USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 606 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 TYR OH : rot -12:sc= 1.21 USER MOD Set 1.2: A 55 SER OG : rot -16:sc= 1.2 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ -143:sc= 1.32 (180deg=0.112) USER MOD Single : A 2 LYS NZ :NH3+ -158:sc= 1.28 (180deg=1.21) USER MOD Single : A 4 TYR OH : rot 15:sc= 1.24 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0.409 K(o=0.41,f=-0.39) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.174 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0.996 K(o=1,f=-7.3!) USER MOD Single : A 30 TYR OH : rot 30:sc= 0.469 USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 0.112 K(o=0.11,f=-1) USER MOD Single : A 36 LYS NZ :NH3+ 150:sc= 0 (180deg=-0.025) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0257) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -127:sc= -0.531 (180deg=-2.63!) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 1:sc= 0.245 USER MOD Single : A 76 CYS SG : rot 180:sc= 0.00138 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 11.124 -9.558 2.914 1.00 0.00 N ATOM 2 CA MET A 0 12.164 -8.518 2.899 1.00 0.00 C ATOM 3 C MET A 0 11.903 -7.527 1.780 1.00 0.00 C ATOM 4 O MET A 0 11.078 -7.792 0.910 1.00 0.00 O ATOM 5 CB MET A 0 13.582 -9.109 2.838 1.00 0.00 C ATOM 6 CG MET A 0 13.948 -9.827 1.532 1.00 0.00 C ATOM 7 SD MET A 0 13.056 -11.372 1.218 1.00 0.00 S ATOM 8 CE MET A 0 13.744 -11.804 -0.403 1.00 0.00 C ATOM 0 H1 MET A 0 10.903 -9.814 3.898 1.00 0.00 H new ATOM 0 H2 MET A 0 10.266 -9.198 2.449 1.00 0.00 H new ATOM 0 H3 MET A 0 11.466 -10.398 2.406 1.00 0.00 H new ATOM 0 HA MET A 0 12.111 -7.978 3.844 1.00 0.00 H new ATOM 0 HB2 MET A 0 14.299 -8.304 3.002 1.00 0.00 H new ATOM 0 HB3 MET A 0 13.699 -9.812 3.663 1.00 0.00 H new ATOM 0 HG2 MET A 0 13.766 -9.147 0.700 1.00 0.00 H new ATOM 0 HG3 MET A 0 15.017 -10.040 1.542 1.00 0.00 H new ATOM 0 HE1 MET A 0 13.301 -12.738 -0.749 1.00 0.00 H new ATOM 0 HE2 MET A 0 13.521 -11.010 -1.116 1.00 0.00 H new ATOM 0 HE3 MET A 0 14.824 -11.924 -0.319 1.00 0.00 H new ATOM 18 N GLY A 1 12.588 -6.382 1.792 1.00 0.00 N ATOM 19 CA GLY A 1 12.520 -5.382 0.729 1.00 0.00 C ATOM 20 C GLY A 1 11.263 -4.517 0.765 1.00 0.00 C ATOM 21 O GLY A 1 11.108 -3.632 -0.073 1.00 0.00 O ATOM 0 H GLY A 1 13.215 -6.121 2.553 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.395 -4.735 0.797 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.572 -5.888 -0.235 1.00 0.00 H new ATOM 25 N LYS A 2 10.357 -4.763 1.706 1.00 0.00 N ATOM 26 CA LYS A 2 9.094 -4.068 1.806 1.00 0.00 C ATOM 27 C LYS A 2 9.308 -2.605 2.179 1.00 0.00 C ATOM 28 O LYS A 2 9.851 -2.383 3.261 1.00 0.00 O ATOM 29 CB LYS A 2 8.260 -4.792 2.872 1.00 0.00 C ATOM 30 CG LYS A 2 6.882 -4.161 3.086 1.00 0.00 C ATOM 31 CD LYS A 2 6.589 -3.781 4.550 1.00 0.00 C ATOM 32 CE LYS A 2 7.154 -2.407 4.913 1.00 0.00 C ATOM 33 NZ LYS A 2 6.803 -2.023 6.290 1.00 0.00 N ATOM 0 H LYS A 2 10.490 -5.467 2.432 1.00 0.00 H new ATOM 0 HA LYS A 2 8.575 -4.075 0.848 1.00 0.00 H new ATOM 0 HB2 LYS A 2 8.134 -5.835 2.580 1.00 0.00 H new ATOM 0 HB3 LYS A 2 8.805 -4.789 3.816 1.00 0.00 H new ATOM 0 HG2 LYS A 2 6.802 -3.268 2.466 1.00 0.00 H new ATOM 0 HG3 LYS A 2 6.117 -4.857 2.742 1.00 0.00 H new ATOM 0 HD2 LYS A 2 5.512 -3.785 4.716 1.00 0.00 H new ATOM 0 HD3 LYS A 2 7.016 -4.534 5.212 1.00 0.00 H new ATOM 0 HE2 LYS A 2 8.238 -2.418 4.803 1.00 0.00 H new ATOM 0 HE3 LYS A 2 6.771 -1.660 4.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 6.860 -0.989 6.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 5.835 -2.338 6.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 7.466 -2.470 6.955 1.00 0.00 H new ATOM 47 N ASP A 3 8.815 -1.650 1.378 1.00 0.00 N ATOM 48 CA ASP A 3 8.581 -0.304 1.881 1.00 0.00 C ATOM 49 C ASP A 3 7.110 0.085 1.860 1.00 0.00 C ATOM 50 O ASP A 3 6.626 0.465 2.915 1.00 0.00 O ATOM 51 CB ASP A 3 9.400 0.764 1.166 1.00 0.00 C ATOM 52 CG ASP A 3 10.918 0.629 1.141 1.00 0.00 C ATOM 53 OD1 ASP A 3 11.512 -0.194 1.868 1.00 0.00 O ATOM 54 OD2 ASP A 3 11.539 1.446 0.428 1.00 0.00 O ATOM 0 H ASP A 3 8.576 -1.788 0.396 1.00 0.00 H new ATOM 0 HA ASP A 3 8.917 -0.344 2.917 1.00 0.00 H new ATOM 0 HB2 ASP A 3 9.055 0.808 0.133 1.00 0.00 H new ATOM 0 HB3 ASP A 3 9.161 1.724 1.623 1.00 0.00 H new ATOM 59 N TYR A 4 6.382 -0.139 0.757 1.00 0.00 N ATOM 60 CA TYR A 4 4.924 0.080 0.659 1.00 0.00 C ATOM 61 C TYR A 4 4.325 -0.613 -0.568 1.00 0.00 C ATOM 62 O TYR A 4 3.244 -1.181 -0.450 1.00 0.00 O ATOM 63 CB TYR A 4 4.507 1.564 0.579 1.00 0.00 C ATOM 64 CG TYR A 4 4.731 2.452 1.792 1.00 0.00 C ATOM 65 CD1 TYR A 4 4.179 2.092 3.035 1.00 0.00 C ATOM 66 CD2 TYR A 4 5.453 3.657 1.679 1.00 0.00 C ATOM 67 CE1 TYR A 4 4.386 2.890 4.168 1.00 0.00 C ATOM 68 CE2 TYR A 4 5.613 4.492 2.799 1.00 0.00 C ATOM 69 CZ TYR A 4 5.098 4.102 4.055 1.00 0.00 C ATOM 70 OH TYR A 4 5.273 4.907 5.139 1.00 0.00 O ATOM 0 H TYR A 4 6.793 -0.484 -0.110 1.00 0.00 H new ATOM 0 HA TYR A 4 4.540 -0.345 1.587 1.00 0.00 H new ATOM 0 HB2 TYR A 4 5.038 2.012 -0.261 1.00 0.00 H new ATOM 0 HB3 TYR A 4 3.445 1.596 0.338 1.00 0.00 H new ATOM 0 HD1 TYR A 4 3.589 1.191 3.117 1.00 0.00 H new ATOM 0 HD2 TYR A 4 5.884 3.940 0.730 1.00 0.00 H new ATOM 0 HE1 TYR A 4 4.001 2.577 5.127 1.00 0.00 H new ATOM 0 HE2 TYR A 4 6.131 5.434 2.699 1.00 0.00 H new ATOM 0 HH TYR A 4 5.068 4.405 5.956 1.00 0.00 H new ATOM 80 N TYR A 5 4.974 -0.583 -1.747 1.00 0.00 N ATOM 81 CA TYR A 5 4.392 -1.168 -2.957 1.00 0.00 C ATOM 82 C TYR A 5 4.121 -2.646 -2.707 1.00 0.00 C ATOM 83 O TYR A 5 3.023 -3.142 -2.947 1.00 0.00 O ATOM 84 CB TYR A 5 5.327 -0.988 -4.163 1.00 0.00 C ATOM 85 CG TYR A 5 5.157 0.292 -4.960 1.00 0.00 C ATOM 86 CD1 TYR A 5 4.025 0.470 -5.776 1.00 0.00 C ATOM 87 CD2 TYR A 5 6.157 1.280 -4.946 1.00 0.00 C ATOM 88 CE1 TYR A 5 3.887 1.632 -6.556 1.00 0.00 C ATOM 89 CE2 TYR A 5 6.039 2.435 -5.738 1.00 0.00 C ATOM 90 CZ TYR A 5 4.904 2.612 -6.560 1.00 0.00 C ATOM 91 OH TYR A 5 4.806 3.694 -7.382 1.00 0.00 O ATOM 0 H TYR A 5 5.893 -0.162 -1.881 1.00 0.00 H new ATOM 0 HA TYR A 5 3.458 -0.656 -3.189 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.356 -1.036 -3.808 1.00 0.00 H new ATOM 0 HB3 TYR A 5 5.183 -1.832 -4.837 1.00 0.00 H new ATOM 0 HD1 TYR A 5 3.258 -0.290 -5.804 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.027 1.150 -4.319 1.00 0.00 H new ATOM 0 HE1 TYR A 5 3.000 1.776 -7.155 1.00 0.00 H new ATOM 0 HE2 TYR A 5 6.815 3.186 -5.718 1.00 0.00 H new ATOM 0 HH TYR A 5 5.589 4.270 -7.259 1.00 0.00 H new ATOM 101 N GLN A 6 5.113 -3.324 -2.139 1.00 0.00 N ATOM 102 CA GLN A 6 5.013 -4.701 -1.710 1.00 0.00 C ATOM 103 C GLN A 6 4.037 -5.005 -0.600 1.00 0.00 C ATOM 104 O GLN A 6 3.430 -6.075 -0.593 1.00 0.00 O ATOM 105 CB GLN A 6 6.370 -5.281 -1.368 1.00 0.00 C ATOM 106 CG GLN A 6 7.617 -4.447 -1.680 1.00 0.00 C ATOM 107 CD GLN A 6 8.873 -5.307 -1.662 1.00 0.00 C ATOM 108 OE1 GLN A 6 8.952 -6.325 -0.975 1.00 0.00 O ATOM 109 NE2 GLN A 6 9.846 -4.919 -2.463 1.00 0.00 N ATOM 0 H GLN A 6 6.030 -2.914 -1.963 1.00 0.00 H new ATOM 0 HA GLN A 6 4.592 -5.188 -2.589 1.00 0.00 H new ATOM 0 HB2 GLN A 6 6.377 -5.503 -0.301 1.00 0.00 H new ATOM 0 HB3 GLN A 6 6.467 -6.232 -1.892 1.00 0.00 H new ATOM 0 HG2 GLN A 6 7.508 -3.978 -2.658 1.00 0.00 H new ATOM 0 HG3 GLN A 6 7.713 -3.644 -0.950 1.00 0.00 H new ATOM 0 HE21 GLN A 6 9.742 -4.069 -3.017 1.00 0.00 H new ATOM 0 HE22 GLN A 6 10.702 -5.469 -2.529 1.00 0.00 H new ATOM 118 N THR A 7 3.899 -4.086 0.340 1.00 0.00 N ATOM 119 CA THR A 7 2.911 -4.204 1.412 1.00 0.00 C ATOM 120 C THR A 7 1.495 -4.231 0.816 1.00 0.00 C ATOM 121 O THR A 7 0.597 -4.899 1.330 1.00 0.00 O ATOM 122 CB THR A 7 3.016 -2.957 2.317 1.00 0.00 C ATOM 123 OG1 THR A 7 4.360 -2.643 2.571 1.00 0.00 O ATOM 124 CG2 THR A 7 2.339 -3.187 3.663 1.00 0.00 C ATOM 0 H THR A 7 4.464 -3.238 0.387 1.00 0.00 H new ATOM 0 HA THR A 7 3.098 -5.119 1.974 1.00 0.00 H new ATOM 0 HB THR A 7 2.522 -2.143 1.787 1.00 0.00 H new ATOM 0 HG1 THR A 7 4.408 -1.850 3.144 1.00 0.00 H new ATOM 0 HG21 THR A 7 2.432 -2.290 4.275 1.00 0.00 H new ATOM 0 HG22 THR A 7 1.284 -3.412 3.506 1.00 0.00 H new ATOM 0 HG23 THR A 7 2.816 -4.024 4.172 1.00 0.00 H new ATOM 132 N LEU A 8 1.341 -3.635 -0.364 1.00 0.00 N ATOM 133 CA LEU A 8 0.117 -3.575 -1.148 1.00 0.00 C ATOM 134 C LEU A 8 0.139 -4.673 -2.231 1.00 0.00 C ATOM 135 O LEU A 8 -0.820 -4.827 -2.976 1.00 0.00 O ATOM 136 CB LEU A 8 -0.018 -2.137 -1.678 1.00 0.00 C ATOM 137 CG LEU A 8 -1.436 -1.560 -1.855 1.00 0.00 C ATOM 138 CD1 LEU A 8 -2.304 -2.330 -2.840 1.00 0.00 C ATOM 139 CD2 LEU A 8 -2.196 -1.433 -0.534 1.00 0.00 C ATOM 0 H LEU A 8 2.115 -3.154 -0.822 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.775 -3.786 -0.558 