 N GLU A 15 -6.059 -2.363 -1.743 1.00 0.00 N ATOM 243 CA GLU A 15 -6.089 -1.882 -3.137 1.00 0.00 C ATOM 244 C GLU A 15 -5.725 -0.388 -3.238 1.00 0.00 C ATOM 245 O GLU A 15 -6.290 0.439 -2.521 1.00 0.00 O ATOM 246 CB GLU A 15 -7.497 -2.059 -3.733 1.00 0.00 C ATOM 247 CG GLU A 15 -7.953 -3.525 -3.683 1.00 0.00 C ATOM 248 CD GLU A 15 -9.453 -3.585 -3.957 1.00 0.00 C ATOM 249 OE1 GLU A 15 -9.874 -3.330 -5.106 1.00 0.00 O ATOM 250 OE2 GLU A 15 -10.206 -3.751 -2.973 1.00 0.00 O ATOM 0 H GLU A 15 -6.409 -1.697 -1.054 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.355 -2.471 -3.686 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.205 -1.438 -3.184 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -7.502 -1.711 -4.766 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.411 -4.114 -4.423 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -7.730 -3.956 -2.707 1.00 0.00 H new ATOM 257 N THR A 16 -4.827 -0.035 -4.179 1.00 0.00 N ATOM 258 CA THR A 16 -4.451 1.381 -4.405 1.00 0.00 C ATOM 259 C THR A 16 -4.913 1.785 -5.806 1.00 0.00 C ATOM 260 O THR A 16 -5.276 0.919 -6.605 1.00 0.00 O ATOM 261 CB THR A 16 -2.925 1.628 -4.310 1.00 0.00 C ATOM 262 OG1 THR A 16 -2.331 1.363 -5.571 1.00 0.00 O ATOM 263 CG2 THR A 16 -2.247 0.743 -3.235 1.00 0.00 C ATOM 0 H THR A 16 -4.352 -0.699 -4.790 1.00 0.00 H new ATOM 0 HA THR A 16 -4.929 1.972 -3.624 1.00 0.00 H new ATOM 0 HB THR A 16 -2.779 2.668 -4.020 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.371 1.205 -5.454 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.178 0.956 -3.210 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.683 0.958 -2.259 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.402 -0.308 -3.478 1.00 0.00 H new ATOM 271 N THR A 17 -4.891 3.085 -6.133 1.00 0.00 N ATOM 272 CA THR A 17 -5.303 3.539 -7.465 1.00 0.00 C ATOM 273 C THR A 17 -4.421 4.725 -7.872 1.00 0.00 C ATOM 274 O THR A 17 -4.228 5.649 -7.084 1.00 0.00 O ATOM 275 CB THR A 17 -6.801 3.938 -7.434 1.00 0.00 C ATOM 276 OG1 THR A 17 -7.441 3.198 -6.403 1.00 0.00 O ATOM 277 CG2 THR A 17 -7.521 3.630 -8.766 1.00 0.00 C ATOM 0 H THR A 17 -4.596 3.830 -5.502 1.00 0.00 H new ATOM 0 HA THR A 17 -5.182 2.741 -8.198 1.00 0.00 H new ATOM 0 HB THR A 17 -6.856 5.013 -7.262 1.00 0.00 H new ATOM 0 HG1 THR A 17 -8.390 3.439 -6.368 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.567 3.928 -8.692 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.043 4.183 -9.574 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.462 2.561 -8.973 1.00 0.00 H new ATOM 285 N THR A 18 -3.879 4.701 -9.095 1.00 0.00 N ATOM 286 CA THR A 18 -3.011 5.795 -9.549 1.00 0.00 C ATOM 287 C THR A 18 -3.054 5.926 -11.059 1.00 0.00 C ATOM 288 O THR A 18 -3.117 4.928 -11.775 1.00 0.00 O ATOM 289 CB THR A 18 -1.543 5.556 -9.095 1.00 0.00 C ATOM 290 OG1 THR A 18 -0.924 6.813 -8.870 1.00 0.00 O ATOM 291 CG2 THR A 18 -0.716 4.788 -10.167 1.00 0.00 C ATOM 0 H THR A 18 -4.021 3.954 -9.775 1.00 0.00 H new ATOM 0 HA THR A 18 -3.380 6.718 -9.101 1.00 0.00 H new ATOM 0 HB THR A 18 -1.569 4.953 -8.187 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.002 6.675 -8.581 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.302 4.644 -9.806 1.00 0.00 H new ATOM 0 HG22 THR A 18 -1.175 3.817 -10.354 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.695 5.364 -11.092 1.00 0.00 H new ATOM 299 N GLU A 19 -2.965 7.150 -11.546 1.00 0.00 N ATOM 300 CA GLU A 19 -2.937 7.411 -12.967 1.00 0.00 C ATOM 301 C GLU A 19 -1.528 7.862 -13.272 1.00 0.00 C ATOM 302 O GLU A 19 -1.017 8.772 -12.621 1.00 0.00 O ATOM 303 CB GLU A 19 -3.932 8.526 -13.294 1.00 0.00 C ATOM 304 CG GLU A 19 -3.973 8.803 -14.799 1.00 0.00 C ATOM 305 CD GLU A 19 -5.035 9.862 -15.058 1.00 0.00 C ATOM 306 OE1 GLU A 19 -5.164 10.778 -14.214 1.00 0.00 O ATOM 307 OE2 GLU A 19 -5.817 9.688 -16.020 1.00 0.00 O ATOM 0 H GLU A 19 -2.910 7.987 -10.966 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.209 6.534 -13.555 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.926 8.245 -12.946 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.653 9.435 -12.761 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.000 9.147 -15.149 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.205 7.890 -15.348 1.00 0.00 H new ATOM 314 N ALA A 20 -0.865 7.182 -14.187 1.00 0.00 N ATOM 315 CA ALA A 20 0.532 7.490 -14.468 1.00 0.00 C ATOM 316 C ALA A 20 0.631 8.239 -15.774 1.00 0.00 C ATOM 317 O ALA A 20 -0.377 8.433 -16.456 1.00 0.00 O ATOM 318 CB ALA A 20 1.331 6.181 -14.517 1.00 0.00 C ATOM 0 H ALA A 20 -1.259 6.423 -14.743 1.00 0.00 H new ATOM 0 HA ALA A 20 0.946 8.123 -13.683 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.378 6.401 -14.727 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.253 5.671 -13.557 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.931 5.540 -15.302 1.00 0.00 H new ATOM 324 N VAL A 21 1.834 8.647 -16.148 1.00 0.00 N ATOM 325 CA VAL A 21 1.969 9.352 -17.396 1.00 0.00 C ATOM 326 C VAL A 21 1.512 8.424 -18.492 1.00 0.00 C ATOM 327 O VAL A 21 0.954 8.867 -19.497 1.00 0.00 O ATOM 328 CB VAL A 21 3.397 9.861 -17.633 1.00 0.00 C ATOM 329 CG1 VAL A 21 4.381 8.701 -17.608 1.00 0.00 C ATOM 330 CG2 VAL A 21 3.468 10.568 -18.989 1.00 0.00 C ATOM 0 H VAL A 21 2.697 8.506 -15.622 1.00 0.00 H new ATOM 0 HA VAL A 21 1.350 10.249 -17.379 1.00 0.00 H new ATOM 0 HB VAL A 21 3.660 10.562 -16.841 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.390 9.076 -17.777 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.336 8.206 -16.638 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.123 7.988 -18.391 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.482 10.930 -19.158 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.196 9.868 -19.779 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.776 11.410 -18.997 1.00 0.00 H new ATOM 340 N ASP A 22 1.718 7.114 -18.304 1.00 0.00 N ATOM 341 CA ASP A 22 1.290 6.143 -19.273 1.00 0.00 C ATOM 342 C ASP A 22 1.337 4.743 -18.646 1.00 0.00 C ATOM 343 O ASP A 22 1.851 4.532 -17.543 1.00 0.00 O ATOM 344 CB ASP A 22 2.186 6.146 -20.511 1.00 0.00 C ATOM 345 CG ASP A 22 1.679 5.082 -21.479 1.00 0.00 C ATOM 346 OD1 ASP A 22 0.449 5.067 -21.736 1.00 0.00 O ATOM 347 OD2 ASP A 22 2.469 4.216 -21.913 1.00 0.00 O ATOM 0 H ASP A 22 2.180 6.720 -17.484 1.00 0.00 H new ATOM 0 HA ASP A 22 0.276 6.403 -19.575 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.172 7.127 -20.986 1.00 0.00 H new ATOM 0 HB3 ASP A 22 3.219 5.942 -20.231 1.00 0.00 H new ATOM 352 N ALA A 23 0.735 3.830 -19.360 1.00 0.00 N ATOM 353 CA ALA A 23 0.628 2.450 -18.902 1.00 0.00 C ATOM 354 C ALA A 23 1.963 1.939 -18.403 1.00 0.00 C ATOM 355 O ALA A 23 2.002 1.348 -17.344 1.00 0.00 O ATOM 356 CB ALA A 23 0.126 1.543 -20.028 1.00 0.00 C ATOM 0 H ALA A 23 0.305 4.008 -20.268 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.088 2.431 -18.080 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.054 0.518 -19.665 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.856 1.882 -20.357 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.823 1.583 -20.865 1.00 0.00 H new ATOM 362 N ALA A 24 3.036 2.206 -19.138 1.00 0.00 N ATOM 363 CA ALA A 24 4.371 1.770 -18.745 1.00 0.00 C ATOM 364 C ALA A 24 4.773 2.354 -17.404 1.00 0.00 C ATOM 365 O ALA A 24 5.378 1.679 -16.568 1.00 0.00 O ATOM 366 CB ALA A 24 5.381 2.220 -19.802 1.00 0.00 C ATOM 0 H ALA A 24 3.007 2.726 -20.015 1.00 0.00 H new ATOM 0 HA ALA A 24 4.360 0.683 -18.660 1.00 0.00 H new ATOM 0 HB1 ALA A 24 6.380 1.896 -19.512 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.122 1.779 -20.764 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.362 3.307 -19.884 1.00 0.00 H new ATOM 372 N THR A 25 4.436 3.612 -17.212 1.00 0.00 N ATOM 373 CA THR A 25 4.784 4.265 -15.965 1.00 0.00 C ATOM 374 C THR A 25 4.051 3.574 -14.811 1.00 0.00 C ATOM 375 O THR A 25 4.685 3.158 -13.844 1.00 0.00 O ATOM 376 CB THR A 25 4.507 5.769 -16.035 1.00 0.00 C ATOM 377 OG1 THR A 25 5.286 6.297 -17.098 1.00 0.00 O ATOM 378 CG2 THR A 25 4.930 6.460 -14.722 1.00 0.00 C ATOM 0 H THR A 25 3.934 4.192 -17.884 1.00 0.00 H new ATOM 0 HA THR A 25 5.854 4.169 -15.784 1.00 0.00 H new ATOM 0 HB THR A 25 3.442 5.942 -16.192 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.092 6.720 -16.734 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.725 7.528 -14.791 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.368 6.036 -13.890 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.996 6.305 -14.556 1.00 0.00 H new ATOM 386 N ALA A 26 2.727 3.441 -14.896 1.00 0.00 N ATOM 387 CA ALA A 26 2.003 2.780 -13.809 1.00 0.00 C ATOM 388 C ALA A 26 2.654 1.426 -13.534 1.00 0.00 C ATOM 389 O ALA A 26 2.780 1.011 -12.387 1.00 0.00 O ATOM 390 CB ALA A 26 0.518 2.603 -14.155 1.00 0.00 C ATOM 0 H ALA A 26 2.152 3.767 -15.673 1.00 0.00 H new ATOM 0 HA ALA A 26 2.056 3.403 -12.916 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.008 2.109 -13.328 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.066 3.580 -14.329 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.424 1.994 -15.054 1.00 0.00 H new ATOM 396 N GLU A 27 3.183 0.807 -14.587 1.00 0.00 N ATOM 397 CA GLU A 27 3.939 -0.452 -14.359 1.00 0.00 C ATOM 398 C GLU A 27 5.232 -0.094 -13.634 1.00 0.00 C ATOM 399 O GLU A 27 5.673 -0.791 -12.710 1.00 0.00 O ATOM 400 CB GLU A 27 4.363 -1.285 -15.625 1.00 0.00 C ATOM 401 CG GLU A 27 3.458 -1.082 -16.832 1.00 0.00 C ATOM 402 CD GLU A 27 2.255 -2.017 -16.822 1.00 0.00 C ATOM 403 OE1 GLU A 27 2.451 -3.245 -16.698 1.00 0.00 O ATOM 404 OE2 GLU A 27 1.118 -1.516 -16.985 1.00 0.00 O ATOM 0 H GLU A 27 3.118 1.120 -15.556 1.00 0.00 H new ATOM 0 HA GLU A 27 3.243 -1.084 -13.807 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.383 -1.016 -15.899 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.372 -2.343 -15.364 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.111 -0.049 -16.853 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.032 -1.244 -17.744 1.00 0.00 H new ATOM 411 N LYS A 28 5.842 1.007 -14.072 1.00 0.00 N ATOM 412 CA LYS A 28 7.115 1.444 -13.489 1.00 0.00 C ATOM 413 C LYS A 28 6.999 1.731 -12.005 1.00 0.00 C ATOM 414 O LYS A 28 7.821 1.257 -11.220 1.00 0.00 O ATOM 415 CB LYS A 28 7.608 2.716 -14.199 1.00 0.00 C ATOM 416 CG LYS A 28 9.079 3.007 -13.820 1.00 0.00 C ATOM 417 CD LYS A 28 9.383 4.511 -13.960 1.00 0.00 C ATOM 418 CE LYS A 28 8.946 5.267 -12.693 1.00 0.00 C ATOM 419 NZ LYS A 28 9.437 6.676 -12.758 1.00 0.00 N ATOM 0 H LYS A 28 5.484 1.606 -14.816 1.00 0.00 H new ATOM 0 HA LYS A 28 7.824 0.627 -13.625 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.521 2.595 -15.279 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.980 3.562 -13.921 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.268 2.685 -12.796 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.747 2.433 -14.462 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.450 4.659 -14.130 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.863 4.914 -14.829 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.860 5.253 -12.605 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.344 4.773 -11.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.141 7.186 -11.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.475 6.679 -12.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.037 7.145 -13.596 1.00 0.00 H new ATOM 433 N VAL A 29 6.031 2.544 -11.615 1.00 0.00 N ATOM 434 CA VAL A 29 5.914 2.906 -10.213 1.00 0.00 C ATOM 435 C VAL A 29 5.543 1.707 -9.345 1.00 0.00 C ATOM 436 O VAL A 29 6.234 1.405 -8.377 1.00 0.00 O ATOM 437 CB VAL A 29 4.920 4.076 -10.072 1.00 0.00 C ATOM 438 CG1 VAL A 29 3.462 3.616 -10.045 1.00 0.00 C ATOM 439 CG2 VAL A 29 5.206 4.879 -8.805 1.00 0.00 C ATOM 0 H VAL A 29 5.331 2.957 -12.232 1.00 0.00 H new ATOM 0 HA VAL A 29 6.885 3.238 -9.846 1.00 0.00 H new ATOM 0 HB VAL A 29 5.062 4.699 -10.955 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.809 4.483 -9.944 1.00 0.00 H new ATOM 0 HG12 VAL A 29 3.229 3.092 -10.972 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.308 2.945 -9.200 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.493 5.700 -8.726 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.111 4.230 -7.934 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.218 5.281 -8.850 1.00 0.00 H new ATOM 449 N PHE A 30 4.429 1.079 -9.651 1.00 0.00 N ATOM 450 CA PHE A 30 3.959 -0.026 -8.834 1.00 0.00 C ATOM 451 C PHE A 30 5.070 -1.096 -8.660 1.00 0.00 C ATOM 452 O PHE A 30 5.198 -1.677 -7.574 1.00 0.00 O ATOM 453 CB PHE A 30 2.708 -0.651 -9.459 1.00 0.00 C ATOM 454 CG PHE A 30 1.445 0.204 -9.344 1.00 0.00 C ATOM 455 CD1 PHE A 30 1.002 0.756 -8.126 1.00 0.00 C ATOM 456 CD2 PHE A 30 0.682 0.402 -10.514 1.00 0.00 C ATOM 457 CE1 PHE A 30 -0.193 1.495 -8.074 1.00 0.00 C ATOM 458 CE2 PHE A 30 -0.510 1.147 -10.461 1.00 0.00 C ATOM 459 CZ PHE A 30 -0.940 1.698 -9.245 1.00 0.00 C ATOM 0 H PHE A 30 3.836 1.308 -10.449 1.00 0.00 H new ATOM 0 HA PHE A 30 3.703 0.361 -7.848 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.904 -0.847 -10.513 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.523 -1.615 -8.984 1.00 0.00 H new ATOM 0 HD1 PHE A 30 1.583 0.611 -7.227 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.014 -0.019 -11.452 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.535 1.905 -7.136 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.094 1.295 -11.357 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.849 2.280 -9.209 1.00 0.00 H new ATOM 469 N LYS A 31 5.936 -1.303 -9.675 1.00 0.00 N ATOM 470 CA LYS A 31 7.056 -2.256 -9.486 1.00 0.00 C ATOM 471 C LYS A 31 8.001 -1.739 -8.420 1.00 0.00 C ATOM 472 O LYS A 31 8.481 -2.497 -7.577 1.00 0.00 O ATOM 473 CB LYS A 31 7.848 -2.517 -10.775 1.00 0.00 C ATOM 474 CG LYS A 31 7.054 -3.451 -11.699 1.00 0.00 C ATOM 475 CD LYS A 31 7.936 -3.927 -12.875 1.00 0.00 C ATOM 476 CE LYS A 31 7.445 -5.296 -13.382 1.00 0.00 C ATOM 477 NZ LYS A 31 8.055 -6.380 -12.561 1.00 0.00 N ATOM 0 H LYS A 31 5.891 -0.851 -10.588 1.00 0.00 H new ATOM 0 HA LYS A 31 6.610 -3.202 -9.180 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.051 -1.575 -11.284 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.813 -2.964 -10.535 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.695 -4.312 -11.134 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.175 -2.932 -12.082 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.903 -3.197 -13.684 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.975 -4.000 -12.554 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.358 -5.349 -13.323 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.714 -5.425 -14.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.723 -7.304 -12.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.091 -6.334 -12.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.777 -6.260 -11.566 1.00 0.00 H new ATOM 491 N GLN A 32 8.273 -0.447 -8.471 1.00 0.00 N ATOM 492 CA GLN A 32 9.188 0.157 -7.504 1.00 0.00 C ATOM 493 C GLN A 32 8.853 -0.372 -6.089 1.00 0.00 C ATOM 494 O GLN A 32 9.746 -0.734 -5.322 1.00 0.00 O ATOM 495 CB GLN A 32 9.066 1.711 -7.571 1.00 0.00 C ATOM 496 CG GLN A 32 10.451 2.422 -7.437 1.00 0.00 C ATOM 497 CD GLN A 32 11.079 2.728 -8.809 1.00 0.00 C ATOM 498 OE1 GLN A 32 12.295 2.593 -8.860 1.00 0.00 O ATOM 499 NE2 GLN A 32 10.361 2.626 -9.907 1.00 0.00 N ATOM 0 H GLN A 32 7.884 0.199 -9.157 1.00 0.00 H new ATOM 0 HA GLN A 32 10.218 -0.113 -7.739 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.604 1.996 -8.516 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.405 2.056 -6.776 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.329 3.350 -6.879 1.00 0.00 H new ATOM 0 HG3 GLN A 32 11.128 1.791 -6.861 1.00 0.00 H new ATOM 0 HE21 GLN A 32 9.348 2.738 -9.866 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.817 2.435 -10.799 1.00 0.00 H new ATOM 508 N TYR A 33 7.563 -0.358 -5.747 1.00 0.00 N ATOM 509 CA TYR A 33 7.102 -0.777 -4.417 1.00 0.00 C ATOM 510 C TYR A 33 7.146 -2.296 -4.213 1.00 0.00 C ATOM 511 O TYR A 33 7.632 -2.786 -3.194 1.00 0.00 O ATOM 512 CB TYR A 33 5.628 -0.326 -4.212 1.00 0.00 C ATOM 513 CG TYR A 33 5.510 1.191 -4.123 1.00 0.00 C ATOM 514 CD1 TYR A 33 5.967 2.016 -5.171 1.00 0.00 C ATOM 515 CD2 TYR A 33 4.971 1.791 -2.965 1.00 0.00 C ATOM 516 CE1 TYR A 33 5.905 3.416 -5.063 1.00 0.00 C ATOM 517 CE2 TYR A 33 4.899 3.197 -2.861 1.00 0.00 C ATOM 518 CZ TYR A 33 5.364 4.006 -3.911 1.00 0.00 C ATOM 519 OH TYR A 33 5.282 5.378 -3.816 1.00 0.00 O ATOM 0 H TYR A 33 6.815 -0.060 -6.373 1.00 0.00 H new ATOM 0 HA TYR A 33 7.779 -0.312 -3.700 1.00 0.00 H new ATOM 0 HB2 TYR A 33 5.018 -0.691 -5.038 1.00 0.00 H new ATOM 0 HB3 TYR A 33 5.233 -0.776 -3.301 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.369 1.567 -6.067 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.612 1.172 -2.156 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.274 4.037 -5.866 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.486 3.651 -1.973 1.00 0.00 H new ATOM 0 HH TYR A 33 4.882 5.623 -2.955 1.00 0.00 H new ATOM 529 N PHE A 34 6.528 -3.022 -5.136 1.00 0.00 N ATOM 530 CA PHE A 34 6.401 -4.472 -4.968 1.00 0.00 C ATOM 531 C PHE A 34 7.581 -5.302 -5.467 1.00 0.00 C ATOM 532 O PHE A 34 7.406 -6.367 -6.065 1.00 0.00 O ATOM 533 CB PHE A 34 5.082 -4.935 -5.545 1.00 0.00 C ATOM 534 CG PHE A 34 4.010 -4.111 -4.866 1.00 0.00 C ATOM 535 CD1 PHE A 34 3.723 -4.462 -3.532 1.00 0.00 C ATOM 536 CD2 PHE A 34 3.313 -3.045 -5.468 1.00 0.00 C ATOM 537 CE1 PHE A 34 2.770 -3.736 -2.797 1.00 0.00 C ATOM 538 CE2 PHE A 34 2.358 -2.321 -4.733 1.00 0.00 C ATOM 539 CZ PHE A 34 2.090 -2.662 -3.394 1.00 0.00 C ATOM 0 H PHE A 34 6.115 -2.647 -5.990 1.00 0.00 H new ATOM 0 HA PHE A 34 6.417 -4.654 -3.893 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.058 -4.791 -6.625 1.00 0.00 H new ATOM 0 HB3 PHE A 34 4.929 -5.999 -5.362 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.238 -5.293 -3.072 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.513 -2.783 -6.497 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.560 -4.004 -1.772 1.00 0.00 H new ATOM 0 HE2 PHE A 34 1.829 -1.502 -5.197 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.363 -2.099 -2.827 1.00 0.00 H new ATOM 549 N ASN A 35 8.782 -4.794 -5.217 1.00 0.00 N ATOM 550 CA ASN A 35 10.012 -5.432 -5.628 1.00 0.00 C ATOM 551 C ASN A 35 10.761 -6.118 -4.451 1.00 0.00 C ATOM 552 O ASN A 35 11.738 -6.826 -4.704 1.00 0.00 O ATOM 553 CB ASN A 35 10.830 -4.295 -6.268 1.00 0.00 C ATOM 554 CG ASN A 35 12.310 -4.349 -6.001 1.00 0.00 C ATOM 555 OD1 ASN A 35 12.655 -3.741 -4.995 1.00 0.00 O ATOM 556 ND2 ASN A 35 13.164 -4.565 -6.978 1.00 0.00 N ATOM 0 H ASN A 35 8.923 -3.916 -4.717 1.00 0.00 H new ATOM 0 HA ASN A 35 9.832 -6.252 -6.323 1.00 0.00 H new ATOM 0 HB2 ASN A 35 10.669 -4.314 -7.346 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.445 -3.342 -5.905 1.00 0.00 H new ATOM 0 HD21 ASN A 35 14.123 -4.225 -6.902 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.867 -5.072 -7.812 1.00 0.00 H new ATOM 563 N ASP A 36 10.361 -5.904 -3.159 1.00 0.00 N ATOM 564 CA ASP A 36 11.160 -6.537 -2.066 1.00 0.00 C ATOM 565 C ASP A 36 10.563 -6.627 -0.653 1.00 0.00 C ATOM 566 O ASP A 36 11.068 -7.375 0.115 1.00 0.00 O ATOM 567 CB ASP A 36 12.401 -5.704 -1.979 1.00 0.00 C ATOM 568 CG ASP A 36 13.215 -5.806 -0.660 1.00 0.00 C ATOM 569 OD1 ASP A 36 12.787 -4.846 0.025 1.00 0.00 O ATOM 570 OD2 ASP A 36 14.444 -5.989 -0.846 1.00 0.00 O ATOM 0 H ASP A 36 9.559 -5.346 -2.866 1.00 0.00 H new ATOM 0 HA ASP A 36 11.267 -7.585 -2.346 1.00 0.00 H new ATOM 0 HB2 ASP A 36 13.056 -5.980 -2.806 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.122 -4.661 -2.128 1.00 0.00 H new ATOM 575 N ASN A 37 9.475 -6.009 -0.376 1.00 0.00 N ATOM 576 CA ASN A 37 8.783 -6.131 0.930 1.00 0.00 C ATOM 577 C ASN A 37 8.419 -7.623 1.214 1.00 0.00 C ATOM 578 O ASN A 37 7.319 -7.946 1.663 1.00 0.00 O ATOM 579 CB ASN A 37 7.525 -5.258 0.855 1.00 0.00 C ATOM 580 CG ASN A 37 7.083 -5.238 -0.586 1.00 0.00 C ATOM 581 OD1 ASN A 37 6.777 -6.358 -0.969 1.00 0.00 O ATOM 582 ND2 ASN A 37 6.540 -4.204 -1.185 1.00 0.00 N ATOM 0 H ASN A 37 9.004 -5.387 -1.033 1.00 0.00 H new ATOM 0 HA ASN A 37 9.424 -5.799 1.747 1.00 0.00 H new ATOM 0 HB2 ASN A 37 6.738 -5.661 1.493 1.00 0.00 H new ATOM 0 HB3 ASN A 37 7.736 -4.248 1.207 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.880 -4.346 -1.950 1.00 0.00 H new ATOM 0 HD22 ASN A 37 6.778 -3.258 -0.886 1.00 0.00 H new ATOM 589 N GLY A 38 9.372 -8.509 0.933 1.00 0.00 N ATOM 590 CA GLY A 38 9.214 -9.948 1.129 1.00 0.00 C ATOM 591 C GLY A 38 8.123 -10.499 0.222 1.00 0.00 C ATOM 592 O GLY A 38 8.130 -11.677 -0.141 1.00 0.00 O ATOM 0 H GLY A 38 10.284 -8.246 0.559 1.00 0.00 H new ATOM 0 HA2 GLY A 38 10.157 -10.454 0.921 1.00 0.00 H new ATOM 0 HA3 GLY A 38 8.966 -10.153 2.170 1.00 0.00 H new ATOM 596 N VAL A 39 7.186 -9.636 -0.145 1.00 0.00 N ATOM 597 CA VAL A 39 6.101 -10.034 -1.007 1.00 0.00 C ATOM 598 C VAL A 39 6.667 -10.429 -2.371 1.00 0.00 C ATOM 599 O VAL A 39 6.293 -11.472 -2.910 1.00 0.00 O ATOM 600 CB VAL A 39 5.076 -8.867 -1.100 1.00 0.00 C ATOM 601 CG1 VAL A 39 5.243 -8.058 -2.383 1.00 0.00 C ATOM 602 CG2 VAL A 39 3.626 -9.372 -1.059 1.00 0.00 C ATOM 0 H VAL A 39 7.162 -8.658 0.145 1.00 0.00 H new ATOM 0 HA VAL A 39 5.576 -10.902 -0.607 1.00 0.00 H new ATOM 0 HB VAL A 39 5.278 -8.237 -0.234 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.507 -7.254 -2.405 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.246 -7.632 -2.417 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.096 -8.709 -3.245 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.944 -8.525 -1.127 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.452 -10.046 -1.898 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.452 -9.904 -0.124 1.00 0.00 H new ATOM 612 N ASP A 40 7.578 -9.577 -2.906 1.00 0.00 N ATOM 613 CA ASP A 40 8.223 -9.798 -4.219 1.00 0.00 C ATOM 614 C ASP A 40 7.335 -10.708 -5.066 1.00 0.00 C ATOM 615 O ASP A 40 7.786 -11.676 -5.677 1.00 0.00 O ATOM 616 CB ASP A 40 9.616 -10.417 -4.026 1.00 0.00 C ATOM 617 CG ASP A 40 9.536 -11.919 -3.760 1.00 0.00 C ATOM 618 OD1 ASP A 40 8.716 -12.369 -2.923 1.00 0.00 O ATOM 619 OD2 ASP A 40 10.302 -12.676 -4.409 1.00 0.00 O ATOM 0 H ASP A 40 7.883 -8.723 -2.440 1.00 0.00 H new ATOM 0 HA ASP A 40 8.347 -8.845 -4.734 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.220 -10.237 -4.915 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.120 -9.926 -3.193 1.00 0.00 H new ATOM 624 N GLY A 41 6.047 -10.425 -4.970 1.00 0.00 N ATOM 625 CA GLY A 41 5.016 -11.234 -5.585 1.00 0.00 C ATOM 626 C GLY A 41 5.116 -11.406 -7.083 1.00 0.00 C ATOM 627 O GLY A 41 5.833 -10.686 -7.777 1.00 0.00 O ATOM 0 H GLY A 41 5.687 -9.620 -4.458 1.00 0.00 H new ATOM 0 HA2 GLY A 41 5.033 -12.221 -5.124 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.047 -10.791 -5.354 1.00 0.00 H new ATOM 631 N GLU A 42 4.329 -12.373 -7.564 1.00 0.00 N ATOM 632 CA GLU A 42 4.248 -12.661 -8.978 1.00 0.00 C ATOM 633 C GLU A 42 3.512 -11.518 -9.620 1.00 0.00 C ATOM 634 O GLU A 42 2.359 -11.245 -9.284 1.00 0.00 O ATOM 635 CB GLU A 42 3.469 -13.968 -9.223 1.00 0.00 C ATOM 636 CG GLU A 42 4.396 -15.172 -9.103 1.00 0.00 C ATOM 637 CD GLU A 42 4.759 -15.435 -7.643 1.00 0.00 C ATOM 638 OE1 GLU A 42 3.970 -15.080 -6.740 1.00 0.00 O ATOM 639 OE2 GLU A 42 5.830 -16.043 -7.414 1.00 0.00 O ATOM 0 H GLU A 42 3.739 -12.967 -6.981 1.00 0.00 H new ATOM 0 HA GLU A 42 5.248 -12.780 -9.396 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.656 -14.054 -8.502 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.016 -13.948 -10.214 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.912 -16.052 -9.526 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.303 -14.997 -9.682 1.00 0.00 H new ATOM 646 N TRP A 43 4.160 -10.842 -10.539 1.00 0.00 N ATOM 647 CA TRP A 43 3.535 -9.725 -11.200 1.00 0.00 C ATOM 648 C TRP A 43 2.611 -10.119 -12.300 1.00 0.00 C ATOM 649 O TRP A 43 2.846 -11.062 -13.054 1.00 0.00 O ATOM 650 CB TRP A 43 4.601 -8.765 -11.719 1.00 0.00 C ATOM 651 CG TRP A 43 4.707 -7.698 -10.764 1.00 0.00 C ATOM 652 CD1 TRP A 43 5.062 -7.829 -9.466 1.00 0.00 C ATOM 653 CD2 TRP A 43 4.472 -6.268 -10.964 1.00 0.00 C ATOM 654 NE1 TRP A 43 5.035 -6.599 -8.842 1.00 0.00 N ATOM 655 CE2 TRP A 43 4.662 -5.603 -9.714 1.00 0.00 C ATOM 656 CE3 TRP A 43 4.103 -5.465 -12.068 1.00 0.00 C ATOM 657 CZ2 TRP A 43 4.474 -4.223 -9.560 1.00 0.00 C ATOM 658 CZ3 TRP A 43 3.930 -4.073 -11.928 1.00 0.00 C ATOM 659 CH2 TRP A 43 4.108 -3.457 -10.677 1.00 0.00 C ATOM 0 H TRP A 43 5.112 -11.045 -10.843 1.00 0.00 H new ATOM 0 HA TRP A 43 2.916 -9.229 -10.452 1.00 0.00 H new ATOM 0 HB2 TRP A 43 5.557 -9.276 -11.834 1.00 0.00 H new ATOM 0 HB3 TRP A 43 4.327 -8.378 -12.700 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.328 -8.760 -8.988 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.263 -6.448 -7.859 1.00 0.00 H new ATOM 0 HE3 TRP A 43 3.951 -5.925 -13.033 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 4.609 -3.756 -8.596 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.659 -3.476 -12.787 1.00 0.00 H new ATOM 0 HH2 TRP A 43 3.963 -2.392 -10.576 1.00 0.00 H new ATOM 670 N THR A 44 1.569 -9.319 -12.397 1.00 0.00 N ATOM 671 CA THR A 44 0.578 -9.483 -13.427 1.00 0.00 C ATOM 672 C THR A 44 0.021 -8.128 -13.809 1.00 0.00 C ATOM 673 O THR A 44 0.014 -7.196 -13.001 1.00 0.00 O ATOM 674 CB THR A 44 -0.515 -10.434 -12.935 1.00 0.00 C ATOM 675 OG1 THR A 44 -0.419 -10.553 -11.522 1.00 0.00 O ATOM 676 CG2 THR A 44 -0.306 -11.799 -13.561 1.00 0.00 C ATOM 0 H THR A 44 1.390 -8.540 -11.763 1.00 0.00 H new ATOM 0 HA THR A 44 1.025 -9.923 -14.319 1.00 0.00 H new ATOM 0 HB THR A 44 -1.496 -10.047 -13.212 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.250 -9.671 -11.130 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.082 -12.481 -13.214 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.357 -11.713 -14.646 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.672 -12.185 -13.273 1.00 0.00 H new ATOM 684 N TYR A 45 -0.426 -8.007 -15.046 1.00 0.00 N ATOM 685 CA TYR A 45 -0.966 -6.760 -15.546 1.00 0.00 C ATOM 686 C TYR A 45 -2.225 -7.034 -16.361 1.00 0.00 C ATOM 687 O TYR A 45 -2.227 -7.910 -17.223 1.00 0.00 O ATOM 688 CB TYR A 45 0.099 -6.131 -16.429 1.00 0.00 C ATOM 689 CG TYR A 45 -0.363 -4.789 -16.964 1.00 0.00 C ATOM 690 CD1 TYR A 45 -0.779 -3.777 -16.080 1.00 0.00 C ATOM 691 CD2 TYR A 45 -0.393 -4.547 -18.353 1.00 0.00 C ATOM 692 CE1 TYR A 45 -1.205 -2.529 -16.569 1.00 0.00 C ATOM 693 CE2 TYR A 45 -0.810 -3.294 -18.841 1.00 0.00 C ATOM 694 CZ TYR A 45 -1.211 -2.286 -17.951 1.00 0.00 C ATOM 695 OH TYR A 45 -1.628 -1.065 -18.439 1.00 0.00 O ATOM 0 H TYR A 45 -0.424 -8.766 -15.727 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.230 -6.092 -14.726 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.019 -6.002 -15.860 1.00 0.00 H new ATOM 0 HB3 TYR A 45 0.329 -6.798 -17.260 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -0.771 -3.960 -15.016 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -0.096 -5.323 -19.043 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -1.527 -1.760 -15.883 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -0.821 -3.108 -19.905 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.931 -0.502 -17.696 1.00 0.00 H new ATOM 705 N ASP A 46 -3.287 -6.264 -16.115 1.00 0.00 N ATOM 706 CA ASP A 46 -4.534 -6.413 -16.874 1.00 0.00 C ATOM 707 C ASP A 46 -4.949 -5.074 -17.468 1.00 0.00 C ATOM 708 O ASP A 46 -5.140 -4.109 -16.727 1.00 0.00 O ATOM 709 CB ASP A 46 -5.652 -6.964 -15.979 1.00 0.00 C ATOM 710 CG ASP A 46 -5.908 -6.065 -14.773 1.00 0.00 C ATOM 711 OD1 ASP A 46 -6.312 -4.890 -14.949 1.00 0.00 O ATOM 712 OD2 ASP A 46 -5.722 -6.544 -13.627 1.00 0.00 O ATOM 0 H ASP A 46 -3.311 -5.535 -15.402 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.361 -7.122 -17.684 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -6.569 -7.061 -16.561 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -5.384 -7.964 -15.637 1.00 0.00 H new ATOM 717 N ASP A 47 -5.100 -4.969 -18.788 1.00 0.00 N ATOM 718 CA ASP A 47 -5.516 -3.699 -19.368 1.00 0.00 C ATOM 719 C ASP A 47 -7.032 -3.565 -19.191 1.00 0.00 C ATOM 720 O ASP A 47 -7.534 -2.519 -18.790 1.00 0.00 O ATOM 721 CB ASP A 47 -5.116 -3.672 -20.860 1.00 0.00 C ATOM 722 CG ASP A 47 -4.621 -2.285 -21.272 1.00 0.00 C ATOM 723 OD1 ASP A 47 -5.059 -1.277 -20.671 1.00 0.00 O ATOM 724 OD2 ASP A 47 -3.751 -2.207 -22.172 1.00 0.00 O ATOM 0 H ASP A 47 -4.945 -5.724 -19.456 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.029 -2.859 -18.873 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.335 -4.410 -21.044 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.971 -3.954 -21.474 1.00 0.00 H new ATOM 729 N ALA A 48 -7.757 -4.613 -19.591 1.00 0.00 N ATOM 730 CA ALA A 48 -9.227 -4.601 -19.565 1.00 0.00 C ATOM 731 C ALA A 48 -9.756 -3.986 -18.279 1.00 0.00 C ATOM 732 O ALA A 48 -10.911 -3.567 -18.212 1.00 0.00 O ATOM 733 CB ALA A 48 -9.756 -6.032 -19.656 1.00 0.00 C ATOM 0 H ALA A 48 -7.352 -5.483 -19.938 1.00 0.00 H new ATOM 0 HA ALA A 48 -9.564 -4.005 -20.413 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -10.846 -6.019 -19.636 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.415 -6.487 -20.586 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -9.385 -6.612 -18.811 1.00 0.00 H new ATOM 739 N THR A 49 -8.876 -3.835 -17.308 1.00 0.00 N ATOM 740 CA THR A 49 -9.231 -3.161 -16.059 1.00 0.00 C ATOM 741 C THR A 49 -8.167 -2.099 -15.756 1.00 0.00 C ATOM 742 O THR A 49 -8.346 -1.255 -14.878 1.00 0.00 O ATOM 743 CB THR A 49 -9.368 -4.166 -14.899 1.00 0.00 C ATOM 744 OG1 THR A 49 -8.332 -3.949 -13.973 1.00 0.00 O ATOM 745 CG2 THR A 49 -9.277 -5.602 -15.416 1.00 0.00 C ATOM 0 H THR A 49 -7.912 -4.166 -17.352 1.00 0.00 H new ATOM 0 HA THR A 49 -10.202 -2.679 -16.170 1.00 0.00 H new ATOM 0 HB THR A 49 -10.339 -4.020 -14.425 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.513 -4.384 -14.290 1.00 0.00 H new ATOM 0 HG21 THR A 49 -9.376 -6.296 -14.581 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.077 -5.782 -16.134 1.00 0.00 H new ATOM 0 HG23 THR A 49 -8.313 -5.754 -15.901 1.00 0.00 H new ATOM 753 N LYS A 50 -7.042 -2.177 -16.475 1.00 0.00 N ATOM 754 CA LYS A 50 -5.944 -1.251 -16.264 1.00 0.00 C ATOM 755 C LYS A 50 -5.459 -1.426 -14.842 1.00 0.00 C ATOM 756 O LYS A 50 -5.060 -0.477 -14.183 1.00 0.00 O ATOM 757 CB LYS A 50 -6.392 0.205 -16.470 1.00 0.00 C ATOM 758 CG LYS A 50 -7.197 0.369 -17.782 1.00 0.00 C ATOM 759 CD LYS A 50 -8.717 0.139 -17.567 1.00 0.00 C ATOM 760 CE LYS A 50 -9.525 1.140 -18.409 1.00 0.00 C ATOM 761 NZ LYS A 50 -9.038 1.124 -19.818 1.00 0.00 N ATOM 0 H LYS A 50 -6.876 -2.872 -17.203 1.00 0.00 H new ATOM 0 HA LYS A 50 -5.153 -1.462 -16.983 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.003 0.522 -15.625 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.518 0.856 -16.494 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.035 1.369 -18.183 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.826 -0.336 -18.525 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.982 -0.881 -17.846 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.965 0.255 -16.512 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.584 0.884 -18.378 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.427 2.142 -17.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.804 1.425 -20.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.233 1.775 -19.