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.528 -1.479 -1.001 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.485 -2.089 -2.644 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.253 -0.568 -2.268 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.285 -1.859 -2.906 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.832 -2.325 -3.822 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.418 -3.359 -2.498 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.187 -1.021 -0.723 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.293 -2.416 -0.074 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.650 -0.771 0.138 1.00 0.00 H new ATOM 151 N GLY A 9 1.189 -5.497 -2.293 1.00 0.00 N ATOM 152 CA GLY A 9 1.265 -6.691 -3.121 1.00 0.00 C ATOM 153 C GLY A 9 1.825 -6.459 -4.522 1.00 0.00 C ATOM 154 O GLY A 9 1.658 -7.342 -5.364 1.00 0.00 O ATOM 0 H GLY A 9 2.036 -5.340 -1.747 1.00 0.00 H new ATOM 0 HA2 GLY A 9 1.886 -7.430 -2.614 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.267 -7.120 -3.210 1.00 0.00 H new ATOM 158 N LEU A 10 2.455 -5.312 -4.803 1.00 0.00 N ATOM 159 CA LEU A 10 2.927 -4.938 -6.140 1.00 0.00 C ATOM 160 C LEU A 10 4.440 -4.730 -6.155 1.00 0.00 C ATOM 161 O LEU A 10 5.100 -4.732 -5.115 1.00 0.00 O ATOM 162 CB LEU A 10 2.253 -3.642 -6.619 1.00 0.00 C ATOM 163 CG LEU A 10 0.714 -3.658 -6.565 1.00 0.00 C ATOM 164 CD1 LEU A 10 0.262 -2.532 -5.641 1.00 0.00 C ATOM 165 CD2 LEU A 10 0.083 -3.473 -7.941 1.00 0.00 C ATOM 0 H LEU A 10 2.654 -4.606 -4.094 1.00 0.00 H new ATOM 0 HA LEU A 10 2.666 -5.758 -6.809 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.616 -2.814 -6.010 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.565 -3.444 -7.645 1.00 0.00 H new ATOM 0 HG LEU A 10 0.391 -4.631 -6.194 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.827 -2.522 -5.585 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.675 -2.691 -4.645 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.614 -1.577 -6.031 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.003 -3.492 -7.849 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.395 -2.516 -8.359 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.405 -4.279 -8.600 1.00 0.00 H new ATOM 177 N ALA A 11 4.966 -4.477 -7.352 1.00 0.00 N ATOM 178 CA ALA A 11 6.343 -4.102 -7.621 1.00 0.00 C ATOM 179 C ALA A 11 6.381 -2.711 -8.256 1.00 0.00 C ATOM 180 O ALA A 11 5.343 -2.148 -8.613 1.00 0.00 O ATOM 181 CB ALA A 11 6.940 -5.148 -8.571 1.00 0.00 C ATOM 0 H ALA A 11 4.408 -4.533 -8.204 1.00 0.00 H new ATOM 0 HA ALA A 11 6.923 -4.069 -6.699 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.976 -4.891 -8.791 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.902 -6.131 -8.101 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.367 -5.167 -9.498 1.00 0.00 H new ATOM 187 N ARG A 12 7.596 -2.190 -8.473 1.00 0.00 N ATOM 188 CA ARG A 12 7.819 -1.120 -9.442 1.00 0.00 C ATOM 189 C ARG A 12 7.299 -1.627 -10.788 1.00 0.00 C ATOM 190 O ARG A 12 7.913 -2.522 -11.377 1.00 0.00 O ATOM 191 CB ARG A 12 9.309 -0.757 -9.556 1.00 0.00 C ATOM 192 CG ARG A 12 9.879 0.125 -8.435 1.00 0.00 C ATOM 193 CD ARG A 12 10.386 -0.669 -7.222 1.00 0.00 C ATOM 194 NE ARG A 12 11.607 -0.050 -6.671 1.00 0.00 N ATOM 195 CZ ARG A 12 12.872 -0.392 -6.947 1.00 0.00 C ATOM 196 NH1 ARG A 12 13.166 -1.561 -7.501 1.00 0.00 N ATOM 197 NH2 ARG A 12 13.837 0.466 -6.663 1.00 0.00 N ATOM 0 H ARG A 12 8.439 -2.496 -7.987 1.00 0.00 H new ATOM 0 HA ARG A 12 7.299 -0.216 -9.125 1.00 0.00 H new ATOM 0 HB2 ARG A 12 9.885 -1.682 -9.591 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.466 -0.247 -10.507 1.00 0.00 H new ATOM 0 HG2 ARG A 12 10.698 0.722 -8.836 1.00 0.00 H new ATOM 0 HG3 ARG A 12 9.108 0.822 -8.106 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.612 -0.706 -6.455 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.594 -1.698 -7.515 1.00 0.00 H new ATOM 0 HE ARG A 12 11.474 0.717 -6.012 1.00 0.00 H new ATOM 0 HH11 ARG A 12 12.421 -2.221 -7.726 1.00 0.00 H new ATOM 0 HH12 ARG A 12 14.137 -1.800 -7.702 1.00 0.00 H new ATOM 0 HH21 ARG A 12 13.611 1.367 -6.242 1.00 0.00 H new ATOM 0 HH22 ARG A 12 14.808 0.227 -6.865 1.00 0.00 H new ATOM 211 N GLY A 13 6.161 -1.118 -11.243 1.00 0.00 N ATOM 212 CA GLY A 13 5.400 -1.674 -12.350 1.00 0.00 C ATOM 213 C GLY A 13 3.907 -1.407 -12.197 1.00 0.00 C ATOM 214 O GLY A 13 3.209 -1.352 -13.210 1.00 0.00 O ATOM 0 H GLY A 13 5.732 -0.285 -10.840 1.00 0.00 H new ATOM 0 HA2 GLY A 13 5.753 -1.243 -13.287 1.00 0.00 H new ATOM 0 HA3 GLY A 13 5.574 -2.749 -12.408 1.00 0.00 H new ATOM 218 N ALA A 14 3.427 -1.197 -10.966 1.00 0.00 N ATOM 219 CA ALA A 14 2.050 -0.852 -10.640 1.00 0.00 C ATOM 220 C ALA A 14 1.577 0.348 -11.459 1.00 0.00 C ATOM 221 O ALA A 14 2.164 1.431 -11.357 1.00 0.00 O ATOM 222 CB ALA A 14 1.968 -0.521 -9.146 1.00 0.00 C ATOM 0 H ALA A 14 4.018 -1.267 -10.138 1.00 0.00 H new ATOM 0 HA ALA A 14 1.405 -1.698 -10.878 1.00 0.00 H new ATOM 0 HB1 ALA A 14 0.942 -0.260 -8.887 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.280 -1.388 -8.564 1.00 0.00 H new ATOM 0 HB3 ALA A 14 2.623 0.321 -8.923 1.00 0.00 H new ATOM 228 N SER A 15 0.524 0.188 -12.257 1.00 0.00 N ATOM 229 CA SER A 15 -0.275 1.314 -12.723 1.00 0.00 C ATOM 230 C SER A 15 -1.317 1.630 -11.675 1.00 0.00 C ATOM 231 O SER A 15 -1.605 0.801 -10.812 1.00 0.00 O ATOM 232 CB SER A 15 -0.950 0.951 -14.047 1.00 0.00 C ATOM 233 OG SER A 15 -1.823 -0.147 -13.879 1.00 0.00 O ATOM 0 H SER A 15 0.204 -0.719 -12.596 1.00 0.00 H new ATOM 0 HA SER A 15 0.359 2.186 -12.884 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.506 1.809 -14.425 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.193 0.709 -14.792 1.00 0.00 H new ATOM 0 HG SER A 15 -2.246 -0.363 -14.736 1.00 0.00 H new ATOM 239 N ASP A 16 -1.931 2.805 -11.775 1.00 0.00 N ATOM 240 CA ASP A 16 -3.000 3.201 -10.879 1.00 0.00 C ATOM 241 C ASP A 16 -4.183 2.219 -10.880 1.00 0.00 C ATOM 242 O ASP A 16 -4.876 2.106 -9.864 1.00 0.00 O ATOM 243 CB ASP A 16 -3.473 4.638 -11.143 1.00 0.00 C ATOM 244 CG ASP A 16 -4.674 4.692 -12.086 1.00 0.00 C ATOM 245 OD1 ASP A 16 -4.499 4.512 -13.309 1.00 0.00 O ATOM 246 OD2 ASP A 16 -5.815 4.866 -11.617 1.00 0.00 O ATOM 0 H ASP A 16 -1.698 3.505 -12.480 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.569 3.171 -9.878 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.736 5.111 -10.197 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.653 5.215 -11.570 1.00 0.00 H new ATOM 251 N GLU A 17 -4.401 1.473 -11.972 1.00 0.00 N ATOM 252 CA GLU A 17 -5.415 0.422 -11.996 1.00 0.00 C ATOM 253 C GLU A 17 -5.014 -0.683 -11.033 1.00 0.00 C ATOM 254 O GLU A 17 -5.848 -1.220 -10.302 1.00 0.00 O ATOM 255 CB GLU A 17 -5.609 -0.197 -13.399 1.00 0.00 C ATOM 256 CG GLU A 17 -7.000 -0.855 -13.468 1.00 0.00 C ATOM 257 CD GLU A 17 -7.123 -2.084 -14.367 1.00 0.00 C ATOM 258 OE1 GLU A 17 -6.726 -3.194 -13.941 1.00 0.00 O ATOM 259 OE2 GLU A 17 -7.806 -1.991 -15.413 1.00 0.00 O ATOM 0 H GLU A 17 -3.887 1.581 -12.846 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.358 0.884 -11.704 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.518 0.572 -14.166 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.832 -0.936 -13.595 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.295 -1.139 -12.458 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.716 -0.107 -13.810 1.00 0.00 H new ATOM 266 N GLU A 18 -3.728 -1.018 -11.028 1.00 0.00 N ATOM 267 CA GLU A 18 -3.195 -2.138 -10.305 1.00 0.00 C ATOM 268 C GLU A 18 -3.118 -1.769 -8.839 1.00 0.00 C ATOM 269 O GLU A 18 -3.351 -2.629 -7.996 1.00 0.00 O ATOM 270 CB GLU A 18 -1.817 -2.507 -10.857 1.00 0.00 C ATOM 271 CG GLU A 18 -1.791 -4.028 -11.059 1.00 0.00 C ATOM 272 CD GLU A 18 -0.403 -4.618 -11.279 1.00 0.00 C ATOM 273 OE1 GLU A 18 0.568 -3.874 -11.556 1.00 0.00 O ATOM 274 OE2 GLU A 18 -0.282 -5.855 -11.130 1.00 0.00 O ATOM 0 H GLU A 18 -3.020 -0.496 -11.544 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.841 -3.009 -10.421 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.632 -1.992 -11.800 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.032 -2.199 -10.166 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.239 -4.504 -10.187 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.417 -4.278 -11.916 1.00 0.00 H new ATOM 281 N ILE A 19 -2.901 -0.477 -8.554 1.00 0.00 N ATOM 282 CA ILE A 19 -2.965 0.059 -7.207 1.00 0.00 C ATOM 283 C ILE A 19 -4.330 -0.342 -6.639 1.00 0.00 C ATOM 284 O ILE A 19 -4.389 -1.104 -5.676 1.00 0.00 O ATOM 285 CB ILE A 19 -2.769 1.599 -7.130 1.00 0.00 C ATOM 286 CG1 ILE A 19 -1.470 2.166 -7.741 1.00 0.00 C ATOM 287 CG2 ILE A 19 -2.926 2.078 -5.676 1.00 0.00 C ATOM 288 CD1 ILE A 19 -0.180 2.031 -6.947 