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.737 0.161 -20.070 1.00 0.00 H new ATOM 775 N THR A 51 -5.538 -2.658 -14.363 1.00 0.00 N ATOM 776 CA THR A 51 -5.152 -2.959 -12.983 1.00 0.00 C ATOM 777 C THR A 51 -3.960 -3.883 -12.911 1.00 0.00 C ATOM 778 O THR A 51 -3.739 -4.732 -13.775 1.00 0.00 O ATOM 779 CB THR A 51 -6.342 -3.585 -12.250 1.00 0.00 C ATOM 780 OG1 THR A 51 -7.442 -2.690 -12.320 1.00 0.00 O ATOM 781 CG2 THR A 51 -6.018 -3.838 -10.778 1.00 0.00 C ATOM 0 H THR A 51 -5.862 -3.463 -14.900 1.00 0.00 H new ATOM 0 HA THR A 51 -4.863 -2.023 -12.505 1.00 0.00 H new ATOM 0 HB THR A 51 -6.576 -4.538 -12.725 1.00 0.00 H new ATOM 0 HG1 THR A 51 -8.016 -2.936 -13.075 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.883 -4.283 -10.286 1.00 0.00 H new ATOM 0 HG22 THR A 51 -5.169 -4.518 -10.704 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.770 -2.894 -10.293 1.00 0.00 H new ATOM 789 N PHE A 52 -3.224 -3.720 -11.827 1.00 0.00 N ATOM 790 CA PHE A 52 -2.055 -4.520 -11.526 1.00 0.00 C ATOM 791 C PHE A 52 -2.463 -5.590 -10.550 1.00 0.00 C ATOM 792 O PHE A 52 -3.411 -5.408 -9.784 1.00 0.00 O ATOM 793 CB PHE A 52 -0.948 -3.654 -10.938 1.00 0.00 C ATOM 794 CG PHE A 52 -0.369 -2.825 -12.040 1.00 0.00 C ATOM 795 CD1 PHE A 52 -0.948 -1.579 -12.348 1.00 0.00 C ATOM 796 CD2 PHE A 52 0.731 -3.288 -12.786 1.00 0.00 C ATOM 797 CE1 PHE A 52 -0.429 -0.797 -13.397 1.00 0.00 C ATOM 798 CE2 PHE A 52 1.243 -2.512 -13.841 1.00 0.00 C ATOM 799 CZ PHE A 52 0.660 -1.272 -14.149 1.00 0.00 C ATOM 0 H PHE A 52 -3.427 -3.014 -11.119 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.667 -4.972 -12.439 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.344 -3.015 -10.149 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.177 -4.278 -10.486 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -1.793 -1.222 -11.778 1.00 0.00 H new ATOM 0 HD2 PHE A 52 1.182 -4.240 -12.548 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.866 0.164 -13.623 1.00 0.00 H new ATOM 0 HE2 PHE A 52 2.085 -2.870 -14.415 1.00 0.00 H new ATOM 0 HZ PHE A 52 1.049 -0.682 -14.965 1.00 0.00 H new ATOM 809 N THR A 53 -1.736 -6.688 -10.542 1.00 0.00 N ATOM 810 CA THR A 53 -2.021 -7.759 -9.609 1.00 0.00 C ATOM 811 C THR A 53 -0.725 -8.182 -8.945 1.00 0.00 C ATOM 812 O THR A 53 0.154 -8.765 -9.580 1.00 0.00 O ATOM 813 CB THR A 53 -2.679 -8.918 -10.359 1.00 0.00 C ATOM 814 OG1 THR A 53 -4.015 -8.562 -10.679 1.00 0.00 O ATOM 815 CG2 THR A 53 -2.684 -10.183 -9.504 1.00 0.00 C ATOM 0 H THR A 53 -0.948 -6.862 -11.166 1.00 0.00 H new ATOM 0 HA THR A 53 -2.712 -7.428 -8.834 1.00 0.00 H new ATOM 0 HB THR A 53 -2.112 -9.117 -11.268 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.443 -9.299 -11.162 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.157 -10.994 -10.057 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.659 -10.460 -9.259 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.240 -9.999 -8.585 1.00 0.00 H new ATOM 823 N VAL A 54 -0.632 -7.915 -7.646 1.00 0.00 N ATOM 824 CA VAL A 54 0.546 -8.292 -6.861 1.00 0.00 C ATOM 825 C VAL A 54 0.234 -9.607 -6.161 1.00 0.00 C ATOM 826 O VAL A 54 -0.817 -9.732 -5.529 1.00 0.00 O ATOM 827 CB VAL A 54 0.853 -7.196 -5.828 1.00 0.00 C ATOM 828 CG1 VAL A 54 1.845 -7.711 -4.773 1.00 0.00 C ATOM 829 CG2 VAL A 54 1.445 -5.978 -6.543 1.00 0.00 C ATOM 0 H VAL A 54 -1.358 -7.438 -7.111 1.00 0.00 H new ATOM 0 HA VAL A 54 1.419 -8.407 -7.504 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.072 -6.915 -5.325 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.050 -6.921 -4.050 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.415 -8.571 -4.259 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.774 -8.007 -5.261 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.664 -5.199 -5.813 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.364 -6.267 -7.053 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.729 -5.601 -7.273 1.00 0.00 H new ATOM 839 N THR A 55 1.166 -10.564 -6.232 1.00 0.00 N ATOM 840 CA THR A 55 0.941 -11.850 -5.549 1.00 0.00 C ATOM 841 C THR A 55 2.181 -12.454 -4.893 1.00 0.00 C ATOM 842 O THR A 55 3.020 -13.051 -5.556 1.00 0.00 O ATOM 843 CB THR A 55 0.310 -12.831 -6.541 1.00 0.00 C ATOM 844 OG1 THR A 55 -0.955 -12.322 -6.947 1.00 0.00 O ATOM 845 CG2 THR A 55 0.118 -14.193 -5.880 1.00 0.00 C ATOM 0 H THR A 55 2.051 -10.484 -6.733 1.00 0.00 H new ATOM 0 HA THR A 55 0.266 -11.651 -4.716 1.00 0.00 H new ATOM 0 HB THR A 55 0.965 -12.946 -7.405 1.00 0.00 H new ATOM 0 HG1 THR A 55 -1.368 -12.942 -7.584 1.00 0.00 H new ATOM 0 HG21 THR A 55 -0.331 -14.884 -6.594 1.00 0.00 H new ATOM 0 HG22 THR A 55 1.085 -14.581 -5.559 1.00 0.00 H new ATOM 0 HG23 THR A 55 -0.537 -14.088 -5.015 1.00 0.00 H new ATOM 853 N GLU A 56 2.222 -12.313 -3.563 1.00 0.00 N ATOM 854 CA GLU A 56 3.307 -12.841 -2.710 1.00 0.00 C ATOM 855 C GLU A 56 4.161 -13.885 -3.430 1.00 0.00 C ATOM 856 O GLU A 56 5.373 -13.748 -3.404 1.00 0.00 O ATOM 857 CB GLU A 56 2.704 -13.468 -1.439 1.00 0.00 C ATOM 858 CG GLU A 56 3.699 -13.369 -0.277 1.00 0.00 C ATOM 859 CD GLU A 56 4.990 -14.090 -0.650 1.00 0.00 C ATOM 860 OE1 GLU A 56 4.901 -15.237 -1.142 1.00 0.00 O ATOM 861 OE2 GLU A 56 6.078 -13.493 -0.507 1.00 0.00 O ATOM 862 OXT GLU A 56 3.590 -14.800 -3.997 1.00 0.00 O ATOM 0 H GLU A 56 1.497 -11.824 -3.037 1.00 0.00 H new ATOM 0 HA GLU A 56 3.956 -12.003 -2.455 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.777 -12.958 -1.178 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.452 -14.512 -1.624 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.907 -12.323 -0.050 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.270 -13.811 0.622 1.00 0.00 H new TER 869 GLU A 56 ATOM 870 N MET B 1 -4.865 -7.426 19.218 1.00 0.00 N ATOM 871 CA MET B 1 -5.995 -7.808 18.333 1.00 0.00 C ATOM 872 C MET B 1 -5.739 -7.308 16.922 1.00 0.00 C ATOM 873 O MET B 1 -4.604 -7.002 16.561 1.00 0.00 O ATOM 874 CB MET B 1 -7.298 -7.226 18.905 1.00 0.00 C ATOM 875 CG MET B 1 -7.476 -5.742 18.531 1.00 0.00 C ATOM 876 SD MET B 1 -5.880 -4.882 18.560 1.00 0.00 S ATOM 877 CE MET B 1 -5.860 -4.497 20.328 1.00 0.00 C ATOM 0 H1 MET B 1 -5.099 -7.666 20.203 1.00 0.00 H new ATOM 0 H2 MET B 1 -4.009 -7.942 18.930 1.00 0.00 H new ATOM 0 H3 MET B 1 -4.695 -6.403 19.142 1.00 0.00 H new ATOM 0 HA MET B 1 -6.087 -8.893 18.289 1.00 0.00 H new ATOM 0 HB2 MET B 1 -8.147 -7.799 18.531 1.00 0.00 H new ATOM 0 HB3 MET B 1 -7.296 -7.329 19.990 1.00 0.00 H new ATOM 0 HG2 MET B 1 -7.921 -5.662 17.539 1.00 0.00 H new ATOM 0 HG3 MET B 1 -8.165 -5.265 19.228 1.00 0.00 H new ATOM 0 HE1 MET B 1 -5.032 -3.822 20.544 1.00 0.00 H new ATOM 0 HE2 MET B 1 -6.799 -4.019 20.607 1.00 0.00 H new ATOM 0 HE3 MET B 1 -5.737 -5.417 20.899 1.00 0.00 H new ATOM 889 N GLN B 2 -6.794 -7.210 16.131 1.00 0.00 N ATOM 890 CA GLN B 2 -6.648 -6.729 14.767 1.00 0.00 C ATOM 891 C GLN B 2 -6.322 -5.237 14.808 1.00 0.00 C ATOM 892 O GLN B 2 -6.943 -4.482 15.557 1.00 0.00 O ATOM 893 CB GLN B 2 -7.949 -6.982 13.974 1.00 0.00 C ATOM 894 CG GLN B 2 -7.648 -7.049 12.469 1.00 0.00 C ATOM 895 CD GLN B 2 -6.873 -5.832 12.058 1.00 0.00 C ATOM 896 OE1 GLN B 2 -7.403 -4.729 12.004 1.00 0.00 O ATOM 897 NE2 GLN B 2 -5.597 -5.971 11.775 1.00 0.00 N ATOM 0 H GLN B 2 -7.747 -7.453 16.403 1.00 0.00 H new ATOM 0 HA GLN B 2 -5.840 -7.263 14.267 1.00 0.00 H new ATOM 0 HB2 GLN B 2 -8.408 -7.914 14.302 1.00 0.00 H new ATOM 0 HB3 GLN B 2 -8.666 -6.186 14.174 1.00 0.00 H new ATOM 0 HG2 GLN B 2 -7.078 -7.950 12.241 1.00 0.00 H new ATOM 0 HG3 GLN B 2 -8.578 -7.109 11.904 1.00 0.00 H new ATOM 0 HE21 GLN B 2 -5.162 -6.892 11.822 1.00 0.00 H new ATOM 0 HE22 GLN B 2 -5.042 -5.158 11.509 1.00 0.00 H new ATOM 906 N TYR B 3 -5.353 -4.810 13.994 1.00 0.00 N ATOM 907 CA TYR B 3 -4.957 -3.398 13.934 1.00 0.00 C ATOM 908 C TYR B 3 -5.262 -2.863 12.550 1.00 0.00 C ATOM 909 O TYR B 3 -5.462 -3.658 11.646 1.00 0.00 O ATOM 910 CB TYR B 3 -3.473 -3.270 14.244 1.00 0.00 C ATOM 911 CG TYR B 3 -3.273 -3.721 15.664 1.00 0.00 C ATOM 912 CD1 TYR B 3 -3.606 -2.846 16.716 1.00 0.00 C ATOM 913 CD2 TYR B 3 -2.811 -5.019 15.959 1.00 0.00 C ATOM 914 CE1 TYR B 3 -3.463 -3.253 18.054 1.00 0.00 C ATOM 915 CE2 TYR B 3 -2.672 -5.425 17.300 1.00 0.00 C ATOM 916 CZ TYR B 3 -2.987 -4.542 18.344 1.00 0.00 C ATOM 917 OH TYR B 3 -2.846 -4.955 19.649 1.00 0.00 O ATOM 0 H TYR B 3 -4.828 -5.420 13.368 1.00 0.00 H new ATOM 0 HA TYR B 3 -5.513 -2.819 14.672 1.00 0.00 H new ATOM 0 HB2 TYR B 3 -2.883 -3.881 13.560 1.00 0.00 H new ATOM 0 HB3 TYR B 3 -3.141 -2.239 14.118 1.00 0.00 H new ATOM 0 HD1 TYR B 3 -3.974 -1.855 16.493 1.00 0.00 H new ATOM 0 HD2 TYR B 3 -2.564 -5.701 15.159 1.00 0.00 H new ATOM 0 HE1 TYR B 3 -3.718 -2.577 18.856 1.00 0.00 H new ATOM 0 HE2 TYR B 3 -2.321 -6.421 17.526 1.00 0.00 H new ATOM 0 HH TYR B 3 -2.506 -5.874 19.666 1.00 0.00 H new ATOM 927 N LYS B 4 -5.305 -1.547 12.305 1.00 0.00 N ATOM 928 CA LYS B 4 -5.612 -1.069 10.960 1.00 0.00 C ATOM 929 C LYS B 4 -4.652 0.062 10.601 1.00 0.00 C ATOM 930 O LYS B 4 -4.063 0.692 11.479 1.00 0.00 O ATOM 931 CB LYS B 4 -7.068 -0.578 10.920 1.00 0.00 C ATOM 932 CG LYS B 4 -7.617 -0.618 9.488 1.00 0.00 C ATOM 933 CD LYS B 4 -9.103 -0.245 9.517 1.00 0.00 C ATOM 934 CE LYS B 4 -9.656 -0.184 8.090 1.00 0.00 C ATOM 935 NZ LYS B 4 -9.656 -1.548 7.490 1.00 0.00 N ATOM 0 H LYS B 4 -5.136 -0.818 12.999 1.00 0.00 H new ATOM 0 HA LYS B 4 -5.493 -1.874 10.235 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -7.685 -1.201 11.568 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -7.124 0.439 11.308 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -7.066 0.076 8.853 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -7.486 -1.612 9.061 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -9.659 -0.979 10.100 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -9.235 0.719 10.008 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -10.669 0.219 8.100 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -9.050 0.490 7.484 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -10.212 -1.541 6.611 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -8.679 -1.834 7.279 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -10.077 -2.222 8.161 1.00 0.00 H new ATOM 949 N LEU B 5 -4.474 0.289 9.306 1.00 0.00 N ATOM 950 CA LEU B 5 -3.562 1.326 8.822 1.00 0.00 C ATOM 951 C LEU B 5 -4.319 2.362 8.004 1.00 0.00 C ATOM 952 O LEU B 5 -4.784 2.052 6.916 1.00 0.00 O ATOM 953 CB LEU B 5 -2.503 0.659 7.930 1.00 0.00 C ATOM 954 CG LEU B 5 -1.247 1.537 7.760 1.00 0.00 C ATOM 955 CD1 LEU B 5 -1.618 2.903 7.171 1.00 0.00 C ATOM 956 CD2 LEU B 5 -0.513 1.721 9.110 1.00 0.00 C ATOM 0 H LEU B 5 -4.949 -0.231 8.568 1.00 0.00 H new ATOM 0 HA LEU B 5 -3.096 1.825 9.672 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -2.218 -0.300 8.363 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -2.934 0.451 6.951 1.00 0.00 H new ATOM 0 HG LEU B 5 -0.575 1.028 7.069 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -0.718 3.507 7.059 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -2.086 2.764 6.196 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -2.315 3.410 7.839 1.00 0.00 H new ATOM 0 HD21 LEU B 5 0.369 2.344 8.963 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -1.181 2.201 9.825 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -0.209 0.747 9.495 