1.00 0.00 C ATOM 0 H ILE A 19 -2.676 0.221 -9.263 1.00 0.00 H new ATOM 0 HA ILE A 19 -2.140 -0.353 -6.626 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.555 1.999 -7.770 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.318 1.683 -8.706 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.630 3.226 -7.937 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.787 3.158 -5.632 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.923 1.825 -5.315 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.179 1.590 -5.050 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.641 2.477 -7.508 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.286 2.543 -5.991 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.031 0.976 -6.772 1.00 0.00 H new ATOM 300 N LYS A 20 -5.423 0.146 -7.246 1.00 0.00 N ATOM 301 CA LYS A 20 -6.779 -0.057 -6.732 1.00 0.00 C ATOM 302 C LYS A 20 -7.223 -1.522 -6.846 1.00 0.00 C ATOM 303 O LYS A 20 -8.072 -1.977 -6.071 1.00 0.00 O ATOM 304 CB LYS A 20 -7.751 0.900 -7.439 1.00 0.00 C ATOM 305 CG LYS A 20 -9.079 1.049 -6.675 1.00 0.00 C ATOM 306 CD LYS A 20 -10.058 1.945 -7.444 1.00 0.00 C ATOM 307 CE LYS A 20 -11.195 2.460 -6.555 1.00 0.00 C ATOM 308 NZ LYS A 20 -10.787 3.656 -5.791 1.00 0.00 N ATOM 0 H LYS A 20 -5.388 0.692 -8.107 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.784 0.175 -5.667 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.283 1.879 -7.544 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.952 0.533 -8.445 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.525 0.067 -6.519 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.890 1.473 -5.689 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.517 2.792 -7.866 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.478 1.387 -8.280 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.061 2.700 -7.172 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -11.503 1.674 -5.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.580 3.978 -5.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.976 3.420 -5.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.517 4.414 -6.450 1.00 0.00 H new ATOM 322 N ARG A 21 -6.671 -2.290 -7.788 1.00 0.00 N ATOM 323 CA ARG A 21 -6.935 -3.718 -7.916 1.00 0.00 C ATOM 324 C ARG A 21 -6.374 -4.421 -6.693 1.00 0.00 C ATOM 325 O ARG A 21 -7.132 -4.989 -5.900 1.00 0.00 O ATOM 326 CB ARG A 21 -6.327 -4.251 -9.224 1.00 0.00 C ATOM 327 CG ARG A 21 -6.520 -5.759 -9.454 1.00 0.00 C ATOM 328 CD ARG A 21 -7.980 -6.224 -9.367 1.00 0.00 C ATOM 329 NE ARG A 21 -8.076 -7.668 -9.622 1.00 0.00 N ATOM 330 CZ ARG A 21 -8.580 -8.622 -8.828 1.00 0.00 C ATOM 331 NH1 ARG A 21 -9.213 -8.344 -7.692 1.00 0.00 N ATOM 332 NH2 ARG A 21 -8.460 -9.885 -9.201 1.00 0.00 N ATOM 0 H ARG A 21 -6.022 -1.931 -8.488 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.007 -3.910 -7.964 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.769 -3.710 -10.061 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.260 -4.030 -9.229 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.125 -6.019 -10.436 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.931 -6.306 -8.718 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -8.382 -5.995 -8.380 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -8.585 -5.680 -10.092 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.712 -7.985 -10.520 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -9.329 -7.375 -7.397 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -9.582 -9.100 -7.116 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.991 -10.116 -10.077 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -8.836 -10.628 -8.613 1.00 0.00 H new ATOM 346 N ALA A 22 -5.055 -4.367 -6.553 1.00 0.00 N ATOM 347 CA ALA A 22 -4.324 -5.041 -5.501 1.00 0.00 C ATOM 348 C ALA A 22 -4.791 -4.581 -4.119 1.00 0.00 C ATOM 349 O ALA A 22 -4.845 -5.420 -3.229 1.00 0.00 O ATOM 350 CB ALA A 22 -2.824 -4.838 -5.697 1.00 0.00 C ATOM 0 H ALA A 22 -4.455 -3.839 -7.186 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.529 -6.110 -5.558 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.281 -5.348 -4.901 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.524 -5.248 -6.662 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.594 -3.773 -5.668 1.00 0.00 H new ATOM 356 N TYR A 23 -5.217 -3.323 -3.946 1.00 0.00 N ATOM 357 CA TYR A 23 -5.747 -2.708 -2.731 1.00 0.00 C ATOM 358 C TYR A 23 -6.741 -3.637 -2.048 1.00 0.00 C ATOM 359 O TYR A 23 -6.484 -4.137 -0.955 1.00 0.00 O ATOM 360 CB TYR A 23 -6.460 -1.412 -3.209 1.00 0.00 C ATOM 361 CG TYR A 23 -6.233 -0.118 -2.484 1.00 0.00 C ATOM 362 CD1 TYR A 23 -5.003 0.550 -2.631 1.00 0.00 C ATOM 363 CD2 TYR A 23 -7.320 0.524 -1.866 1.00 0.00 C ATOM 364 CE1 TYR A 23 -4.830 1.835 -2.099 1.00 0.00 C ATOM 365 CE2 TYR A 23 -7.164 1.817 -1.351 1.00 0.00 C ATOM 366 CZ TYR A 23 -5.913 2.457 -1.446 1.00 0.00 C ATOM 367 OH TYR A 23 -5.781 3.701 -0.914 1.00 0.00 O ATOM 0 H TYR A 23 -5.196 -2.658 -4.719 1.00 0.00 H new ATOM 0 HA TYR A 23 -4.960 -2.501 -2.006 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -6.180 -1.253 -4.250 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -7.532 -1.608 -3.194 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -4.190 0.071 -3.156 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.273 0.022 -1.789 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -3.880 2.341 -2.188 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -7.998 2.320 -0.884 1.00 0.00 H new ATOM 0 HH TYR A 23 -4.834 3.951 -0.898 1.00 0.00 H new ATOM 377 N ARG A 24 -7.881 -3.884 -2.691 1.00 0.00 N ATOM 378 CA ARG A 24 -8.985 -4.594 -2.065 1.00 0.00 C ATOM 379 C ARG A 24 -8.621 -6.056 -1.873 1.00 0.00 C ATOM 380 O ARG A 24 -8.976 -6.629 -0.851 1.00 0.00 O ATOM 381 CB ARG A 24 -10.257 -4.391 -2.895 1.00 0.00 C ATOM 382 CG ARG A 24 -10.796 -2.965 -2.690 1.00 0.00 C ATOM 383 CD ARG A 24 -11.870 -2.569 -3.705 1.00 0.00 C ATOM 384 NE ARG A 24 -13.016 -3.483 -3.650 1.00 0.00 N ATOM 385 CZ ARG A 24 -13.336 -4.463 -4.498 1.00 0.00 C ATOM 386 NH1 ARG A 24 -12.628 -4.687 -5.601 1.00 0.00 N ATOM 387 NH2 ARG A 24 -14.377 -5.227 -4.207 1.00 0.00 N ATOM 0 H ARG A 24 -8.061 -3.598 -3.654 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.183 -4.192 -1.071 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.043 -4.560 -3.950 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -11.013 -5.120 -2.602 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.209 -2.882 -1.685 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.968 -2.259 -2.754 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.204 -1.551 -3.506 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.445 -2.575 -4.709 1.00 0.00 H new ATOM 0 HE ARG A 24 -13.650 -3.353 -2.862 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -11.819 -4.103 -5.815 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.893 -5.442 -6.233 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -14.910 -5.059 -3.354 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.646 -5.984 -4.836 1.00 0.00 H new ATOM 401 N ARG A 25 -7.855 -6.643 -2.795 1.00 0.00 N ATOM 402 CA ARG A 25 -7.327 -7.994 -2.650 1.00 0.00 C ATOM 403 C ARG A 25 -6.475 -8.092 -1.380 1.00 0.00 C ATOM 404 O ARG A 25 -6.624 -9.057 -0.630 1.00 0.00 O ATOM 405 CB ARG A 25 -6.538 -8.329 -3.926 1.00 0.00 C ATOM 406 CG ARG A 25 -5.859 -9.703 -3.971 1.00 0.00 C ATOM 407 CD ARG A 25 -6.778 -10.859 -4.376 1.00 0.00 C ATOM 408 NE ARG A 25 -7.677 -11.287 -3.294 1.00 0.00 N ATOM 409 CZ ARG A 25 -8.576 -12.276 -3.371 1.00 0.00 C ATOM 410 NH1 ARG A 25 -8.713 -13.009 -4.471 1.00 0.00 N ATOM 411 NH2 ARG A 25 -9.344 -12.514 -2.322 1.00 0.00 N ATOM 0 H ARG A 25 -7.584 -6.189 -3.667 1.00 0.00 H new ATOM 0 HA ARG A 25 -8.128 -8.724 -2.536 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -7.217 -8.256 -4.776 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.772 -7.566 -4.064 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.025 -9.658 -4.671 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.439 -9.918 -2.988 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.374 -10.557 -5.237 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -6.169 -11.706 -4.691 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.610 -10.787 -2.408 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.125 -12.824 -5.284 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -9.406 -13.757 -4.503 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -9.244 -11.950 -1.478 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.037 -13.262 -2.356 1.00 0.00 H new ATOM 425 N GLN A 26 -5.597 -7.124 -1.131 1.00 0.00 N ATOM 426 CA GLN A 26 -4.737 -7.063 0.036 1.00 0.00 C ATOM 427 C GLN A 26 -5.576 -6.856 1.296 1.00 0.00 C ATOM 428 O GLN A 26 -5.469 -7.665 2.215 1.00 0.00 O ATOM 429 CB GLN A 26 -3.679 -5.956 -0.189 1.00 0.00 C ATOM 430 CG GLN A 26 -2.256 -6.539 -0.156 1.00 0.00 C ATOM 431 CD GLN A 26 -1.892 -7.444 -1.341 1.00 0.00 C ATOM 432 OE1 GLN A 26 -1.081 -8.359 -1.199 1.00 0.00 O ATOM 433 NE2 GLN A 26 -2.473 -7.257 -2.513 1.00 0.00 N ATOM 0 H GLN A 26 -5.464 -6.334 -1.763 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.204 -8.003 0.181 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -3.855 -5.470 -1.149 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.780 -5.190 0.580 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -1.544 -5.715 -0.117 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.135 -7.108 0.766 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -3.145 -6.500 -2.634 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -2.249 -7.870 -3.297 1.00 0.00 H new ATOM 442 N ALA A 27 -6.455 -5.849 1.318 1.00 0.00 N ATOM 443 CA ALA A 27 -7.335 -5.565 2.447 1.00 0.00 C ATOM 444 C ALA A 27 -8.109 -6.812 2.859 1.00 0.00 C ATOM 445 O ALA A 27 -8.084 -7.219 4.020 1.00 0.00 O ATOM 446 CB ALA A 27 -8.282 -4.410 2.117 1.00 0.00 C ATOM 0 H ALA A 27 -6.574 -5.201 0.539 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.719 -5.262 3.293 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.929 -4.215 2.972 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.701 -3.516 1.890 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.892 -4.675 1.253 1.00 0.00 H new ATOM 452 N LEU A 28 -8.769 -7.442 1.890 1.00 0.00 N ATOM 453 CA LEU A 28 -9.567 -8.645 2.055 1.00 0.00 C ATOM 454 C LEU A 28 -8.753 -9.804 2.643 1.00 0.00 C ATOM 455 O LEU A 28 -9.324 -10.650 3.332 1.00 0.00 O ATOM 456 CB LEU A 28 -10.169 -8.979 0.681 1.00 0.00 C ATOM 457 CG LEU A 28 -11.106 -10.193 0.618 1.00 0.00 C ATOM 458 CD1 LEU A 28 -12.326 -10.005 1.524 1.00 0.00 C ATOM 459 CD2 LEU A 28 -11.577 -10.356 -0.832 1.00 0.00 C ATOM 0 H LEU A 28 -8.759 -7.109 0.926 1.00 0.00 H new ATOM 0 HA LEU A 28 -10.365 -8.477 2.778 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.718 -8.106 0.328 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.350 -9.144 -0.019 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.566 -11.076 0.960 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -12.969 -10.883 1.456 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -11.997 -9.876 2.555 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -12.882 -9.123 1.207 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.246 -11.214 -0.903 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.106 -9.456 -1.146 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.714 -10.514 -1.479 1.00 0.00 H new ATOM 471 N ARG A 29 -7.430 -9.852 2.439 1.00 0.00 N ATOM 472 CA ARG A 29 -6.588 -10.910 2.972 1.00 0.00 C ATOM 473 C ARG A 29 -6.460 -10.817 4.493 1.00 0.00 C ATOM 474 O ARG A 29 -6.448 -11.858 5.146 1.00 0.00 O ATOM 475 CB ARG A 29 -5.224 -10.906 2.252 1.00 0.00 C ATOM 476 CG ARG A 29 -4.496 -12.223 2.549 1.00 0.00 C ATOM 477 CD ARG A 29 -3.367 -12.562 1.569 1.00 0.00 C ATOM 478 NE ARG A 29 -2.212 -11.663 1.700 1.00 0.00 N ATOM 479 CZ ARG A 29 -1.738 -10.818 0.781 1.00 0.00 C ATOM 480 NH1 ARG A 29 -2.254 -10.753 -0.444 1.00 0.00 N ATOM 481 NH2 ARG A 29 -0.734 -10.012 1.096 1.00 0.00 N ATOM 0 H ARG A 29 -6.921 -9.153 1.898 1.00 0.00 H new ATOM 0 HA ARG A 29 -7.061 -11.872 2.776 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.366 -10.789 1.178 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.624 -10.060 2.588 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.083 -12.176 3.557 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.223 -13.035 2.540 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.043 -13.589 1.736 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.749 -12.510 0.549 1.00 0.00 H new ATOM 0 HE ARG A 29 -1.717 -11.687 2.592 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.033 -11.359 -0.702 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.871 -10.097 -1.125 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -0.331 -10.041 2.033 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.364 -9.363 0.402 1.00 0.00 H new ATOM 495 N TYR A 30 -6.412 -9.622 5.081 1.00 0.00 N ATOM 496 CA TYR A 30 -6.160 -9.456 6.520 1.00 0.00 C ATOM 497 C TYR A 30 -7.359 -8.882 7.263 1.00 0.00 C ATOM 498 O TYR A 30 -7.302 -8.741 8.481 1.00 0.00 O ATOM 499 CB TYR A 30 -4.912 -8.596 6.739 1.00 0.00 C ATOM 500 CG TYR A 30 -3.707 -9.161 6.029 1.00 0.00 C ATOM 501 CD1 TYR A 30 -2.948 -10.199 6.602 1.00 0.00 C ATOM 502 CD2 TYR A 30 -3.399 -8.690 4.744 1.00 0.00 C ATOM 503 CE1 TYR A 30 -1.849 -10.728 5.903 1.00 0.00 C ATOM 504 CE2 TYR A 30 -2.299 -9.203 4.048 1.00 0.00 C ATOM 505 CZ TYR A 30 -1.500 -10.198 4.642 1.00 0.00 C ATOM 506 OH TYR A 30 -0.374 -10.606 4.005 1.00 0.00 O ATOM 0 H TYR A 30 -6.545 -8.743 4.580 1.00 0.00 H new ATOM 0 HA TYR A 30 -5.987 -10.448 6.938 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -5.102 -7.584 6.382 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -4.704 -8.524 7.806 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -3.209 -10.588 7.575 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -4.014 -7.927 4.290 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.274 -11.537 6.329 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.064 -8.837 3.059 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.176 -11.533 4.253 1.00 0.00 H new ATOM 516 N HIS A 31 -8.433 -8.558 6.538 1.00 0.00 N ATOM 517 CA HIS A 31 -9.579 -7.786 6.984 1.00 0.00 C ATOM 518 C HIS A 31 -10.041 -8.237 8.373 1.00 0.00 C ATOM 519 O HIS A 31 -10.626 -9.315 8.484 1.00 0.00 O ATOM 520 CB HIS A 31 -10.697 -7.896 5.933 1.00 0.00 C ATOM 521 CG HIS A 31 -11.534 -6.656 5.754 1.00 0.00 C ATOM 522 ND1 HIS A 31 -11.904 -5.727 6.709 1.00 0.00 N ATOM 523 CD2 HIS A 31 -12.116 -6.290 4.573 1.00 0.00 C ATOM 524 CE1 HIS A 31 -12.740 -4.854 6.119 1.00 0.00 C ATOM 525 NE2 HIS A 31 -12.906 -5.168 4.822 1.00 0.00 N ATOM 0 H HIS A 31 -8.524 -8.849 5.565 1.00 0.00 H new ATOM 0 HA HIS A 31 -9.300 -6.737 7.082 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -10.248 -8.153 4.974 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -11.353 -8.721 6.209 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -11.987 -6.781 3.620 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -13.211 -4.019 6.616 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -13.497 -4.679 4.149 1.00 0.00 H new ATOM 533 N PRO A 32 -9.815 -7.449 9.440 1.00 0.00 N ATOM 534 CA PRO A 32 -10.119 -7.889 10.794 1.00 0.00 C ATOM 535 C PRO A 32 -11.630 -7.994 11.038 1.00 0.00 C ATOM 536 O PRO A 32 -12.032 -8.522 12.063 1.00 0.00 O ATOM 537 CB PRO A 32 -9.414 -6.894 11.718 1.00 0.00 C ATOM 538 CG PRO A 32 -9.350 -5.617 10.882 1.00 0.00 C ATOM 539 CD PRO A 32 -9.162 -6.150 9.465 1.00 0.00 C ATOM 0 HA PRO A 32 -9.759 -8.900 10.985 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -9.970 -6.741 12.643 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.419 -7.241 11.998 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -10.262 -5.027 10.975 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.523 -4.976 11.186 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -9.605 -5.476 8.732 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -8.104 -6.239 9.218 1.00 0.00 H new ATOM 547 N ASP A 33 -12.459 -7.589 10.072 1.00 0.00 N ATOM 548 CA ASP A 33 -13.910 -7.748 10.089 1.00 0.00 C ATOM 549 C ASP A 33 -14.317 -9.137 9.599 1.00 0.00 C ATOM 550 O ASP A 33 -15.180 -9.783 10.192 1.00 0.00 O ATOM 551 CB ASP A 33 -14.519 -6.706 9.142 1.00 0.00 C ATOM 552 CG ASP A 33 -15.995 -6.976 8.846 1.00 0.00 C ATOM 553 OD1 ASP A 33 -16.854 -6.608 9.677 1.00 0.00 O ATOM 554 OD2 ASP A 33 -16.297 -7.523 7.761 1.00 0.00 O ATOM 0 H ASP A 33 -12.123 -7.125 9.228 1.00 0.00 H new ATOM 0 HA ASP A 33 -14.266 -7.618 11.111 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.416 -5.715 9.583 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -13.959 -6.699 8.207 1.00 0.00 H new ATOM 559 N LYS A 34 -13.695 -9.618 8.517 1.00 0.00 N ATOM 560 CA LYS A 34 -14.160 -10.821 7.831 1.00 0.00 C ATOM 561 C LYS A 34 -13.238 -11.991 8.163 1.00 0.00 C ATOM 562 O LYS A 34 -13.733 -13.105 8.332 1.00 0.00 O ATOM 563 CB LYS A 34 -14.280 -10.552 6.318 1.00 0.00 C ATOM 564 CG LYS A 34 -14.444 -11.846 5.501 1.00 0.00 C ATOM 565 CD LYS A 34 -14.750 -11.561 4.025 1.00 0.00 C ATOM 566 CE LYS A 34 -15.318 -12.802 3.324 1.00 0.00 C ATOM 567 NZ LYS A 34 -14.294 -13.761 2.866 1.00 0.00 N ATOM 0 H LYS A 34 -12.868 -9.190 8.100 1.00 0.00 H new ATOM 0 HA LYS A 34 -15.156 -11.094 8.178 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -15.134 -9.900 6.135 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.393 -10.020 5.975 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -13.532 -12.438 5.574 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -15.248 -12.445 5.929 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -15.464 -10.740 3.951 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.840 -11.239 3.518 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -15.997 -13.312 4.007 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -15.909 -12.482 2.