1.00 0.00 H new ATOM 968 N ILE B 6 -4.392 3.602 8.500 1.00 0.00 N ATOM 969 CA ILE B 6 -5.042 4.678 7.747 1.00 0.00 C ATOM 970 C ILE B 6 -3.970 5.491 7.079 1.00 0.00 C ATOM 971 O ILE B 6 -3.093 6.053 7.734 1.00 0.00 O ATOM 972 CB ILE B 6 -5.887 5.578 8.650 1.00 0.00 C ATOM 973 CG1 ILE B 6 -7.082 4.776 9.122 1.00 0.00 C ATOM 974 CG2 ILE B 6 -6.364 6.809 7.870 1.00 0.00 C ATOM 975 CD1 ILE B 6 -7.823 5.517 10.235 1.00 0.00 C ATOM 0 H ILE B 6 -4.015 3.882 9.406 1.00 0.00 H new ATOM 0 HA ILE B 6 -5.716 4.237 7.012 1.00 0.00 H new ATOM 0 HB ILE B 6 -5.296 5.918 9.500 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -7.758 4.595 8.286 1.00 0.00 H new ATOM 0 HG13 ILE B 6 -6.753 3.802 9.483 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -6.965 7.443 8.522 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -5.501 7.371 7.513 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -6.966 6.490 7.019 1.00 0.00 H new ATOM 0 HD11 ILE B 6 -8.678 4.924 10.560 1.00 0.00 H new ATOM 0 HD12 ILE B 6 -7.150 5.675 11.078 1.00 0.00 H new ATOM 0 HD13 ILE B 6 -8.170 6.481 9.862 1.00 0.00 H new ATOM 987 N LEU B 7 -4.012 5.495 5.765 1.00 0.00 N ATOM 988 CA LEU B 7 -3.004 6.188 5.001 1.00 0.00 C ATOM 989 C LEU B 7 -3.456 7.577 4.601 1.00 0.00 C ATOM 990 O LEU B 7 -4.387 7.747 3.815 1.00 0.00 O ATOM 991 CB LEU B 7 -2.661 5.374 3.762 1.00 0.00 C ATOM 992 CG LEU B 7 -1.355 5.887 3.139 1.00 0.00 C ATOM 993 CD1 LEU B 7 -0.140 5.507 4.018 1.00 0.00 C ATOM 994 CD2 LEU B 7 -1.204 5.290 1.729 1.00 0.00 C ATOM 0 H LEU B 7 -4.729 5.029 5.208 1.00 0.00 H new ATOM 0 HA LEU B 7 -2.120 6.301 5.629 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -2.558 4.321 4.026 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -3.471 5.443 3.036 1.00 0.00 H new ATOM 0 HG LEU B 7 -1.392 6.974 3.074 1.00 0.00 H new ATOM 0 HD11 LEU B 7 0.774 5.881 3.557 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -0.254 5.949 5.008 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -0.083 4.422 4.110 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -0.279 5.649 1.279 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -1.177 4.202 1.795 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -2.050 5.595 1.112 1.00 0.00 H new ATOM 1006 N ASN B 8 -2.693 8.557 5.070 1.00 0.00 N ATOM 1007 CA ASN B 8 -2.914 9.938 4.675 1.00 0.00 C ATOM 1008 C ASN B 8 -1.630 10.410 4.037 1.00 0.00 C ATOM 1009 O ASN B 8 -0.602 10.590 4.693 1.00 0.00 O ATOM 1010 CB ASN B 8 -3.318 10.842 5.831 1.00 0.00 C ATOM 1011 CG ASN B 8 -4.230 10.115 6.791 1.00 0.00 C ATOM 1012 OD1 ASN B 8 -5.397 9.882 6.499 1.00 0.00 O ATOM 1013 ND2 ASN B 8 -3.749 9.847 7.983 1.00 0.00 N ATOM 0 H ASN B 8 -1.920 8.420 5.721 1.00 0.00 H new ATOM 0 HA ASN B 8 -3.754 9.988 3.982 1.00 0.00 H new ATOM 0 HB2 ASN B 8 -2.428 11.185 6.358 1.00 0.00 H new ATOM 0 HB3 ASN B 8 -3.821 11.729 5.446 1.00 0.00 H new ATOM 0 HD21 ASN B 8 -4.351 9.434 8.695 1.00 0.00 H new ATOM 0 HD22 ASN B 8 -2.773 10.052 8.197 1.00 0.00 H new ATOM 1020 N GLY B 9 -1.711 10.559 2.742 1.00 0.00 N ATOM 1021 CA GLY B 9 -0.575 10.960 1.926 1.00 0.00 C ATOM 1022 C GLY B 9 -1.048 11.706 0.698 1.00 0.00 C ATOM 1023 O GLY B 9 -2.220 11.675 0.363 1.00 0.00 O ATOM 0 H GLY B 9 -2.569 10.407 2.211 1.00 0.00 H new ATOM 0 HA2 GLY B 9 0.095 11.593 2.509 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -0.004 10.081 1.628 1.00 0.00 H new ATOM 1027 N LYS B 10 -0.135 12.381 0.022 1.00 0.00 N ATOM 1028 CA LYS B 10 -0.494 13.139 -1.170 1.00 0.00 C ATOM 1029 C LYS B 10 -0.312 12.293 -2.416 1.00 0.00 C ATOM 1030 O LYS B 10 -1.163 12.289 -3.305 1.00 0.00 O ATOM 1031 CB LYS B 10 0.375 14.394 -1.249 1.00 0.00 C ATOM 1032 CG LYS B 10 0.151 15.270 -0.004 1.00 0.00 C ATOM 1033 CD LYS B 10 -1.222 15.952 -0.065 1.00 0.00 C ATOM 1034 CE LYS B 10 -1.343 16.956 1.078 1.00 0.00 C ATOM 1035 NZ LYS B 10 -2.615 17.716 0.924 1.00 0.00 N ATOM 0 H LYS B 10 0.853 12.422 0.273 1.00 0.00 H new ATOM 0 HA LYS B 10 -1.543 13.427 -1.108 1.00 0.00 H new ATOM 0 HB2 LYS B 10 1.426 14.114 -1.322 1.00 0.00 H new ATOM 0 HB3 LYS B 10 0.132 14.958 -2.149 1.00 0.00 H new ATOM 0 HG2 LYS B 10 0.220 14.658 0.895 1.00 0.00 H new ATOM 0 HG3 LYS B 10 0.935 16.024 0.063 1.00 0.00 H new ATOM 0 HD2 LYS B 10 -1.346 16.458 -1.022 1.00 0.00 H new ATOM 0 HD3 LYS B 10 -2.014 15.206 0.006 1.00 0.00 H new ATOM 0 HE2 LYS B 10 -1.328 16.438 2.037 1.00 0.00 H new ATOM 0 HE3 LYS B 10 -0.493 17.639 1.071 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 -2.705 18.403 1.700 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 -2.610 18.220 0.014 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 -3.419 17.057 0.950 1.00 0.00 H new ATOM 1049 N THR B 11 0.796 11.570 -2.475 1.00 0.00 N ATOM 1050 CA THR B 11 1.087 10.711 -3.615 1.00 0.00 C ATOM 1051 C THR B 11 0.582 9.296 -3.342 1.00 0.00 C ATOM 1052 O THR B 11 0.695 8.405 -4.182 1.00 0.00 O ATOM 1053 CB THR B 11 2.596 10.702 -3.859 1.00 0.00 C ATOM 1054 OG1 THR B 11 3.049 12.040 -4.015 1.00 0.00 O ATOM 1055 CG2 THR B 11 2.915 9.913 -5.124 1.00 0.00 C ATOM 0 H THR B 11 1.510 11.560 -1.746 1.00 0.00 H new ATOM 0 HA THR B 11 0.581 11.091 -4.503 1.00 0.00 H new ATOM 0 HB THR B 11 3.096 10.234 -3.011 1.00 0.00 H new ATOM 0 HG1 THR B 11 4.017 12.042 -4.170 1.00 0.00 H new ATOM 0 HG21 THR B 11 3.992 9.912 -5.290 1.00 0.00 H new ATOM 0 HG22 THR B 11 2.564 8.887 -5.011 1.00 0.00 H new ATOM 0 HG23 THR B 11 2.417 10.375 -5.976 1.00 0.00 H new ATOM 1063 N LEU B 12 -0.013 9.118 -2.169 1.00 0.00 N ATOM 1064 CA LEU B 12 -0.569 7.819 -1.789 1.00 0.00 C ATOM 1065 C LEU B 12 -1.735 8.018 -0.819 1.00 0.00 C ATOM 1066 O LEU B 12 -1.672 8.855 0.081 1.00 0.00 O ATOM 1067 CB LEU B 12 0.542 6.933 -1.176 1.00 0.00 C ATOM 1068 CG LEU B 12 0.394 5.456 -1.636 1.00 0.00 C ATOM 1069 CD1 LEU B 12 0.891 5.299 -3.091 1.00 0.00 C ATOM 1070 CD2 LEU B 12 1.206 4.504 -0.709 1.00 0.00 C ATOM 0 H LEU B 12 -0.124 9.849 -1.467 1.00 0.00 H new ATOM 0 HA LEU B 12 -0.954 7.309 -2.672 1.00 0.00 H new ATOM 0 HB2 LEU B 12 1.520 7.313 -1.471 1.00 0.00 H new ATOM 0 HB3 LEU B 12 0.495 6.985 -0.088 1.00 0.00 H new ATOM 0 HG LEU B 12 -0.661 5.189 -1.580 1.00 0.00 H new ATOM 0 HD11 LEU B 12 0.783 4.260 -3.402 1.00 0.00 H new ATOM 0 HD12 LEU B 12 0.301 5.938 -3.748 1.00 0.00 H new ATOM 0 HD13 LEU B 12 1.940 5.588 -3.150 1.00 0.00 H new ATOM 0 HD21 LEU B 12 1.087 3.476 -1.050 1.00 0.00 H new ATOM 0 HD22 LEU B 12 2.261 4.778 -0.741 1.00 0.00 H new ATOM 0 HD23 LEU B 12 0.839 4.592 0.314 1.00 0.00 H new ATOM 1082 N LYS B 13 -2.767 7.191 -0.966 1.00 0.00 N ATOM 1083 CA LYS B 13 -3.918 7.216 -0.065 1.00 0.00 C ATOM 1084 C LYS B 13 -4.555 5.818 -0.060 1.00 0.00 C ATOM 1085 O LYS B 13 -4.704 5.210 -1.119 1.00 0.00 O ATOM 1086 CB LYS B 13 -4.944 8.293 -0.476 1.00 0.00 C ATOM 1087 CG LYS B 13 -4.318 9.698 -0.348 1.00 0.00 C ATOM 1088 CD LYS B 13 -5.393 10.772 -0.560 1.00 0.00 C ATOM 1089 CE LYS B 13 -4.772 12.176 -0.475 1.00 0.00 C ATOM 1090 NZ LYS B 13 -4.322 12.448 0.928 1.00 0.00 N ATOM 0 H LYS B 13 -2.830 6.491 -1.705 1.00 0.00 H new ATOM 0 HA LYS B 13 -3.584 7.478 0.939 1.00 0.00 H new ATOM 0 HB2 LYS B 13 -5.269 8.123 -1.502 1.00 0.00 H new ATOM 0 HB3 LYS B 13 -5.830 8.222 0.155 1.00 0.00 H new ATOM 0 HG2 LYS B 13 -3.864 9.815 0.636 1.00 0.00 H new ATOM 0 HG3 LYS B 13 -3.522 9.819 -1.082 1.00 0.00 H new ATOM 0 HD2 LYS B 13 -5.866 10.635 -1.532 1.00 0.00 H new ATOM 0 HD3 LYS B 13 -6.175 10.667 0.193 1.00 0.00 H new ATOM 0 HE2 LYS B 13 -3.927 12.252 -1.159 1.00 0.00 H new ATOM 0 HE3 LYS B 13 -5.501 12.925 -0.785 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 -4.353 13.471 1.110 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 -4.951 11.958 1.596 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 -3.349 12.104 1.053 1.00 0.00 H new ATOM 1104 N GLY B 14 -4.927 5.299 1.110 1.00 0.00 N ATOM 1105 CA GLY B 14 -5.532 3.958 1.173 1.00 0.00 C ATOM 1106 C GLY B 14 -5.577 3.420 2.606 1.00 0.00 C ATOM 1107 O GLY B 14 -5.275 4.144 3.554 1.00 0.00 O ATOM 0 H GLY B 14 -4.826 5.769 2.010 1.00 0.00 H new ATOM 0 HA2 GLY B 14 -6.543 3.996 0.767 1.00 0.00 H new ATOM 0 HA3 GLY B 14 -4.962 3.273 0.545 1.00 0.00 H new ATOM 1111 N GLU B 15 -5.985 2.147 2.772 1.00 0.00 N ATOM 1112 CA GLU B 15 -6.084 1.556 4.122 1.00 0.00 C ATOM 1113 C GLU B 15 -5.696 0.064 4.169 1.00 0.00 C ATOM 1114 O GLU B 15 -6.243 -0.751 3.426 1.00 0.00 O ATOM 1115 CB GLU B 15 -7.529 1.643 4.636 1.00 0.00 C ATOM 1116 CG GLU B 15 -8.048 3.085 4.656 1.00 0.00 C ATOM 1117 CD GLU B 15 -9.554 3.054 4.894 1.00 0.00 C ATOM 1118 OE1 GLU B 15 -9.973 2.794 6.043 1.00 0.00 O ATOM 1119 OE2 GLU B 15 -10.308 3.188 3.905 1.00 0.00 O ATOM 0 H GLU B 15 -6.246 1.521 2.010 1.00 0.00 H new ATOM 0 HA GLU B 15 -5.388 2.127 4.736 1.00 0.00 H new ATOM 0 HB2 GLU B 15 -8.175 1.034 4.004 1.00 0.00 H new ATOM 0 HB3 GLU B 15 -7.581 1.225 5.641 1.00 0.00 H new ATOM 0 HG2 GLU B 15 -7.552 3.655 5.442 1.00 0.00 H new ATOM 0 HG3 GLU B 15 -7.824 3.581 3.712 1.00 0.00 H new ATOM 1126 N THR B 16 -4.758 -0.281 5.068 1.00 0.00 N ATOM 1127 CA THR B 16 -4.320 -1.693 5.234 1.00 0.00 C ATOM 1128 C THR B 16 -4.857 -2.237 6.561 1.00 0.00 C ATOM 1129 O THR B 16 -5.321 -1.466 7.401 1.00 0.00 O ATOM 1130 CB THR B 16 -2.783 -1.864 5.214 1.00 0.00 C ATOM 1131 OG1 THR B 16 -2.271 -1.668 6.522 1.00 0.00 O ATOM 1132 CG2 THR B 16 -2.092 -0.871 4.247 1.00 0.00 C ATOM 0 H THR B 16 -4.290 0.382 5.686 1.00 0.00 H new ATOM 0 HA THR B 16 -4.719 -2.247 4.384 1.00 0.00 H new ATOM 0 HB THR B 16 -2.571 -2.873 4.861 1.00 0.00 H new ATOM 0 HG1 THR B 16 -1.315 -1.460 6.471 1.00 0.00 H new ATOM 0 HG21 THR B 16 -1.014 -1.032 4.269 1.00 0.00 H new ATOM 0 HG22 THR B 16 -2.462 -1.032 3.234 1.00 0.00 H new ATOM 0 HG23 THR B 16 -2.313 0.151 4.556 1.00 0.00 H new ATOM 1140 N THR B 17 -4.776 -3.561 6.774 1.00 0.00 N ATOM 1141 CA THR B 17 -5.242 -4.160 8.029 1.00 0.00 C ATOM 1142 C THR B 17 -4.329 -5.340 8.390 1.00 0.00 C ATOM 1143 O THR B 17 -4.052 -6.190 7.548 1.00 0.00 O ATOM 1144 CB THR B 17 -6.717 -4.620 7.879 1.00 0.00 C ATOM 1145 OG1 THR B 17 -7.339 -3.822 6.881 1.00 0.00 O ATOM 1146 CG2 THR B 17 -7.519 -4.461 9.192 1.00 0.00 C ATOM 0 H THR B 17 -4.397 -4.227 6.101 1.00 0.00 H new ATOM 0 HA THR B 17 -5.200 -3.424 8.832 1.00 0.00 H new ATOM 0 HB THR B 17 -6.710 -5.677 7.611 1.00 0.00 H new ATOM 0 HG1 THR B 17 -8.272 -4.102 6.773 1.00 0.00 H new ATOM 0 HG21 THR B 17 -8.544 -4.796 9.035 1.00 0.00 H new ATOM 0 HG22 THR B 17 -7.057 -5.061 9.976 1.00 0.00 H new ATOM 0 HG23 THR B 17 -7.522 -3.413 9.492 1.00 0.00 H new ATOM 1154 N THR B 18 -3.854 -5.382 9.638 1.00 0.00 N ATOM 1155 CA THR B 18 -2.961 -6.468 10.062 1.00 0.00 C ATOM 1156 C THR B 18 -3.105 -6.726 11.546 1.00 0.00 C ATOM 1157 O THR B 18 -3.286 -5.795 12.327 1.00 0.00 O ATOM 1158 CB THR B 18 -1.482 -6.119 9.735 1.00 0.00 C ATOM 1159 OG1 THR B 18 -0.785 -7.322 9.449 1.00 0.00 O ATOM 1160 CG2 THR B 18 -0.764 -5.406 10.921 1.00 0.00 C ATOM 0 H THR B 18 -4.066 -4.693 10.360 1.00 0.00 H new ATOM 0 HA THR B 18 -3.243 -7.368 9.516 1.00 0.00 H new ATOM 0 HB THR B 18 -1.482 -5.439 8.883 1.00 0.00 H new ATOM 0 HG1 THR B 18 0.150 -7.116 9.239 1.00 0.00 H new ATOM 0 HG21 THR B 18 0.266 -5.184 10.642 1.00 0.00 H new ATOM 0 HG22 THR B 18 -1.285 -4.478 11.156 1.00 0.00 H new ATOM 0 HG23 THR B 18 -0.771 -6.057 11.795 1.00 0.00 H new ATOM 1168 N GLU B 19 -2.958 -7.975 11.955 1.00 0.00 N ATOM 1169 CA GLU B 19 -3.010 -8.335 13.352 1.00 0.00 C ATOM 1170 C GLU B 19 -1.596 -8.737 13.703 1.00 0.00 C ATOM 1171 O GLU B 19 -0.997 -9.557 13.005 1.00 0.00 O ATOM 1172 CB GLU B 19 -3.960 -9.523 13.527 1.00 0.00 C ATOM 1173 CG GLU B 19 -4.106 -9.910 15.003 1.00 0.00 C ATOM 1174 CD GLU B 19 -5.043 -11.106 15.087 1.00 0.00 C ATOM 1175 OE1 GLU B 19 -4.555 -12.221 14.793 1.00 0.00 O ATOM 1176 OE2 GLU B 19 -6.266 -10.922 15.270 1.00 0.00 O ATOM 0 H GLU B 19 -2.800 -8.762 11.326 1.00 0.00 H new ATOM 0 HA GLU B 19 -3.369 -7.525 13.987 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -4.938 -9.272 13.117 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -3.586 -10.376 12.961 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -3.134 -10.157 15.430 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -4.503 -9.074 15.578 1.00 0.00 H new ATOM 1183 N ALA B 20 -1.026 -8.121 14.719 1.00 0.00 N ATOM 1184 CA ALA B 20 0.364 -8.393 15.065 1.00 0.00 C ATOM 1185 C ALA B 20 0.419 -9.210 16.333 1.00 0.00 C ATOM 1186 O ALA B 20 -0.613 -9.458 16.955 1.00 0.00 O ATOM 1187 CB ALA B 20 1.096 -7.056 15.247 1.00 0.00 C ATOM 0 H ALA B 20 -1.492 -7.437 15.315 1.00 0.00 H new ATOM 0 HA ALA B 20 0.848 -8.961 14.271 1.00 0.00 H new ATOM 0 HB1 ALA B 20 2.138 -7.244 15.506 1.00 0.00 H new ATOM 0 HB2 ALA B 20 1.050 -6.487 14.319 1.00 0.00 H new ATOM 0 HB3 ALA B 20 0.620 -6.487 16.046 1.00 0.00 H new ATOM 1193 N VAL B 21 1.610 -9.645 16.721 1.00 0.00 N ATOM 1194 CA VAL B 21 1.709 -10.444 17.923 1.00 0.00 C ATOM 1195 C VAL B 21 1.155 -9.631 19.075 1.00 0.00 C ATOM 1196 O VAL B 21 0.591 -10.176 20.021 1.00 0.00 O ATOM 1197 CB VAL B 21 3.152 -10.897 18.188 1.00 0.00 C ATOM 1198 CG1 VAL B 21 4.077 -9.693 18.313 1.00 0.00 C ATOM 1199 CG2 VAL B 21 3.193 -11.710 19.484 1.00 0.00 C ATOM 0 H VAL B 21 2.490 -9.464 16.237 1.00 0.00 H new ATOM 0 HA VAL B 21 1.127 -11.358 17.805 1.00 0.00 H new ATOM 0 HB VAL B 21 3.490 -11.509 17.352 1.00 0.00 H new ATOM 0 HG11 VAL B 21 5.095 -10.034 18.501 1.00 0.00 H new ATOM 0 HG12 VAL B 21 4.052 -9.117 17.388 1.00 0.00 H new ATOM 0 HG13 VAL B 21 3.747 -9.065 19.140 1.00 0.00 H new ATOM 0 HG21 VAL B 21 4.215 -12.035 19.678 1.00 0.00 H new ATOM 0 HG22 VAL B 21 2.845 -11.092 20.312 1.00 0.00 H new ATOM 0 HG23 VAL B 21 2.547 -12.583 19.387 1.00 0.00 H new ATOM 1209 N ASP B 22 1.284 -8.312 18.967 1.00 0.00 N ATOM 1210 CA ASP B 22 0.762 -7.421 19.977 1.00 0.00 C ATOM 1211 C ASP B 22 0.748 -5.990 19.453 1.00 0.00 C ATOM 1212 O ASP B 22 1.285 -5.683 18.387 1.00 0.00 O ATOM 1213 CB ASP B 22 1.591 -7.486 21.257 1.00 0.00 C ATOM 1214 CG ASP B 22 1.030 -6.495 22.271 1.00 0.00 C ATOM 1215 OD1 ASP B 22 -0.192 -6.537 22.549 1.00 0.00 O ATOM 1216 OD2 ASP B 22 1.796 -5.607 22.713 1.00 0.00 O ATOM 0 H ASP B 22 1.747 -7.844 18.187 1.00 0.00 H new ATOM 0 HA ASP B 22 -0.255 -7.738 20.209 1.00 0.00 H new ATOM 0 HB2 ASP B 22 1.569 -8.496 21.667 1.00 0.00 H new ATOM 0 HB3 ASP B 22 2.634 -7.252 21.041 1.00 0.00 H new ATOM 1221 N ALA B 23 0.103 -5.138 20.215 1.00 0.00 N ATOM 1222 CA ALA B 23 -0.028 -3.739 19.841 1.00 0.00 C ATOM 1223 C ALA B 23 1.309 -3.153 19.446 1.00 0.00 C ATOM 1224 O ALA B 23 1.388 -2.518 18.414 1.00 0.00 O ATOM 1225 CB ALA B 23 -0.627 -2.941 21.008 1.00 0.00 C ATOM 0 H ALA B 23 -0.341 -5.384 21.099 1.00 0.00 H new ATOM 0 HA ALA B 23 -0.693 -3.676 18.980 1.00 0.00 H new ATOM 0 HB1 ALA B 23 -0.723 -1.894 20.721 1.00 0.00 H new ATOM 0 HB2 ALA B 23 -1.610 -3.341 21.255 1.00 0.00 H new ATOM 0 HB3 ALA B 23 0.026 -3.021 21.877 1.00 0.00 H new ATOM 1231 N ALA B 24 2.341 -3.383 20.249 1.00 0.00 N ATOM 1232 CA ALA B 24 3.680 -2.863 19.974 1.00 0.00 C ATOM 1233 C ALA B 24 4.200 -3.329 18.619 1.00 0.00 C ATOM 1234 O ALA B 24 4.834 -2.580 17.877 1.00 0.00 O ATOM 1235 CB ALA B 24 4.635 -3.355 21.060 1.00 0.00 C ATOM 0 H ALA B 24 2.277 -3.932 21.106 1.00 0.00 H new ATOM 0 HA ALA B 24 3.624 -1.775 19.963 1.00 0.00 H new ATOM 0 HB1 ALA B 24 5.637 -2.973 20.864 1.00 0.00 H new ATOM 0 HB2 ALA B 24 4.295 -2.999 22.032 1.00 0.00 H new ATOM 0 HB3 ALA B 24 4.656 -4.445 21.059 1.00 0.00 H new ATOM 1241 N THR B 25 3.902 -4.574 18.327 1.00 0.00 N ATOM 1242 CA THR B 25 4.341 -5.141 17.060 1.00 0.00 C ATOM 1243 C THR B 25 3.647 -4.418 15.903 1.00 0.00 C ATOM 1244 O THR B 25 4.316 -3.944 14.987 1.00 0.00 O ATOM 1245 CB THR B 25 4.143 -6.652 17.001 1.00 0.00 C ATOM 1246 OG1 THR B 25 4.893 -7.220 18.064 1.00 0.00 O ATOM 1247 CG2 THR B 25 4.680 -7.209 15.662 1.00 0.00 C ATOM 0 H THR B 25 3.372 -5.205 18.928 1.00 0.00 H new ATOM 0 HA THR B 25 5.416 -4.984 16.968 1.00 0.00 H new ATOM 0 HB THR B 25 3.084 -6.895 17.084 1.00 0.00 H new ATOM 0 HG1 THR B 25 5.659 -7.711 17.699 1.00 0.00 H new ATOM 0 HG21 THR B 25 4.533 -8.289 15.632 1.00 0.00 H new ATOM 0 HG22 THR B 25 4.143 -6.746 14.834 1.00 0.00 H new ATOM 0 HG23 THR B 25 5.743 -6.985 15.575 1.00 0.00 H new ATOM 1255 N ALA B 26 2.321 -4.296 15.943 1.00 0.00 N ATOM 1256 CA ALA B 26 1.637 -3.590 14.865 1.00 0.00 C ATOM 1257 C ALA B 26 2.261 -2.205 14.725 1.00 0.00 C ATOM 1258 O ALA B 26 2.451 -1.710 13.617 1.00 0.00 O ATOM 1259 CB ALA B 26 0.128 -3.495 15.129 1.00 0.00 C ATOM 0 H ALA B 26 1.719 -4.662 16.681 1.00 0.00 H new ATOM 0 HA ALA B 26 1.757 -4.143 13.933 1.00 0.00 H new ATOM 0 HB1 ALA B 26 -0.352 -2.963 14.307 1.00 0.00 H new ATOM 0 HB2 ALA B 26 -0.292 -4.498 15.207 1.00 0.00 H new ATOM 0 HB3 ALA B 26 -0.045 -2.956 16.060 1.00 0.00 H new ATOM 1265 N GLU B 27 2.665 -1.620 15.852 1.00 0.00 N ATOM 1266 CA GLU B 27 3.368 -0.320 15.757 1.00 0.00 C ATOM 1267 C GLU B 27 4.706 -0.571 15.067 1.00 0.00 C ATOM 1268 O GLU B 27 5.151 0.202 14.214 1.00 0.00 O ATOM 1269 CB GLU B 27 3.683 0.418 17.115 1.00 0.00 C ATOM 1270 CG GLU B 27 2.709 0.084 18.245 1.00 0.00 C ATOM 1271 CD GLU B 27 1.478 0.985 18.232 1.00 0.00 C ATOM 1272 OE1 GLU B 27 1.653 2.218 18.114 1.00 0.00 O ATOM 1273 OE2 GLU B 27 0.350 0.463 18.369 1.00 0.00 O ATOM 0 H GLU B 27 2.534 -1.989 16.794 1.00 0.00 H new ATOM 0 HA GLU B 27 2.683 0.334 15.218 1.00 0.00 H new ATOM 0 HB2 GLU B 27 4.693 0.159 17.432 1.00 0.00 H new ATOM 0 HB3 GLU B 27 3.669 1.494 16.943 1.00 0.00 H new ATOM 0 HG2 GLU B 27 2.396 -0.956 18.157 1.00 0.00 H new ATOM 0 HG3 GLU B 27 3.219 0.183 19.203 1.00 0.00 H new ATOM 1280 N LYS B 28 5.355 -1.650 15.488 1.00 0.00 N ATOM 1281 CA LYS B 28 6.683 -1.986 14.964 1.00 0.00 C ATOM 1282 C LYS B 28 6.690 -2.176 13.457 1.00 0.00 C ATOM 1283 O LYS B 28 7.568 -1.653 12.769 1.00 0.00 O ATOM 1284 CB LYS B 28 7.199 -3.284 15.603 1.00 0.00 C ATOM 1285 CG LYS B 28 8.701 -3.478 15.290 1.00 0.00 C ATOM 1286 CD LYS B 28 9.073 -4.979 15.321 1.00 0.00 C ATOM 1287 CE LYS B 28 8.749 -5.640 13.974 1.00 0.00 C ATOM 1288 NZ LYS B 28 9.305 -7.021 13.953 1.00 0.00 N ATOM 0 H LYS B 28 4.993 -2.304 16.182 1.00 0.00 H new ATOM 0 HA LYS B 28 7.326 -1.142 15.213 1.00 0.00 H new ATOM 0 HB2 LYS B 28 7.047 -3.251 16.682 1.00 0.00 H new ATOM 0 HB3 LYS B 28 6.630 -4.134 15.226 1.00 0.00 H new ATOM 0 HG2 LYS B 28 8.931 -3.061 14.310 1.00 0.00 H new ATOM 0 HG3 LYS B 28 9.303 -2.933 16.017 1.00 0.00 H new ATOM 0 HD2 LYS B 28 10.134 -5.092 15.543 1.00 0.00 H new ATOM 0 HD3 LYS B 28 8.525 -5.479 16.120 1.00 0.00 H new ATOM 0 HE2 LYS B 28 7.670 -5.668 13.821 1.00 0.00 H new ATOM 0 HE3 LYS B 28 9.172 -5.054 13.158 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 9.086 -7.470 13.041 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 10.336 -6.982 14.081 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 8.882 -7.577 14.723 1.00 0.00 H new ATOM 1302 N VAL B 29 5.753 -2.956 12.944 1.00 0.00 N ATOM 1303 CA VAL B 29 5.731 -3.232 11.515 1.00 0.00 C ATOM 1304 C VAL B 29 5.333 -2.014 10.698 1.00 0.00 C ATOM 1305 O VAL B 29 6.041 -1.629 9.777 1.00 0.00 O ATOM 1306 CB VAL B 29 4.813 -4.432 11.231 1.00 0.00 C ATOM 1307 CG1 VAL B 29 3.341 -4.030 11.146 1.00 0.00 C ATOM 1308 CG2 VAL B 29 5.215 -5.111 9.918 1.00 0.00 C ATOM 0 H VAL B 29 5.010 -3.402 13.482 1.00 0.00 H new ATOM 0 HA VAL B 29 6.744 -3.485 11.203 1.00 0.00 H new ATOM 0 HB VAL B 29 4.932 -5.121 12.067 1.00 0.00 H new ATOM 0 HG11 VAL B 29 2.734 -4.912 10.944 1.00 0.00 H new ATOM 0 HG12 VAL B 29 3.030 -3.584 12.091 1.00 0.00 H new ATOM 0 HG13 VAL B 29 3.207 -3.306 10.342 1.00 0.00 H new ATOM 0 HG21 VAL B 29 4.556 -5.959 9.730 1.00 0.00 H new ATOM 0 HG22 VAL B 29 5.130 -4.397 9.099 1.00 0.00 H new ATOM 0 HG23 VAL B 29 6.245 -5.461 9.990 1.00 0.00 H new ATOM 1318 N PHE B 30 4.195 -1.433 11.010 1.00 0.00 N ATOM 1319 CA PHE B 30 3.721 -0.295 10.246 1.00 0.00 C ATOM 1320 C PHE B 30 4.791 0.831 10.201 1.00 0.00 C ATOM 1321 O PHE B 30 4.953 1.484 9.161 1.00 0.00 O ATOM 1322 CB PHE B 30 2.410 0.226 10.836 1.00 0.00 C ATOM 1323 CG PHE B 30 1.201 -0.673 10.586 1.00 0.00 C ATOM 1324 CD1 PHE B 30 0.847 -1.148 9.308 1.00 0.00 C ATOM 1325 CD2 PHE B 30 0.389 -0.997 11.694 1.00 0.00 C ATOM 1326 CE1 PHE B 30 -0.305 -1.939 9.140 1.00 0.00 C ATOM 1327 CE2 PHE B 30 -0.766 -1.783 11.524 1.00 0.00 C ATOM 1328 CZ PHE B 30 -1.103 -2.264 10.249 1.00 0.00 C ATOM 0 H PHE B 30 3.587 -1.723 11.776 1.00 0.00 H new ATOM 0 HA PHE B 30 3.538 -0.620 9.222 1.00 0.00 H new ATOM 0 HB2 PHE B 30 2.536 0.354 11.911 1.00 0.00 H new ATOM 0 HB3 PHE B 30 2.206 1.212 10.420 1.00 0.00 H new ATOM 0 HD1 PHE B 30 1.462 -0.904 8.454 1.00 0.00 H new ATOM 0 HD2 PHE B 30 0.655 -0.640 12.678 1.00 0.00 H new ATOM 0 HE1 PHE B 30 -0.576 -2.296 8.157 1.00 0.00 H new ATOM 0 HE2 PHE B 30 -1.392 -2.016 12.373 1.00 0.00 H new ATOM 0 HZ PHE B 30 -1.977 -2.885 10.121 1.00 0.00 H new ATOM 1338 N LYS B 31 5.565 1.041 11.290 1.00 0.00 N ATOM 1339 CA LYS B 31 6.631 2.069 11.237 1.00 0.00 C ATOM 1340 C LYS B 31 7.643 1.688 10.182 1.00 0.00 C ATOM 1341 O LYS B 31 8.125 2.526 9.421 1.00 0.00 O ATOM 1342 CB LYS B 31 7.349 2.242 12.590 1.00 0.00 C ATOM 1343 CG LYS B 31 6.463 3.043 13.556 1.00 0.00 C ATOM 1344 CD LYS B 31 7.258 3.453 14.815 1.00 0.00 C ATOM 1345 CE LYS B 31 6.677 4.750 15.411 1.00 0.00 C ATOM 1346 NZ LYS B 31 7.275 5.931 14.724 1.00 0.00 N ATOM 0 H LYS B 31 5.481 0.541 12.175 1.00 0.00 H new ATOM 0 HA LYS B 31 6.157 3.019 10.992 1.00 0.00 H new ATOM 0 HB2 LYS B 31 7.577 1.266 13.017 1.00 0.00 H new ATOM 0 HB3 LYS B 31 8.299 2.756 12.444 1.00 0.00 H new