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -14.757 -14.569 2.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.658 -13.293 2.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.744 -14.097 3.682 1.00 0.00 H new ATOM 581 N ASN A 35 -11.928 -11.774 8.280 1.00 0.00 N ATOM 582 CA ASN A 35 -10.976 -12.817 8.653 1.00 0.00 C ATOM 583 C ASN A 35 -11.094 -13.062 10.151 1.00 0.00 C ATOM 584 O ASN A 35 -11.114 -14.200 10.609 1.00 0.00 O ATOM 585 CB ASN A 35 -9.526 -12.398 8.313 1.00 0.00 C ATOM 586 CG ASN A 35 -8.622 -13.597 8.061 1.00 0.00 C ATOM 587 OD1 ASN A 35 -8.895 -14.703 8.515 1.00 0.00 O ATOM 588 ND2 ASN A 35 -7.526 -13.427 7.345 1.00 0.00 N ATOM 0 H ASN A 35 -11.496 -10.864 8.118 1.00 0.00 H new ATOM 0 HA ASN A 35 -11.205 -13.724 8.093 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -9.532 -11.759 7.430 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.120 -11.805 9.133 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.905 -14.216 7.169 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -7.301 -12.506 6.968 1.00 0.00 H new ATOM 595 N LYS A 36 -11.144 -11.958 10.911 1.00 0.00 N ATOM 596 CA LYS A 36 -11.037 -11.892 12.364 1.00 0.00 C ATOM 597 C LYS A 36 -9.772 -12.583 12.892 1.00 0.00 C ATOM 598 O LYS A 36 -9.685 -12.899 14.077 1.00 0.00 O ATOM 599 CB LYS A 36 -12.356 -12.310 13.034 1.00 0.00 C ATOM 600 CG LYS A 36 -13.425 -11.230 12.815 1.00 0.00 C ATOM 601 CD LYS A 36 -14.837 -11.547 13.310 1.00 0.00 C ATOM 602 CE LYS A 36 -15.059 -11.283 14.802 1.00 0.00 C ATOM 603 NZ LYS A 36 -14.736 -12.440 15.656 1.00 0.00 N ATOM 0 H LYS A 36 -11.268 -11.035 10.496 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.892 -10.852 12.657 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -12.697 -13.259 12.622 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.198 -12.465 14.101 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -13.090 -10.316 13.306 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -13.479 -11.017 11.747 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -15.551 -10.954 12.738 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -15.055 -12.595 13.103 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -14.448 -10.434 15.108 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -16.100 -11.002 14.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -14.413 -12.105 16.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -15.584 -13.030 15.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -13.983 -13.002 15.209 1.00 0.00 H new ATOM 617 N GLU A 37 -8.768 -12.789 12.036 1.00 0.00 N ATOM 618 CA GLU A 37 -7.503 -13.418 12.365 1.00 0.00 C ATOM 619 C GLU A 37 -6.796 -12.619 13.482 1.00 0.00 C ATOM 620 O GLU A 37 -6.785 -11.384 13.418 1.00 0.00 O ATOM 621 CB GLU A 37 -6.681 -13.526 11.072 1.00 0.00 C ATOM 622 CG GLU A 37 -5.285 -14.108 11.303 1.00 0.00 C ATOM 623 CD GLU A 37 -4.482 -14.303 10.018 1.00 0.00 C ATOM 624 OE1 GLU A 37 -4.421 -13.389 9.166 1.00 0.00 O ATOM 625 OE2 GLU A 37 -3.847 -15.376 9.878 1.00 0.00 O ATOM 0 H GLU A 37 -8.825 -12.508 11.057 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.641 -14.425 12.760 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.217 -14.151 10.358 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -6.588 -12.537 10.623 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.731 -13.448 11.971 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.380 -15.068 11.811 1.00 0.00 H new ATOM 632 N PRO A 38 -6.231 -13.261 14.524 1.00 0.00 N ATOM 633 CA PRO A 38 -5.563 -12.554 15.615 1.00 0.00 C ATOM 634 C PRO A 38 -4.332 -11.820 15.082 1.00 0.00 C ATOM 635 O PRO A 38 -3.581 -12.363 14.269 1.00 0.00 O ATOM 636 CB PRO A 38 -5.187 -13.625 16.641 1.00 0.00 C ATOM 637 CG PRO A 38 -5.046 -14.881 15.783 1.00 0.00 C ATOM 638 CD PRO A 38 -6.158 -14.696 14.754 1.00 0.00 C ATOM 0 HA PRO A 38 -6.201 -11.797 16.071 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.259 -13.382 17.158 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.956 -13.741 17.405 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.064 -14.945 15.314 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.180 -15.791 16.368 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.934 -15.232 13.832 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.107 -15.084 15.125 1.00 0.00 H new ATOM 646 N GLY A 39 -4.138 -10.573 15.510 1.00 0.00 N ATOM 647 CA GLY A 39 -3.014 -9.737 15.111 1.00 0.00 C ATOM 648 C GLY A 39 -3.067 -9.272 13.656 1.00 0.00 C ATOM 649 O GLY A 39 -2.295 -8.388 13.285 1.00 0.00 O ATOM 0 H GLY A 39 -4.774 -10.109 16.158 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.978 -8.862 15.760 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.089 -10.291 15.271 1.00 0.00 H new ATOM 653 N ALA A 40 -3.970 -9.795 12.819 1.00 0.00 N ATOM 654 CA ALA A 40 -4.103 -9.355 11.435 1.00 0.00 C ATOM 655 C ALA A 40 -4.537 -7.895 11.356 1.00 0.00 C ATOM 656 O ALA A 40 -4.281 -7.274 10.335 1.00 0.00 O ATOM 657 CB ALA A 40 -5.092 -10.249 10.694 1.00 0.00 C ATOM 0 H ALA A 40 -4.624 -10.531 13.085 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.126 -9.436 10.958 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.184 -9.912 9.662 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.734 -11.278 10.709 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.066 -10.196 11.181 1.00 0.00 H new ATOM 663 N GLU A 41 -5.123 -7.313 12.409 1.00 0.00 N ATOM 664 CA GLU A 41 -5.416 -5.886 12.415 1.00 0.00 C ATOM 665 C GLU A 41 -4.134 -5.048 12.376 1.00 0.00 C ATOM 666 O GLU A 41 -4.117 -4.012 11.718 1.00 0.00 O ATOM 667 CB GLU A 41 -6.310 -5.494 13.599 1.00 0.00 C ATOM 668 CG GLU A 41 -6.642 -3.997 13.506 1.00 0.00 C ATOM 669 CD GLU A 41 -7.919 -3.618 14.242 1.00 0.00 C ATOM 670 OE1 GLU A 41 -9.005 -3.661 13.623 1.00 0.00 O ATOM 671 OE2 GLU A 41 -7.840 -3.175 15.410 1.00 0.00 O ATOM 0 H GLU A 41 -5.399 -7.807 13.257 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.975 -5.669 11.505 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -7.227 -6.084 13.589 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.803 -5.709 14.540 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -5.811 -3.421 13.914 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -6.739 -3.718 12.457 1.00 0.00 H new ATOM 678 N GLU A 42 -3.047 -5.494 13.012 1.00 0.00 N ATOM 679 CA GLU A 42 -1.772 -4.785 12.923 1.00 0.00 C ATOM 680 C GLU A 42 -1.307 -4.798 11.469 1.00 0.00 C ATOM 681 O GLU A 42 -0.956 -3.770 10.898 1.00 0.00 O ATOM 682 CB GLU A 42 -0.729 -5.495 13.792 1.00 0.00 C ATOM 683 CG GLU A 42 0.669 -4.847 13.739 1.00 0.00 C ATOM 684 CD GLU A 42 1.747 -5.929 13.767 1.00 0.00 C ATOM 685 OE1 GLU A 42 1.670 -6.833 14.626 1.00 0.00 O ATOM 686 OE2 GLU A 42 2.655 -5.929 12.904 1.00 0.00 O ATOM 0 H GLU A 42 -3.026 -6.335 13.589 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.893 -3.759 13.271 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.076 -5.504 14.825 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.650 -6.534 13.473 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.767 -4.248 12.834 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.798 -4.171 14.584 1.00 0.00 H new ATOM 693 N LYS A 43 -1.380 -5.971 10.855 1.00 0.00 N ATOM 694 CA LYS A 43 -0.995 -6.220 9.488 1.00 0.00 C ATOM 695 C LYS A 43 -1.873 -5.405 8.540 1.00 0.00 C ATOM 696 O LYS A 43 -1.372 -4.881 7.545 1.00 0.00 O ATOM 697 CB LYS A 43 -1.064 -7.744 9.288 1.00 0.00 C ATOM 698 CG LYS A 43 0.360 -8.320 9.290 1.00 0.00 C ATOM 699 CD LYS A 43 0.363 -9.850 9.398 1.00 0.00 C ATOM 700 CE LYS A 43 0.655 -10.525 8.058 1.00 0.00 C ATOM 701 NZ LYS A 43 2.099 -10.542 7.766 1.00 0.00 N ATOM 0 H LYS A 43 -1.726 -6.808 11.325 1.00 0.00 H new ATOM 0 HA LYS A 43 0.020 -5.894 9.262 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.655 -8.200 10.082 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.562 -7.977 8.347 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.873 -8.020 8.376 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.921 -7.897 10.124 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.111 -10.159 10.129 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -0.604 -10.188 9.769 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.274 -11.546 8.073 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.128 -9.999 7.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.263 -11.007 6.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.457 -9.566 7.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.598 -11.065 8.514 1.00 0.00 H new ATOM 715 N PHE A 44 -3.148 -5.233 8.873 1.00 0.00 N ATOM 716 CA PHE A 44 -4.120 -4.477 8.109 1.00 0.00 C ATOM 717 C PHE A 44 -3.809 -2.981 8.200 1.00 0.00 C ATOM 718 O PHE A 44 -3.862 -2.301 7.178 1.00 0.00 O ATOM 719 CB PHE A 44 -5.529 -4.805 8.623 1.00 0.00 C ATOM 720 CG PHE A 44 -6.676 -4.212 7.830 1.00 0.00 C ATOM 721 CD1 PHE A 44 -7.112 -2.901 8.077 1.00 0.00 C ATOM 722 CD2 PHE A 44 -7.332 -4.989 6.855 1.00 0.00 C ATOM 723 CE1 PHE A 44 -8.193 -2.367 7.355 1.00 0.00 C ATOM 724 CE2 PHE A 44 -8.405 -4.451 6.122 1.00 0.00 C ATOM 725 CZ PHE A 44 -8.843 -3.142 6.380 1.00 0.00 C ATOM 0 H PHE A 44 -3.544 -5.637 9.722 1.00 0.00 H new ATOM 0 HA PHE A 44 -4.070 -4.754 7.056 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -5.646 -5.889 8.640 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.608 -4.460 9.654 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -6.615 -2.300 8.825 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.009 -6.003 6.669 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -8.525 -1.358 7.550 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -8.892 -5.044 5.362 1.00 0.00 H new ATOM 0 HZ PHE A 44 -9.677 -2.732 5.830 1.00 0.00 H new ATOM 735 N LYS A 45 -3.493 -2.444 9.388 1.00 0.00 N ATOM 736 CA LYS A 45 -3.091 -1.039 9.518 1.00 0.00 C ATOM 737 C LYS A 45 -1.695 -0.770 8.933 1.00 0.00 C ATOM 738 O LYS A 45 -1.392 0.376 8.588 1.00 0.00 O ATOM 739 CB LYS A 45 -3.254 -0.504 10.953 1.00 0.00 C ATOM 740 CG LYS A 45 -2.238 -1.068 11.948 1.00 0.00 C ATOM 741 CD LYS A 45 -2.378 -0.461 13.348 1.00 0.00 C ATOM 742 CE LYS A 45 -1.361 -1.066 14.328 1.00 0.00 C ATOM 743 NZ LYS A 45 0.038 -0.712 14.000 1.00 0.00 N ATOM 0 H LYS A 45 -3.508 -2.960 10.268 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.788 -0.465 8.908 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.166 0.582 10.937 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.259 -0.737 11.305 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.361 -2.149 12.012 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.230 -0.883 11.576 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.235 0.618 13.294 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.388 -0.630 13.720 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.590 -0.724 15.337 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.465 -2.151 14.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.669 -1.061 14.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.303 -1.147 13.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.127 0.322 13.927 1.00 0.00 H new ATOM 757 N GLU A 46 -0.870 -1.799 8.735 1.00 0.00 N ATOM 758 CA GLU A 46 0.396 -1.710 8.045 1.00 0.00 C ATOM 759 C GLU A 46 0.127 -1.547 6.556 1.00 0.00 C ATOM 760 O GLU A 46 0.579 -0.574 5.953 1.00 0.00 O ATOM 761 CB GLU A 46 1.170 -3.005 8.335 1.00 0.00 C ATOM 762 CG GLU A 46 2.671 -2.781 8.388 1.00 0.00 C ATOM 763 CD GLU A 46 3.400 -3.257 7.130 1.00 0.00 C ATOM 764 OE1 GLU A 46 3.314 -4.471 6.806 1.00 0.00 O ATOM 765 OE2 GLU A 46 4.110 -2.431 6.518 1.00 0.00 O ATOM 0 H GLU A 46 -1.080 -2.741 9.064 1.00 0.00 H new ATOM 0 HA GLU A 46 0.985 -0.856 8.379 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.834 -3.422 9.284 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.942 -3.742 7.565 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.868 -1.719 8.533 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.078 -3.302 9.254 1.00 0.00 H new ATOM 772 N ILE A 47 -0.723 -2.417 5.996 1.00 0.00 N ATOM 773 CA ILE A 47 -1.259 -2.220 4.657 1.00 0.00 C ATOM 774 C ILE A 47 -1.911 -0.848 4.574 1.00 0.00 C ATOM 775 O ILE A 47 -1.677 -0.190 3.574 1.00 0.00 O ATOM 776 CB ILE A 47 -2.214 -3.355 4.228 1.00 0.00 C ATOM 777 CG1 ILE A 47 -1.413 -4.665 4.104 1.00 0.00 C ATOM 778 CG2 ILE A 47 -2.924 -3.028 2.894 1.00 0.00 C ATOM 779 CD1 ILE A 47 -2.148 -5.815 3.434 1.00 0.00 C ATOM 0 H ILE A 47 -1.051 -3.265 6.457 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.435 -2.258 3.944 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.989 -3.465 4.987 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.501 -4.462 3.543 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -1.109 -4.982 5.102 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.588 -3.849 2.624 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.506 -2.113 3.006 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.180 -2.890 2.110 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.498 -6.689 3.396 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.046 -6.054 4.004 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.428 -5.527 2.421 1.00 0.00 H new ATOM 791 N ALA A 48 -2.656 -0.373 5.577 1.00 0.00 N ATOM 792 CA ALA A 48 -3.387 0.888 5.497 1.00 0.00 C ATOM 793 C ALA A 48 -2.441 2.077 5.311 1.00 0.00 C ATOM 794 O ALA A 48 -2.840 3.097 4.748 1.00 0.00 O ATOM 795 CB ALA A 48 -4.280 1.098 6.717 1.00 0.00 C ATOM 0 H ALA A 48 -2.767 -0.856 6.468 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.028 0.827 4.617 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -4.808 2.047 6.622 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -5.003 0.285 6.783 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.667 1.112 7.618 1.00 0.00 H new ATOM 801 N GLU A 49 -1.191 1.964 5.761 1.00 0.00 N ATOM 802 CA GLU A 49 -0.173 2.974 5.494 1.00 0.00 C ATOM 803 C GLU A 49 0.206 2.954 4.014 1.00 0.00 C ATOM 804 O GLU A 49 0.225 3.996 3.367 1.00 0.00 O ATOM 805 CB GLU A 49 1.037 2.735 6.399 1.00 0.00 C ATOM 806 CG GLU A 49 1.911 3.991 6.517 1.00 0.00 C ATOM 807 CD GLU A 49 2.975 3.805 7.596 1.00 0.00 C ATOM 808 OE1 GLU A 49 2.600 3.504 8.758 1.00 0.00 O ATOM 809 OE2 GLU A 49 4.182 3.916 7.288 1.00 0.00 O ATOM 0 H GLU A 49 -0.860 1.175 6.316 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.566 3.966 5.717 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.697 2.433 7.390 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.632 1.913 6.002 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.389 4.200 5.560 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.288 4.853 6.757 1.00 0.00 H new ATOM 816 N ALA A 50 0.378 1.765 3.433 1.00 0.00 N ATOM 817 CA ALA A 50 0.731 1.623 2.027 1.00 0.00 C ATOM 818 C ALA A 50 -0.471 1.956 1.138 1.00 0.00 C ATOM 819 O ALA A 50 -0.290 2.459 0.040 1.00 0.00 O ATOM 820 CB ALA A 50 1.148 0.177 1.766 1.00 0.00 C ATOM 0 H ALA A 50 0.276 0.878 3.926 1.00 0.00 H new ATOM 0 HA ALA A 50 1.547 2.307 1.795 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.415 0.059 0.716 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.007 -0.072 2.389 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.320 -0.490 2.007 1.00 0.00 H new ATOM 826 N TYR A 51 -1.687 1.700 1.620 1.00 0.00 N ATOM 827 CA TYR A 51 -2.991 1.987 1.031 1.00 0.00 C ATOM 828 C TYR A 51 -3.043 3.496 0.804 1.00 0.00 C ATOM 829 O TYR A 51 -3.189 3.961 -0.329 1.00 0.00 O ATOM 830 CB TYR A 51 -4.061 1.512 2.044 1.00 0.00 C ATOM 831 CG TYR A 51 -5.356 0.897 1.576 1.00 0.00 C ATOM 832 CD1 TYR A 51 -5.334 -0.437 1.131 1.00 0.00 C ATOM 833 CD2 TYR A 51 -6.587 1.536 1.821 1.00 0.00 C ATOM 834 CE1 TYR A 51 -6.528 -1.136 0.917 1.00 0.00 C ATOM 835 CE2 TYR A 51 -7.791 0.834 1.630 1.00 0.00 C ATOM 836 CZ TYR A 51 -7.760 -0.509 1.184 1.00 0.00 C ATOM 837 OH TYR A 51 -8.914 -1.217 1.061 1.00 0.00 O ATOM 0 H TYR A 51 -1.791 1.240 2.524 1.00 0.00 H new ATOM 0 HA TYR A 51 -3.167 1.481 0.082 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -3.580 0.785 2.698 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -4.321 2.372 2.661 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.388 -0.926 0.953 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.607 2.563 2.155 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -6.504 -2.151 0.549 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -8.737 1.319 1.823 1.00 0.00 H new ATOM 0 HH TYR A 51 -9.676 -0.641 1.281 1.00 0.00 H new ATOM 847 N ASP A 52 -2.873 4.252 1.892 1.00 0.00 N ATOM 848 CA ASP A 52 -2.852 5.706 1.906 1.00 0.00 C ATOM 849 C ASP A 52 -1.805 6.221 0.931 1.00 0.00 C ATOM 850 O ASP A 52 -2.141 6.960 0.008 1.00 0.00 O ATOM 851 CB ASP A 52 -2.583 6.203 3.326 1.00 0.00 C ATOM 852 CG ASP A 52 -2.699 7.715 3.413 1.00 0.00 C ATOM 853 OD1 ASP A 52 -3.853 8.194 3.529 1.00 0.00 O ATOM 854 OD2 ASP A 