ATOM 0 HG2 LYS B 31 6.082 3.933 13.055 1.00 0.00 H new ATOM 0 HG3 LYS B 31 5.598 2.445 13.845 1.00 0.00 H new ATOM 0 HD2 LYS B 31 7.218 2.654 15.555 1.00 0.00 H new ATOM 0 HD3 LYS B 31 8.308 3.599 14.560 1.00 0.00 H new ATOM 0 HE2 LYS B 31 5.593 4.761 15.296 1.00 0.00 H new ATOM 0 HE3 LYS B 31 6.885 4.795 16.480 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 6.881 6.804 15.129 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 8.307 5.923 14.855 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 7.055 5.890 13.708 1.00 0.00 H new ATOM 1360 N GLN B 32 7.993 0.426 10.190 1.00 0.00 N ATOM 1361 CA GLN B 32 9.002 -0.042 9.256 1.00 0.00 C ATOM 1362 C GLN B 32 8.733 0.523 7.844 1.00 0.00 C ATOM 1363 O GLN B 32 9.662 0.930 7.144 1.00 0.00 O ATOM 1364 CB GLN B 32 9.038 -1.579 9.227 1.00 0.00 C ATOM 1365 CG GLN B 32 10.507 -2.100 9.134 1.00 0.00 C ATOM 1366 CD GLN B 32 10.980 -2.796 10.423 1.00 0.00 C ATOM 1367 OE1 GLN B 32 11.802 -3.671 10.181 1.00 0.00 O ATOM 1368 NE2 GLN B 32 10.189 -2.886 11.472 1.00 0.00 N ATOM 0 H GLN B 32 7.610 -0.285 10.813 1.00 0.00 H new ATOM 0 HA GLN B 32 9.976 0.317 9.590 1.00 0.00 H new ATOM 0 HB2 GLN B 32 8.564 -1.975 10.125 1.00 0.00 H new ATOM 0 HB3 GLN B 32 8.464 -1.944 8.376 1.00 0.00 H new ATOM 0 HG2 GLN B 32 10.587 -2.798 8.300 1.00 0.00 H new ATOM 0 HG3 GLN B 32 11.170 -1.263 8.915 1.00 0.00 H new ATOM 0 HE21 GLN B 32 9.509 -2.150 11.662 1.00 0.00 H new ATOM 0 HE22 GLN B 32 10.257 -3.691 12.094 1.00 0.00 H new ATOM 1377 N TYR B 33 7.464 0.524 7.433 1.00 0.00 N ATOM 1378 CA TYR B 33 7.086 1.008 6.098 1.00 0.00 C ATOM 1379 C TYR B 33 7.022 2.539 6.016 1.00 0.00 C ATOM 1380 O TYR B 33 7.551 3.127 5.075 1.00 0.00 O ATOM 1381 CB TYR B 33 5.694 0.481 5.699 1.00 0.00 C ATOM 1382 CG TYR B 33 5.681 -1.026 5.501 1.00 0.00 C ATOM 1383 CD1 TYR B 33 6.041 -1.874 6.569 1.00 0.00 C ATOM 1384 CD2 TYR B 33 5.204 -1.600 4.304 1.00 0.00 C ATOM 1385 CE1 TYR B 33 5.959 -3.272 6.431 1.00 0.00 C ATOM 1386 CE2 TYR B 33 5.121 -3.000 4.167 1.00 0.00 C ATOM 1387 CZ TYR B 33 5.505 -3.837 5.229 1.00 0.00 C ATOM 1388 OH TYR B 33 5.437 -5.205 5.084 1.00 0.00 O ATOM 0 H TYR B 33 6.682 0.197 8.000 1.00 0.00 H new ATOM 0 HA TYR B 33 7.861 0.640 5.426 1.00 0.00 H new ATOM 0 HB2 TYR B 33 4.972 0.750 6.470 1.00 0.00 H new ATOM 0 HB3 TYR B 33 5.374 0.969 4.778 1.00 0.00 H new ATOM 0 HD1 TYR B 33 6.382 -1.447 7.500 1.00 0.00 H new ATOM 0 HD2 TYR B 33 4.900 -0.962 3.487 1.00 0.00 H new ATOM 0 HE1 TYR B 33 6.246 -3.912 7.252 1.00 0.00 H new ATOM 0 HE2 TYR B 33 4.762 -3.431 3.244 1.00 0.00 H new ATOM 0 HH TYR B 33 5.100 -5.423 4.190 1.00 0.00 H new ATOM 1398 N PHE B 34 6.304 3.186 6.952 1.00 0.00 N ATOM 1399 CA PHE B 34 6.129 4.654 6.862 1.00 0.00 C ATOM 1400 C PHE B 34 7.262 5.468 7.506 1.00 0.00 C ATOM 1401 O PHE B 34 7.020 6.503 8.133 1.00 0.00 O ATOM 1402 CB PHE B 34 4.729 5.075 7.374 1.00 0.00 C ATOM 1403 CG PHE B 34 3.730 4.238 6.596 1.00 0.00 C ATOM 1404 CD1 PHE B 34 3.563 4.482 5.217 1.00 0.00 C ATOM 1405 CD2 PHE B 34 3.128 3.108 7.181 1.00 0.00 C ATOM 1406 CE1 PHE B 34 2.809 3.598 4.428 1.00 0.00 C ATOM 1407 CE2 PHE B 34 2.376 2.221 6.389 1.00 0.00 C ATOM 1408 CZ PHE B 34 2.217 2.466 5.014 1.00 0.00 C ATOM 0 H PHE B 34 5.851 2.741 7.750 1.00 0.00 H new ATOM 0 HA PHE B 34 6.192 4.902 5.802 1.00 0.00 H new ATOM 0 HB2 PHE B 34 4.636 4.898 8.445 1.00 0.00 H new ATOM 0 HB3 PHE B 34 4.558 6.139 7.211 1.00 0.00 H new ATOM 0 HD1 PHE B 34 4.017 5.352 4.766 1.00 0.00 H new ATOM 0 HD2 PHE B 34 3.243 2.922 8.239 1.00 0.00 H new ATOM 0 HE1 PHE B 34 2.684 3.788 3.372 1.00 0.00 H new ATOM 0 HE2 PHE B 34 1.920 1.351 6.838 1.00 0.00 H new ATOM 0 HZ PHE B 34 1.640 1.784 4.408 1.00 0.00 H new ATOM 1418 N ASN B 35 8.500 4.975 7.355 1.00 0.00 N ATOM 1419 CA ASN B 35 9.688 5.604 7.901 1.00 0.00 C ATOM 1420 C ASN B 35 10.424 6.475 6.868 1.00 0.00 C ATOM 1421 O ASN B 35 11.223 7.342 7.231 1.00 0.00 O ATOM 1422 CB ASN B 35 10.579 4.435 8.355 1.00 0.00 C ATOM 1423 CG ASN B 35 12.061 4.787 8.409 1.00 0.00 C ATOM 1424 OD1 ASN B 35 12.581 5.514 7.568 1.00 0.00 O ATOM 1425 ND2 ASN B 35 12.681 4.482 9.527 1.00 0.00 N ATOM 0 H ASN B 35 8.695 4.116 6.841 1.00 0.00 H new ATOM 0 HA ASN B 35 9.430 6.282 8.714 1.00 0.00 H new ATOM 0 HB2 ASN B 35 10.256 4.104 9.342 1.00 0.00 H new ATOM 0 HB3 ASN B 35 10.437 3.595 7.675 1.00 0.00 H new ATOM 0 HD21 ASN B 35 13.614 4.852 9.710 1.00 0.00 H new ATOM 0 HD22 ASN B 35 12.229 3.876 10.212 1.00 0.00 H new ATOM 1432 N ASP B 36 10.197 6.211 5.593 1.00 0.00 N ATOM 1433 CA ASP B 36 10.873 6.926 4.521 1.00 0.00 C ATOM 1434 C ASP B 36 9.805 7.192 3.443 1.00 0.00 C ATOM 1435 O ASP B 36 9.050 8.100 3.643 1.00 0.00 O ATOM 1436 CB ASP B 36 12.094 6.055 4.139 1.00 0.00 C ATOM 1437 CG ASP B 36 12.998 6.785 3.168 1.00 0.00 C ATOM 1438 OD1 ASP B 36 12.730 6.686 1.949 1.00 0.00 O ATOM 1439 OD2 ASP B 36 13.597 7.773 3.655 1.00 0.00 O ATOM 0 H ASP B 36 9.542 5.498 5.271 1.00 0.00 H new ATOM 0 HA ASP B 36 11.284 7.908 4.755 1.00 0.00 H new ATOM 0 HB2 ASP B 36 12.654 5.794 5.037 1.00 0.00 H new ATOM 0 HB3 ASP B 36 11.754 5.121 3.693 1.00 0.00 H new ATOM 1444 N ASN B 37 9.766 6.597 2.270 1.00 0.00 N ATOM 1445 CA ASN B 37 8.758 6.944 1.228 1.00 0.00 C ATOM 1446 C ASN B 37 8.408 8.423 1.150 1.00 0.00 C ATOM 1447 O ASN B 37 7.329 8.777 0.677 1.00 0.00 O ATOM 1448 CB ASN B 37 7.454 6.092 1.339 1.00 0.00 C ATOM 1449 CG ASN B 37 7.501 5.226 2.567 1.00 0.00 C ATOM 1450 OD1 ASN B 37 8.437 4.435 2.528 1.00 0.00 O ATOM 1451 ND2 ASN B 37 6.465 5.003 3.347 1.00 0.00 N ATOM 0 H ASN B 37 10.416 5.862 1.990 1.00 0.00 H new ATOM 0 HA ASN B 37 9.263 6.693 0.295 1.00 0.00 H new ATOM 0 HB2 ASN B 37 6.585 6.748 1.381 1.00 0.00 H new ATOM 0 HB3 ASN B 37 7.341 5.470 0.451 1.00 0.00 H new ATOM 0 HD21 ASN B 37 6.435 4.165 3.928 1.00 0.00 H new ATOM 0 HD22 ASN B 37 5.692 5.668 3.371 1.00 0.00 H new ATOM 1458 N GLY B 38 9.313 9.279 1.572 1.00 0.00 N ATOM 1459 CA GLY B 38 9.064 10.714 1.505 1.00 0.00 C ATOM 1460 C GLY B 38 7.871 11.102 2.373 1.00 0.00 C ATOM 1461 O GLY B 38 7.781 12.234 2.844 1.00 0.00 O ATOM 0 H GLY B 38 10.219 9.017 1.961 1.00 0.00 H new ATOM 0 HA2 GLY B 38 9.950 11.256 1.835 1.00 0.00 H new ATOM 0 HA3 GLY B 38 8.877 11.007 0.472 1.00 0.00 H new ATOM 1465 N VAL B 39 6.955 10.161 2.587 1.00 0.00 N ATOM 1466 CA VAL B 39 5.792 10.430 3.399 1.00 0.00 C ATOM 1467 C VAL B 39 6.247 10.737 4.826 1.00 0.00 C ATOM 1468 O VAL B 39 5.786 11.712 5.420 1.00 0.00 O ATOM 1469 CB VAL B 39 4.826 9.206 3.327 1.00 0.00 C ATOM 1470 CG1 VAL B 39 4.982 8.279 4.530 1.00 0.00 C ATOM 1471 CG2 VAL B 39 3.356 9.642 3.259 1.00 0.00 C ATOM 0 H VAL B 39 7.003 9.215 2.209 1.00 0.00 H new ATOM 0 HA VAL B 39 5.245 11.299 3.032 1.00 0.00 H new ATOM 0 HB VAL B 39 5.099 8.674 2.416 1.00 0.00 H new ATOM 0 HG11 VAL B 39 4.290 7.442 4.436 1.00 0.00 H new ATOM 0 HG12 VAL B 39 6.004 7.902 4.569 1.00 0.00 H new ATOM 0 HG13 VAL B 39 4.763 8.830 5.445 1.00 0.00 H new ATOM 0 HG21 VAL B 39 2.717 8.760 3.210 1.00 0.00 H new ATOM 0 HG22 VAL B 39 3.107 10.222 4.148 1.00 0.00 H new ATOM 0 HG23 VAL B 39 3.199 10.254 2.371 1.00 0.00 H new ATOM 1481 N ASP B 40 7.168 9.888 5.346 1.00 0.00 N ATOM 1482 CA ASP B 40 7.721 10.023 6.712 1.00 0.00 C ATOM 1483 C ASP B 40 6.738 10.818 7.575 1.00 0.00 C ATOM 1484 O ASP B 40 7.106 11.746 8.295 1.00 0.00 O ATOM 1485 CB ASP B 40 9.085 10.725 6.672 1.00 0.00 C ATOM 1486 CG ASP B 40 8.945 12.234 6.482 1.00 0.00 C ATOM 1487 OD1 ASP B 40 8.126 12.684 5.644 1.00 0.00 O ATOM 1488 OD2 ASP B 40 9.728 12.986 7.115 1.00 0.00 O ATOM 0 H ASP B 40 7.546 9.093 4.830 1.00 0.00 H new ATOM 0 HA ASP B 40 7.863 9.032 7.143 1.00 0.00 H new ATOM 0 HB2 ASP B 40 9.624 10.524 7.598 1.00 0.00 H new ATOM 0 HB3 ASP B 40 9.682 10.311 5.860 1.00 0.00 H new ATOM 1493 N GLY B 41 5.469 10.492 7.375 1.00 0.00 N ATOM 1494 CA GLY B 41 4.362 11.201 7.992 1.00 0.00 C ATOM 1495 C GLY B 41 4.365 11.247 9.503 1.00 0.00 C ATOM 1496 O GLY B 41 5.100 10.526 10.179 1.00 0.00 O ATOM 0 H GLY B 41 5.178 9.721 6.774 1.00 0.00 H new ATOM 0 HA2 GLY B 41 4.358 12.224 7.617 1.00 0.00 H new ATOM 0 HA3 GLY B 41 3.432 10.737 7.664 1.00 0.00 H new ATOM 1500 N GLU B 42 3.488 12.117 10.011 1.00 0.00 N ATOM 1501 CA GLU B 42 3.317 12.291 11.439 1.00 0.00 C ATOM 1502 C GLU B 42 2.585 11.092 11.993 1.00 0.00 C ATOM 1503 O GLU B 42 1.439 10.818 11.633 1.00 0.00 O ATOM 1504 CB GLU B 42 2.493 13.556 11.747 1.00 0.00 C ATOM 1505 CG GLU B 42 3.383 14.800 11.756 1.00 0.00 C ATOM 1506 CD GLU B 42 3.764 15.179 10.327 1.00 0.00 C ATOM 1507 OE1 GLU B 42 2.979 14.852 9.410 1.00 0.00 O ATOM 1508 OE2 GLU B 42 4.825 15.812 10.129 1.00 0.00 O ATOM 0 H GLU B 42 2.886 12.712 9.442 1.00 0.00 H new ATOM 0 HA GLU B 42 4.301 12.393 11.896 1.00 0.00 H new ATOM 0 HB2 GLU B 42 1.706 13.673 11.002 1.00 0.00 H new ATOM 0 HB3 GLU B 42 2.002 13.448 12.714 1.00 0.00 H new ATOM 0 HG2 GLU B 42 2.860 15.628 12.234 1.00 0.00 H new ATOM 0 HG3 GLU B 42 4.282 14.610 12.343 1.00 0.00 H new ATOM 1515 N TRP B 43 3.280 10.354 12.821 1.00 0.00 N ATOM 1516 CA TRP B 43 2.709 9.148 13.376 1.00 0.00 C ATOM 1517 C TRP B 43 1.680 9.425 14.420 1.00 0.00 C ATOM 1518 O TRP B 43 1.795 10.335 15.239 1.00 0.00 O ATOM 1519 CB TRP B 43 3.805 8.211 13.894 1.00 0.00 C ATOM 1520 CG TRP B 43 4.013 7.236 12.858 1.00 0.00 C ATOM 1521 CD1 TRP B 43 4.378 7.509 11.585 1.00 0.00 C ATOM 1522 CD2 TRP B 43 3.825 5.784 12.910 1.00 0.00 C ATOM 1523 NE1 TRP B 43 4.407 6.345 10.844 1.00 0.00 N ATOM 1524 CE2 TRP B 43 4.060 5.253 11.604 1.00 0.00 C ATOM 1525 CE3 TRP B 43 3.471 4.861 13.922 1.00 0.00 C ATOM 1526 CZ2 TRP B 43 3.934 3.885 11.313 1.00 0.00 C ATOM 1527 CZ3 TRP B 43 3.346 3.487 13.640 1.00 0.00 C ATOM 1528 CH2 TRP B 43 3.568 3.001 12.340 1.00 0.00 C ATOM 0 H TRP B 43 4.231 10.561 13.125 1.00 0.00 H new ATOM 0 HA TRP B 43 2.187 8.641 12.565 1.00 0.00 H new ATOM 0 HB2 TRP B 43 4.723 8.761 14.102 1.00 0.00 H new ATOM 0 HB3 TRP B 43 3.502 7.733 14.825 1.00 0.00 H new ATOM 0 HD1 TRP B 43 4.612 8.492 11.204 1.00 0.00 H new ATOM 0 HE1 TRP B 43 4.655 6.300 9.856 1.00 0.00 H new ATOM 0 HE3 TRP B 43 3.294 5.216 14.927 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 4.116 3.518 10.314 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 3.077 2.801 14.429 1.00 0.00 H new ATOM 0 HH2 TRP B 43 3.457 1.947 12.131 1.00 0.00 H new ATOM 1539 N THR B 44 0.691 8.545 14.406 1.00 0.00 N ATOM 1540 CA THR B 44 -0.376 8.578 15.373 1.00 0.00 C ATOM 1541 C THR B 44 -0.868 7.161 15.616 1.00 0.00 C ATOM 1542 O THR B 44 -0.749 6.289 14.753 1.00 0.00 O ATOM 1543 CB THR B 44 -1.495 9.509 14.890 1.00 0.00 C ATOM 1544 OG1 THR B 44 -1.329 9.749 13.500 1.00 0.00 O ATOM 1545 CG2 THR B 44 -1.400 10.830 15.633 1.00 0.00 C ATOM 0 H THR B 44 0.612 7.792 13.722 1.00 0.00 H new ATOM 0 HA THR B 44 -0.017 8.978 16.321 1.00 0.00 H new ATOM 0 HB THR B 44 -2.465 9.048 15.076 1.00 0.00 H new ATOM 0 HG1 THR B 44 -1.148 8.902 13.041 1.00 0.00 H new ATOM 0 HG21 THR B 44 -2.193 11.496 15.294 1.00 0.00 H new ATOM 0 HG22 THR B 44 -1.507 10.654 16.703 1.00 0.00 H new ATOM 0 HG23 THR B 44 -0.431 11.289 15.436 1.00 0.00 H new ATOM 1553 N TYR B 45 -1.414 6.943 16.791 1.00 0.00 N ATOM 1554 CA TYR B 45 -1.923 5.641 17.173 1.00 0.00 C ATOM 1555 C TYR B 45 -3.245 5.799 17.910 1.00 0.00 C ATOM 1556 O TYR B 45 -3.358 6.614 18.823 1.00 0.00 O ATOM 1557 CB TYR B 45 -0.878 4.984 18.057 1.00 0.00 C ATOM 1558 CG TYR B 45 -1.301 3.580 18.455 1.00 0.00 C ATOM 1559 CD1 TYR B 45 -1.647 2.621 17.484 1.00 0.00 C ATOM 1560 CD2 TYR B 45 -1.348 3.229 19.819 1.00 0.00 C ATOM 1561 CE1 TYR B 45 -2.032 1.325 17.867 1.00 0.00 C ATOM 1562 CE2 TYR B 45 -1.730 1.928 20.201 1.00 0.00 C ATOM 1563 CZ TYR B 45 -2.075 0.978 19.226 1.00 0.00 C ATOM 1564 OH TYR B 45 -2.450 -0.297 19.599 1.00 0.00 O ATOM 0 H TYR B 45 -1.519 7.660 17.509 1.00 0.00 H new ATOM 0 HA TYR B 45 -2.109 5.020 16.297 1.00 0.00 H new ATOM 0 HB2 TYR B 45 0.075 4.944 17.530 1.00 0.00 H new ATOM 0 HB3 TYR B 45 -0.723 5.587 18.951 1.00 0.00 H new ATOM 0 HD1 TYR B 45 -1.616 2.883 16.437 1.00 0.00 H new ATOM 0 HD2 TYR B 45 -1.091 3.959 20.573 1.00 0.00 H new ATOM 0 HE1 TYR B 45 -2.295 0.596 17.115 1.00 0.00 H new ATOM 0 HE2 TYR B 45 -1.758 1.660 21.247 1.00 0.00 H new ATOM 0 HH TYR B 45 -2.680 -0.817 18.801 1.00 0.00 H new ATOM 1574 N ASP B 46 -4.231 4.977 17.549 1.00 0.00 N ATOM 1575 CA ASP B 46 -5.533 4.995 18.222 1.00 0.00 C ATOM 1576 C ASP B 46 -5.906 3.581 18.682 1.00 0.00 C ATOM 1577 O ASP B 46 -5.979 2.660 17.872 1.00 0.00 O ATOM 1578 CB ASP B 46 -6.609 5.585 17.299 1.00 0.00 C ATOM 1579 CG ASP B 46 -6.780 4.746 16.041 1.00 0.00 C ATOM 1580 OD1 ASP B 46 -7.165 3.556 16.171 1.00 0.00 O ATOM 1581 OD2 ASP B 46 -6.603 5.271 14.914 1.00 0.00 O ATOM 0 H ASP B 46 -4.155 4.292 16.797 1.00 0.00 H new ATOM 0 HA ASP B 46 -5.468 5.633 19.103 1.00 0.00 H new ATOM 0 HB2 ASP B 46 -7.558 5.641 17.833 1.00 0.00 H new ATOM 0 HB3 ASP B 46 -6.337 6.604 17.025 1.00 0.00 H new ATOM 1586 N ASP B 47 -6.143 3.398 19.977 1.00 0.00 N ATOM 1587 CA ASP B 47 -6.518 2.074 20.474 1.00 0.00 C ATOM 1588 C ASP B 47 -8.016 1.853 20.252 1.00 0.00 C ATOM 1589 O ASP B 47 -8.446 0.791 19.805 1.00 0.00 O ATOM 1590 CB ASP B 47 -6.173 1.952 21.971 1.00 0.00 C ATOM 1591 CG ASP B 47 -5.647 0.554 22.303 1.00 0.00 C ATOM 1592 OD1 ASP B 47 -6.083 -0.438 21.672 1.00 0.00 O ATOM 1593 OD2 ASP B 47 -4.776 0.444 23.197 1.00 0.00 O ATOM 0 H ASP B 47 -6.085 4.127 20.688 1.00 0.00 H new ATOM 0 HA ASP B 47 -5.960 1.312 19.930 1.00 0.00 H new ATOM 0 HB2 ASP B 47 -5.424 2.698 22.237 1.00 0.00 H new ATOM 0 HB3 ASP B 47 -7.059 2.162 22.570 1.00 0.00 H new ATOM 1598 N ALA B 48 -8.807 2.862 20.615 1.00 0.00 N ATOM 1599 CA ALA B 48 -10.261 2.763 20.512 1.00 0.00 C ATOM 1600 C ALA B 48 -10.659 2.146 19.186 1.00 0.00 C ATOM 1601 O ALA B 48 -11.750 1.593 19.056 1.00 0.00 O ATOM 1602 CB ALA B 48 -10.887 4.152 20.640 1.00 0.00 C ATOM 0 H ALA B 48 -8.468 3.752 20.981 1.00 0.00 H new ATOM 0 HA ALA B 48 -10.623 2.126 21.319 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -11.971 4.071 20.562 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -10.624 4.582 21.606 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -10.513 4.794 19.843 1.00 0.00 H new ATOM 1608 N THR B 49 -9.764 2.207 18.207 1.00 0.00 N ATOM 1609 CA THR B 49 -10.026 1.602 16.901 1.00 0.00 C ATOM 1610 C THR B 49 -8.897 0.606 16.593 1.00 0.00 C ATOM 1611 O THR B 49 -8.987 -0.188 15.657 1.00 0.00 O ATOM 1612 CB THR B 49 -10.130 2.689 15.809 1.00 0.00 C ATOM 1613 OG1 THR B 49 -9.025 2.589 14.945 1.00 0.00 O ATOM 1614 CG2 THR B 49 -10.143 4.088 16.436 1.00 0.00 C ATOM 0 H THR B 49 -8.856 2.665 18.289 1.00 0.00 H new ATOM 0 HA THR B 49 -10.979 1.074 16.918 1.00 0.00 H new ATOM 0 HB THR B 49 -11.058 2.538 15.258 1.00 0.00 H new ATOM 0 HG1 THR B 49 -8.206 2.816 15.434 1.00 0.00 H new ATOM 0 HG21 THR B 49 -10.217 4.839 15.649 1.00 0.00 H new ATOM 0 HG22 THR B 49 -10.998 4.179 17.105 1.00 0.00 H new ATOM 0 HG23 THR B 49 -9.223 4.243 17.000 1.00 0.00 H new ATOM 1622 N LYS B 50 -7.809 0.716 17.358 1.00 0.00 N ATOM 1623 CA LYS B 50 -6.642 -0.131 17.144 1.00 0.00 C ATOM 1624 C LYS B 50 -6.095 0.181 15.765 1.00 0.00 C ATOM 1625 O LYS B 50 -5.632 -0.694 15.048 1.00 0.00 O ATOM 1626 CB LYS B 50 -7.013 -1.626 17.206 1.00 0.00 C ATOM 1627 CG LYS B 50 -7.884 -1.945 18.447 1.00 0.00 C ATOM 1628 CD LYS B 50 -9.400 -1.780 18.159 1.00 0.00 C ATOM 1629 CE LYS B 50 -10.199 -2.882 18.868 1.00 0.00 C ATOM 1630 NZ LYS B 50 -9.799 -2.956 20.301 1.00 0.00 N ATOM 0 H LYS B 50 -7.715 1.380 18.126 1.00 0.00 H new ATOM 0 HA LYS B 50 -5.907 0.067 17.924 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -7.552 -1.906 16.301 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -6.104 -2.227 17.234 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -7.687 -2.966 18.774 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -7.598 -1.287 19.268 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -9.737 -0.801 18.499 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -9.580 -1.824 17.085 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -11.267 -2.677 18.790 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -10.022 -3.841 18.382 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -10.590 -3.329 20.864 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -8.977 -3.585 20.400 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -9.550 -2.005 20.641 1.00 0.00 H new ATOM 1644 N THR B 51 -6.191 1.447 15.394 1.00 0.00 N ATOM 1645 CA THR B 51 -5.753 1.886 14.070 1.00 0.00 C ATOM 1646 C THR B 51 -4.642 2.911 14.123 1.00 0.00 C ATOM 1647 O THR B 51 -4.550 3.738 15.029 1.00 0.00 O ATOM 1648 CB THR B 51 -6.940 2.482 13.313 1.00 0.00 C ATOM 1649 OG1 THR B 51 -7.981 1.521 13.243 1.00 0.00 O ATOM 1650 CG2 THR B 51 -6.547 2.877 11.888 1.00 0.00 C ATOM 0 H THR B 51 -6.566 2.189 15.984 1.00 0.00 H new ATOM 0 HA THR B 51 -5.361 1.006 13.559 1.00 0.00 H new ATOM 0 HB THR B 51 -7.270 3.373 13.848 1.00 0.00 H new ATOM 0 HG1 THR B 51 -8.592 1.645 13.999 1.00 0.00 H new ATOM 0 HG21 THR B 51 -7.412 3.298 11.375 1.00 0.00 H new ATOM 0 HG22 THR B 51 -5.750 3.619 11.923 1.00 0.00 H new ATOM 0 HG23 THR B 51 -6.199 1.996 11.349 1.00 0.00 H new ATOM 1658 N PHE B 52 -3.811 2.817 13.110 1.00 0.00 N ATOM 1659 CA PHE B 52 -2.673 3.691 12.927 1.00 0.00 C ATOM 1660 C PHE B 52 -3.088 4.842 12.043 1.00 0.00 C ATOM 1661 O PHE B 52 -4.009 4.711 11.233 1.00 0.00 O ATOM 1662 CB PHE B 52 -1.502 2.922 12.338 1.00 0.00 C ATOM 1663 CG PHE B 52 -0.944 2.036 13.413 1.00 0.00 C ATOM 1664 CD1 PHE B 52 -1.487 0.752 13.621 1.00 0.00 C ATOM 1665 CD2 PHE B 52 0.132 2.478 14.204 1.00 0.00 C ATOM 1666 CE1 PHE B 52 -0.968 -0.080 14.629 1.00 0.00 C ATOM 1667 CE2 PHE B 52 0.644 1.650 15.216 1.00 0.00 C ATOM 1668 CZ PHE B 52 0.086 0.379 15.436 1.00 0.00 C ATOM 0 H PHE B 52 -3.909 2.117 12.375 1.00 0.00 H new ATOM 0 HA PHE B 52 -2.343 4.086 13.888 1.00 0.00 H new ATOM 0 HB2 PHE B 52 -1.827 2.327 11.484 1.00 0.00 H new ATOM 0 HB3 PHE B 52 -0.738 3.610 11.975 1.00 0.00 H new ATOM 0 HD1 PHE B 52 -2.304 0.406 13.005 1.00 0.00 H new ATOM 0 HD2 PHE B 52 0.564 3.453 14.033 1.00 0.00 H new ATOM 0 HE1 PHE B 52 -1.378 -1.067 14.782 1.00 0.00 H new ATOM 0 HE2 PHE B 52 1.468 1.990 15.826 1.00 0.00 H new ATOM 0 HZ PHE B 52 0.469 -0.247 16.228 1.00 0.00 H new ATOM 1678 N THR B 53 -2.362 5.949 12.153 1.00 0.00 N ATOM 1679 CA THR B 53 -2.645 7.090 11.297 1.00 0.00 C ATOM 1680 C THR B 53 -1.366 7.695 10.732 1.00 0.00 C ATOM 1681 O THR B 53 -0.587 8.339 11.434 1.00 0.00 O ATOM 1682 CB THR B 53 -3.438 8.129 12.092 1.00 0.00 C ATOM 1683 OG1 THR B 53 -4.766 7.661 12.278 1.00 0.00 O ATOM 1684 CG2 THR B 53 -3.473 9.468 11.351 1.00 0.00 C ATOM 0 H THR B 53 -1.592 6.078 12.810 1.00 0.00 H new ATOM 0 HA THR B 53 -3.239 6.754 10.447 1.00 0.00 H new ATOM 0 HB THR B 53 -2.952 8.277 13.057 1.00 0.00 H new ATOM 0 HG1 THR B 53 -5.278 8.323 12.789 1.00 0.00 H new ATOM 0 HG21 THR B 53 -4.042 10.192 11.934 1.00 0.00 H new ATOM 0 HG22 THR B 53 -2.456 9.833 11.212 1.00 0.00 H new ATOM 0 HG23 THR B 53 -3.946 9.333 10.378 1.00 0.00 H new ATOM 1692 N VAL B 54 -1.178 7.446 9.446 1.00 0.00 N ATOM 1693 CA VAL B 54 0.002 7.943 8.731 1.00 0.00 C ATOM 1694 C VAL B 54 -0.331 9.305 8.132 1.00 0.00 C ATOM 1695 O VAL B 54 -1.352 9.443 7.447 1.00 0.00 O ATOM 1696 CB VAL B 54 0.419 6.954 7.639 1.00 0.00 C ATOM 1697 CG1 VAL B 54 1.443 7.602 6.695 1.00 0.00 C ATOM 1698 CG2 VAL B 54 1.035 5.711 8.288 1.00 0.00 C ATOM 0 H VAL B 54 -1.823 6.904 8.870 1.00 0.00 H new ATOM 0 HA VAL B 54 0.840 8.045 9.421 1.00 0.00 H new ATOM 0 HB VAL B 54 -0.461 6.671 7.062 1.00 0.00 H new ATOM 0 HG11 VAL B 54 1.730 6.887 5.924 1.00 0.00 H new ATOM 0 HG12 VAL B 54 1.001 8.482 6.228 1.00 0.00 H new ATOM 0 HG13 VAL B 54 2.325 7.897 7.263 1.00 0.00 H new ATOM 0 HG21 VAL B 54 1.333 5.005 7.512 1.00 0.00 H new ATOM 0 HG22 VAL B 54 1.910 6.000 8.871 1.00 0.00 H new ATOM 0 HG23 VAL B 54 0.302 5.242 8.944 1.00 0.00 H new ATOM 1708 N THR B 55 0.557 10.298 8.349 1.00 0.00 N ATOM 1709 CA THR B 55 0.308 11.631 7.765 1.00 0.00 C ATOM 1710 C THR B 55 1.526 12.408 7.234 1.00 0.00 C ATOM 1711 O THR B 55 2.256 13.053 7.980 1.00 0.00 O ATOM 1712 CB THR B 55 -0.446 12.484 8.792 1.00 0.00 C ATOM 1713 OG1 THR B 55 -1.697 11.874 9.077 1.00 0.00 O ATOM 1714 CG2 THR B 55 -0.686 13.889 8.234 1.00 0.00 C ATOM 0 H THR B 55 1.413 10.211 8.897 1.00 0.00 H new ATOM 0 HA THR B 55 -0.276 11.433 6.866 1.00 0.00 H new ATOM 0 HB THR B 55 0.149 12.558 9.702 1.00 0.00 H new ATOM 0 HG1 THR B 55 -2.182 12.415 9.734 1.00 0.00 H new ATOM 0 HG21 THR B 55 -1.222 14.487 8.971 1.00 0.00 H new ATOM 0 HG22 THR B 55 0.271 14.361 8.011 1.00 0.00 H new ATOM 0 HG23 THR B 55 -1.278 13.822 7.321 1.00 0.00 H new ATOM 1722 N GLU B 56 1.670 12.290 5.916 1.00 0.00 N ATOM 1723 CA GLU B 56 2.753 12.932 5.135 1.00 0.00 C ATOM 1724 C GLU B 56 3.530 13.955 5.972 1.00 0.00 C ATOM 1725 O GLU B 56 4.745 13.859 6.015 1.00 0.00 O ATOM 1726 CB GLU B 56 2.179 13.649 3.903 1.00 0.00 C ATOM 1727 CG GLU B 56 3.239 13.702 2.800 1.00 0.00 C ATOM 1728 CD GLU B 56 4.486 14.427 3.297 1.00 0.00 C ATOM 1729 OE1 GLU B 56 4.370 15.557 3.819 1.00 0.00 O ATOM 1730 OE2 GLU B 56 5.591 13.858 3.143 1.00 0.00 O ATOM 1731 OXT GLU B 56 2.893 14.815 6.557 1.00 0.00 O ATOM 0 H GLU B 56 1.033 11.739 5.341 1.00 0.00 H new ATOM 0 HA GLU B 56 3.432 12.137 4.827 1.00 0.00 H new ATOM 0 HB2 GLU B 56 1.293 13.125 3.545 1.00 0.00 H new ATOM 0 HB3 GLU B 56 1.866 14.659 4.170 1.00 0.00 H new ATOM 0 HG2 GLU B 56 3.499 12.691 2.487 1.00 0.00 H new ATOM 0 HG3 GLU B 56 2.838 14.213 1.925 1.00 0.00 H new TER 1738 GLU B 56