52 -1.666 8.420 3.414 1.00 0.00 O ATOM 0 H ASP A 52 -2.742 3.847 2.819 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.822 6.089 1.589 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.290 5.742 4.015 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.586 5.894 3.639 1.00 0.00 H new ATOM 859 N VAL A 53 -0.575 5.720 1.037 1.00 0.00 N ATOM 860 CA VAL A 53 0.558 6.208 0.267 1.00 0.00 C ATOM 861 C VAL A 53 0.326 5.976 -1.213 1.00 0.00 C ATOM 862 O VAL A 53 0.513 6.882 -2.020 1.00 0.00 O ATOM 863 CB VAL A 53 1.822 5.443 0.696 1.00 0.00 C ATOM 864 CG1 VAL A 53 2.977 5.631 -0.298 1.00 0.00 C ATOM 865 CG2 VAL A 53 2.302 5.906 2.062 1.00 0.00 C ATOM 0 H VAL A 53 -0.339 4.955 1.669 1.00 0.00 H new ATOM 0 HA VAL A 53 0.678 7.276 0.449 1.00 0.00 H new ATOM 0 HB VAL A 53 1.541 4.390 0.727 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.848 5.073 0.046 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.676 5.265 -1.279 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.229 6.689 -0.367 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.197 5.349 2.341 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.534 6.970 2.025 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.520 5.731 2.801 1.00 0.00 H new ATOM 875 N LEU A 54 -0.003 4.746 -1.597 1.00 0.00 N ATOM 876 CA LEU A 54 -0.105 4.401 -2.996 1.00 0.00 C ATOM 877 C LEU A 54 -1.250 5.173 -3.658 1.00 0.00 C ATOM 878 O LEU A 54 -1.175 5.375 -4.870 1.00 0.00 O ATOM 879 CB LEU A 54 -0.194 2.889 -3.171 1.00 0.00 C ATOM 880 CG LEU A 54 1.133 2.196 -3.537 1.00 0.00 C ATOM 881 CD1 LEU A 54 2.264 2.407 -2.526 1.00 0.00 C ATOM 882 CD2 LEU A 54 0.886 0.697 -3.681 1.00 0.00 C ATOM 0 H LEU A 54 -0.202 3.979 -0.955 1.00 0.00 H new ATOM 0 HA LEU A 54 0.802 4.708 -3.516 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.571 2.453 -2.246 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.927 2.671 -3.948 1.00 0.00 H new ATOM 0 HG LEU A 54 1.463 2.654 -4.469 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.158 1.884 -2.866 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.479 3.472 -2.437 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.962 2.016 -1.555 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.820 0.198 -3.940 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.510 0.298 -2.739 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.151 0.523 -4.467 1.00 0.00 H new ATOM 894 N SER A 55 -2.246 5.645 -2.896 1.00 0.00 N ATOM 895 CA SER A 55 -3.309 6.493 -3.416 1.00 0.00 C ATOM 896 C SER A 55 -2.977 7.988 -3.402 1.00 0.00 C ATOM 897 O SER A 55 -3.515 8.731 -4.226 1.00 0.00 O ATOM 898 CB SER A 55 -4.596 6.225 -2.636 1.00 0.00 C ATOM 899 OG SER A 55 -4.538 6.563 -1.255 1.00 0.00 O ATOM 0 H SER A 55 -2.331 5.445 -1.899 1.00 0.00 H new ATOM 0 HA SER A 55 -3.435 6.231 -4.467 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.408 6.785 -3.099 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.846 5.168 -2.727 1.00 0.00 H new ATOM 0 HG SER A 55 -3.603 6.679 -0.986 1.00 0.00 H new ATOM 905 N ASP A 56 -2.148 8.457 -2.466 1.00 0.00 N ATOM 906 CA ASP A 56 -1.877 9.877 -2.279 1.00 0.00 C ATOM 907 C ASP A 56 -0.522 10.238 -2.887 1.00 0.00 C ATOM 908 O ASP A 56 0.511 9.931 -2.286 1.00 0.00 O ATOM 909 CB ASP A 56 -1.911 10.306 -0.810 1.00 0.00 C ATOM 910 CG ASP A 56 -1.356 11.732 -0.717 1.00 0.00 C ATOM 911 OD1 ASP A 56 -1.708 12.570 -1.581 1.00 0.00 O ATOM 912 OD2 ASP A 56 -0.465 11.970 0.125 1.00 0.00 O ATOM 0 H ASP A 56 -1.645 7.855 -1.814 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.675 10.416 -2.789 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.930 10.269 -0.426 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.316 9.626 -0.201 1.00 0.00 H new ATOM 917 N PRO A 57 -0.477 10.931 -4.037 1.00 0.00 N ATOM 918 CA PRO A 57 0.779 11.306 -4.656 1.00 0.00 C ATOM 919 C PRO A 57 1.624 12.269 -3.817 1.00 0.00 C ATOM 920 O PRO A 57 2.762 12.486 -4.210 1.00 0.00 O ATOM 921 CB PRO A 57 0.411 11.913 -6.012 1.00 0.00 C ATOM 922 CG PRO A 57 -1.001 12.445 -5.795 1.00 0.00 C ATOM 923 CD PRO A 57 -1.595 11.431 -4.823 1.00 0.00 C ATOM 0 HA PRO A 57 1.415 10.427 -4.758 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.100 12.709 -6.295 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.441 11.167 -6.806 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -0.995 13.451 -5.377 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -1.564 12.491 -6.727 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -2.345 11.896 -4.183 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -2.090 10.621 -5.358 1.00 0.00 H new ATOM 931 N ARG A 58 1.144 12.849 -2.705 1.00 0.00 N ATOM 932 CA ARG A 58 1.981 13.693 -1.842 1.00 0.00 C ATOM 933 C ARG A 58 2.843 12.828 -0.933 1.00 0.00 C ATOM 934 O ARG A 58 4.051 13.056 -0.861 1.00 0.00 O ATOM 935 CB ARG A 58 1.128 14.694 -1.044 1.00 0.00 C ATOM 936 CG ARG A 58 0.831 15.974 -1.834 1.00 0.00 C ATOM 937 CD ARG A 58 0.264 15.721 -3.237 1.00 0.00 C ATOM 938 NE ARG A 58 -0.226 16.965 -3.834 1.00 0.00 N ATOM 939 CZ ARG A 58 0.488 17.919 -4.437 1.00 0.00 C ATOM 940 NH1 ARG A 58 1.789 17.781 -4.691 1.00 0.00 N ATOM 941 NH2 ARG A 58 -0.135 19.043 -4.757 1.00 0.00 N ATOM 0 H ARG A 58 0.181 12.748 -2.384 1.00 0.00 H new ATOM 0 HA ARG A 58 2.648 14.281 -2.473 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.188 14.220 -0.760 1.00 0.00 H new ATOM 0 HB3 ARG A 58 1.646 14.953 -0.121 1.00 0.00 H new ATOM 0 HG2 ARG A 58 0.122 16.581 -1.270 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.749 16.556 -1.923 1.00 0.00 H new ATOM 0 HD2 ARG A 58 1.036 15.287 -3.873 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -0.548 14.996 -3.180 1.00 0.00 H new ATOM 0 HE ARG A 58 -1.233 17.122 -3.783 1.00 0.00 H new ATOM 0 HH11 ARG A 58 2.273 16.924 -4.423 1.00 0.00 H new ATOM 0 HH12 ARG A 58 2.301 18.532 -5.154 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -1.126 19.156 -4.542 1.00 0.00 H new ATOM 0 HH22 ARG A 58 0.376 19.796 -5.219 1.00 0.00 H new ATOM 955 N LYS A 59 2.302 11.783 -0.310 1.00 0.00 N ATOM 956 CA LYS A 59 3.128 10.857 0.467 1.00 0.00 C ATOM 957 C LYS A 59 3.919 10.018 -0.507 1.00 0.00 C ATOM 958 O LYS A 59 5.108 9.777 -0.289 1.00 0.00 O ATOM 959 CB LYS A 59 2.237 9.953 1.329 1.00 0.00 C ATOM 960 CG LYS A 59 2.805 9.476 2.673 1.00 0.00 C ATOM 961 CD LYS A 59 4.212 8.862 2.728 1.00 0.00 C ATOM 962 CE LYS A 59 5.270 9.923 3.042 1.00 0.00 C ATOM 963 NZ LYS A 59 6.476 9.338 3.652 1.00 0.00 N ATOM 0 H LYS A 59 1.308 11.556 -0.326 1.00 0.00 H new ATOM 0 HA LYS A 59 3.796 11.409 1.128 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.307 10.486 1.527 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.981 9.072 0.740 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.795 10.328 3.352 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.111 8.738 3.077 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.241 8.081 3.488 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.442 8.388 1.774 1.00 0.00 H new ATOM 0 HE2 LYS A 59 5.544 10.444 2.125 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.847 10.667 3.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 6.693 9.836 4.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.310 8.331 3.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 7.278 9.433 2.996 1.00 0.00 H new ATOM 977 N ARG A 60 3.291 9.613 -1.614 1.00 0.00 N ATOM 978 CA ARG A 60 4.017 8.968 -2.671 1.00 0.00 C ATOM 979 C ARG A 60 5.034 9.880 -3.322 1.00 0.00 C ATOM 980 O ARG A 60 5.807 9.332 -4.070 1.00 0.00 O ATOM 981 CB ARG A 60 3.077 8.359 -3.730 1.00 0.00 C ATOM 982 CG ARG A 60 3.481 6.906 -3.980 1.00 0.00 C ATOM 983 CD ARG A 60 2.468 6.143 -4.828 1.00 0.00 C ATOM 984 NE ARG A 60 2.694 6.312 -6.274 1.00 0.00 N ATOM 985 CZ ARG A 60 1.839 6.012 -7.258 1.00 0.00 C ATOM 986 NH1 ARG A 60 0.583 5.652 -7.014 1.00 0.00 N ATOM 987 NH2 ARG A 60 2.268 6.096 -8.509 1.00 0.00 N ATOM 0 H ARG A 60 2.292 9.726 -1.786 1.00 0.00 H new ATOM 0 HA ARG A 60 4.567 8.154 -2.199 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.043 8.408 -3.388 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.134 8.930 -4.657 1.00 0.00 H new ATOM 0 HG2 ARG A 60 4.451 6.885 -4.476 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.601 6.398 -3.023 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.517 5.083 -4.578 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.463 6.483 -4.579 1.00 0.00 H new ATOM 0 HE ARG A 60 3.596 6.698 -6.554 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.245 5.598 -6.053 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -0.043 5.430 -7.788 1.00 0.00 H new ATOM 0 HH21 ARG A 60 3.228 6.383 -8.701 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.638 5.873 -9.280 1.00 0.00 H new ATOM 1001 N GLU A 61 5.123 11.192 -3.113 1.00 0.00 N ATOM 1002 CA GLU A 61 5.895 12.021 -4.035 1.00 0.00 C ATOM 1003 C GLU A 61 7.384 11.673 -3.947 1.00 0.00 C ATOM 1004 O GLU A 61 8.053 11.492 -4.968 1.00 0.00 O ATOM 1005 CB GLU A 61 5.622 13.495 -3.697 1.00 0.00 C ATOM 1006 CG GLU A 61 5.579 14.391 -4.934 1.00 0.00 C ATOM 1007 CD GLU A 61 4.954 15.750 -4.616 1.00 0.00 C ATOM 1008 OE1 GLU A 61 3.719 15.839 -4.426 1.00 0.00 O ATOM 1009 OE2 GLU A 61 5.670 16.776 -4.619 1.00 0.00 O ATOM 0 H GLU A 61 4.685 11.691 -2.339 1.00 0.00 H new ATOM 0 HA GLU A 61 5.593 11.835 -5.066 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.673 13.571 -3.166 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.396 13.856 -3.020 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.589 14.534 -5.317 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.006 13.900 -5.721 1.00 0.00 H new ATOM 1016 N ILE A 62 7.893 11.482 -2.725 1.00 0.00 N ATOM 1017 CA ILE A 62 9.273 11.017 -2.561 1.00 0.00 C ATOM 1018 C ILE A 62 9.352 9.523 -2.916 1.00 0.00 C ATOM 1019 O ILE A 62 10.356 9.040 -3.445 1.00 0.00 O ATOM 1020 CB ILE A 62 9.779 11.327 -1.130 1.00 0.00 C ATOM 1021 CG1 ILE A 62 9.635 12.842 -0.852 1.00 0.00 C ATOM 1022 CG2 ILE A 62 11.245 10.886 -0.962 1.00 0.00 C ATOM 1023 CD1 ILE A 62 10.208 13.301 0.489 1.00 0.00 C ATOM 0 H ILE A 62 7.384 11.638 -1.855 1.00 0.00 H new ATOM 0 HA ILE A 62 9.935 11.550 -3.243 1.00 0.00 H new ATOM 0 HB ILE A 62 9.177 10.770 -0.412 1.00 0.00 H new ATOM 0 HG12 ILE A 62 10.130 13.393 -1.651 1.00 0.00 H new ATOM 0 HG13 ILE A 62 8.578 13.106 -0.890 1.00 0.00 H new ATOM 0 HG21 ILE A 62 11.580 11.113 0.050 1.00 0.00 H new ATOM 0 HG22 ILE A 62 11.325 9.813 -1.138 1.00 0.00 H new ATOM 0 HG23 ILE A 62 11.870 11.419 -1.679 1.00 0.00 H new ATOM 0 HD11 ILE A 62 10.063 14.376 0.598 1.00 0.00 H new ATOM 0 HD12 ILE A 62 9.697 12.782 1.300 1.00 0.00 H new ATOM 0 HD13 ILE A 62 11.273 13.073 0.527 1.00 0.00 H new ATOM 1035 N PHE A 63 8.288 8.771 -2.652 1.00 0.00 N ATOM 1036 CA PHE A 63 8.267 7.344 -2.908 1.00 0.00 C ATOM 1037 C PHE A 63 8.310 7.027 -4.403 1.00 0.00 C ATOM 1038 O PHE A 63 8.938 6.055 -4.792 1.00 0.00 O ATOM 1039 CB PHE A 63 7.013 6.742 -2.271 1.00 0.00 C ATOM 1040 CG PHE A 63 7.126 5.267 -1.997 1.00 0.00 C ATOM 1041 CD1 PHE A 63 8.173 4.808 -1.183 1.00 0.00 C ATOM 1042 CD2 PHE A 63 6.190 4.357 -2.516 1.00 0.00 C ATOM 1043 CE1 PHE A 63 8.264 3.458 -0.832 1.00 0.00 C ATOM 1044 CE2 PHE A 63 6.287 2.999 -2.177 1.00 0.00 C ATOM 1045 CZ PHE A 63 7.304 2.556 -1.313 1.00 0.00 C ATOM 0 H PHE A 63 7.422 9.136 -2.256 1.00 0.00 H new ATOM 0 HA PHE A 63 9.160 6.903 -2.465 1.00 0.00 H new ATOM 0 HB2 PHE A 63 6.805 7.262 -1.336 1.00 0.00 H new ATOM 0 HB3 PHE A 63 6.162 6.917 -2.929 1.00 0.00 H new ATOM 0 HD1 PHE A 63 8.916 5.505 -0.824 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.402 4.700 -3.170 1.00 0.00 H new ATOM 0 HE1 PHE A 63 9.066 3.113 -0.196 1.00 0.00 H new ATOM 0 HE2 PHE A 63 5.578 2.292 -2.581 1.00 0.00 H new ATOM 0 HZ PHE A 63 7.346 1.518 -1.019 1.00 0.00 H new ATOM 1055 N ASP A 64 7.635 7.820 -5.226 1.00 0.00 N ATOM 1056 CA ASP A 64 7.436 7.676 -6.658 1.00 0.00 C ATOM 1057 C ASP A 64 8.704 8.075 -7.395 1.00 0.00 C ATOM 1058 O ASP A 64 9.145 7.385 -8.315 1.00 0.00 O ATOM 1059 CB ASP A 64 6.243 8.538 -7.111 1.00 0.00 C ATOM 1060 CG ASP A 64 5.585 7.935 -8.347 1.00 0.00 C ATOM 1061 OD1 ASP A 64 4.801 6.978 -8.181 1.00 0.00 O ATOM 1062 OD2 ASP A 64 5.795 8.416 -9.482 1.00 0.00 O ATOM 0 H ASP A 64 7.171 8.657 -4.872 1.00 0.00 H new ATOM 0 HA ASP A 64 7.214 6.635 -6.891 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.514 8.613 -6.304 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.581 9.551 -7.330 1.00 0.00 H new ATOM 1067 N ARG A 65 9.341 9.175 -6.970 1.00 0.00 N ATOM 1068 CA ARG A 65 10.551 9.676 -7.594 1.00 0.00 C ATOM 1069 C ARG A 65 11.695 8.678 -7.452 1.00 0.00 C ATOM 1070 O ARG A 65 12.444 8.470 -8.407 1.00 0.00 O ATOM 1071 CB ARG A 65 10.865 11.091 -7.086 1.00 0.00 C ATOM 1072 CG ARG A 65 11.616 11.257 -5.759 1.00 0.00 C ATOM 1073 CD ARG A 65 11.793 12.724 -5.331 1.00 0.00 C ATOM 1074 NE ARG A 65 10.502 13.407 -5.157 1.00 0.00 N ATOM 1075 CZ ARG A 65 10.235 14.508 -4.448 1.00 0.00 C ATOM 1076 NH1 ARG A 65 11.140 15.108 -3.682 1.00 0.00 N ATOM 1077 NH2 ARG A 65 9.018 15.018 -4.523 1.00 0.00 N ATOM 0 H ARG A 65 9.022 9.737 -6.181 1.00 0.00 H new ATOM 0 HA ARG A 65 10.399 9.775 -8.669 1.00 0.00 H new ATOM 0 HB2 ARG A 65 11.446 11.596 -7.858 1.00 0.00 H new ATOM 0 HB3 ARG A 65 9.919 11.626 -6.998 1.00 0.00 H new ATOM 0 HG2 ARG A 65 11.078 10.722 -4.977 1.00 0.00 H new ATOM 0 HG3 ARG A 65 12.598 10.792 -5.846 1.00 0.00 H new ATOM 0 HD2 ARG A 65 12.353 12.764 -4.397 1.00 0.00 H new ATOM 0 HD3 ARG A 65 12.384 13.251 -6.080 1.00 0.00 H new ATOM 0 HE ARG A 65 9.708 12.986 -5.640 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.085 14.730 -3.617 1.00 0.00 H new ATOM 0 HH12 ARG A 65 10.890 15.947 -3.159 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.313 14.572 -5.110 1.00 0.00 H new ATOM 0 HH22 ARG A 65 8.783 15.858 -3.994 1.00 0.00 H new ATOM 1091 N TYR A 66 11.865 8.088 -6.270 1.00 0.00 N ATOM 1092 CA TYR A 66 12.931 7.119 -6.001 1.00 0.00 C ATOM 1093 C TYR A 66 12.523 5.650 -6.202 1.00 0.00 C ATOM 1094 O TYR A 66 13.366 4.860 -6.614 1.00 0.00 O ATOM 1095 CB TYR A 66 13.488 7.349 -4.594 1.00 0.00 C ATOM 1096 CG TYR A 66 14.221 8.666 -4.430 1.00 0.00 C ATOM 1097 CD1 TYR A 66 15.484 8.829 -5.027 1.00 0.00 C ATOM 1098 CD2 TYR A 66 13.673 9.707 -3.658 1.00 0.00 C ATOM 1099 CE1 TYR A 66 16.202 10.022 -4.846 1.00 0.00 C ATOM 1100 CE2 TYR A 66 14.406 10.880 -3.429 1.00 0.00 C ATOM 1101 CZ TYR A 66 15.683 11.031 -4.007 1.00 0.00 C ATOM 1102 OH TYR A 66 16.402 12.153 -3.749 1.00 0.00 O ATOM 0 H TYR A 66 11.264 8.269 -5.466 1.00 0.00 H new ATOM 0 HA TYR A 66 13.706 7.296 -6.747 1.00 0.00 H new ATOM 0 HB2 TYR A 66 12.667 7.310 -3.878 1.00 0.00 H new ATOM 0 HB3 TYR A 66 14.167 6.533 -4.345 1.00 0.00 H new ATOM 0 HD1 TYR A 66 15.903 8.034 -5.626 1.00 0.00 H new ATOM 0 HD2 TYR A 66 12.683 9.602 -3.240 1.00 0.00 H new ATOM 0 HE1 TYR A 66 17.148 10.167 -5.347 1.00 0.00 H new ATOM 0 HE2 TYR A 66 13.994 11.665 -2.812 1.00 0.00 H new ATOM 0 HH TYR A 66 15.890 12.740 -3.153 1.00 0.00 H new ATOM 1112 N GLY A 67 11.270 5.274 -5.939 1.00 0.00 N ATOM 1113 CA GLY A 67 10.743 3.914 -6.036 1.00 0.00 C ATOM 1114 C GLY A 67 11.378 2.984 -5.013 1.00 0.00 C ATOM 1115 O GLY A 67 12.398 2.373 -5.301 1.00 0.00 O ATOM 0 H GLY A 67 10.562 5.943 -5.638 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.663 3.932 -5.889 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.922 3.526 -7.039 1.00 0.00 H new ATOM 1119 N GLU A 68 10.758 2.825 -3.844 1.00 0.00 N ATOM 1120 CA GLU A 68 11.225 2.065 -2.690 1.00 0.00 C ATOM 1121 C GLU A 68 12.733 2.216 -2.436 1.00 0.00 C ATOM 1122 O GLU A 68 13.459 1.242 -2.232 1.00 0.00 O ATOM 1123 CB GLU A 68 10.780 0.597 -2.781 1.00 0.00 C ATOM 1124 CG GLU A 68 9.325 0.309 -3.167 1.00 0.00 C ATOM 1125 CD GLU A 68 8.828 -1.039 -2.613 1.00 0.00 C ATOM 1126 OE1 GLU A 68 9.321 -2.081 -3.118 1.00 0.00 O ATOM 1127 OE2 GLU A 68 7.924 -1.040 -1.735 1.00 0.00 O ATOM 0 H GLU A 68 9.850 3.256 -3.668 1.00 0.00 H new ATOM 0 HA GLU A 68 10.748 2.497 -1.810 1.00 0.00 H new ATOM 0 HB2 GLU A 68 11.423 0.097 -3.506 1.00 0.00 H new ATOM 0 HB3 GLU A 68 10.968 0.131 -1.814 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.687 1.110 -2.793 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.233 0.309 -4.253 1.00 0.00 H new ATOM 1134 N GLU A 69 13.208 3.457 -2.474 1.00 0.00 N ATOM 1135 CA GLU A 69 14.591 3.821 -2.182 1.00 0.00 C ATOM 1136 C GLU A 69 14.673 5.156 -1.432 1.00 0.00 C ATOM 1137 O GLU A 69 15.631 5.408 -0.708 1.00 0.00 O ATOM 1138 CB GLU A 69 15.370 3.878 -3.510 1.00 0.00 C ATOM 1139 CG GLU A 69 16.630 3.017 -3.463 1.00 0.00 C ATOM 1140 CD GLU A 69 17.707 3.619 -2.561 1.00 0.00 C ATOM 1141 OE1 GLU A 69 18.444 4.527 -3.025 1.00 0.00 O ATOM 1142 OE2 GLU A 69 17.819 3.186 -1.393 1.00 0.00 O ATOM 0 H GLU A 69 12.626 4.259 -2.715 1.00 0.00 H new ATOM 0 HA GLU A 69 15.034 3.070 -1.528 1.00 0.00 H new ATOM 0 HB2 GLU A 69 14.728 3.539 -4.323 1.00 0.00 H new ATOM 0 HB3 GLU A 69 15.643 4.911 -3.728 1.00 0.00 H new ATOM 0 HG2 GLU A 69 16.374 2.020 -3.104 1.00 0.00 H new ATOM 0 HG3 GLU A 69 17.026 2.901 -4.472 1.00 0.00 H new ATOM 1149 N GLY A 70 13.654 6.009 -1.564 1.00 0.00 N ATOM 1150 CA GLY A 70 13.715 7.391 -1.119 1.00 0.00 C ATOM 1151 C GLY A 70 13.018 7.664 0.203 1.00 0.00 C ATOM 1152 O GLY A 70 13.041 8.805 0.658 1.00 0.00 O ATOM 0 H GLY A 70 12.761 5.752 -1.986 1.00 0.00 H new ATOM 0 HA2 GLY A 70 14.761 7.684 -1.030 1.00 0.00 H new ATOM 0 HA3 GLY A 70 13.271 8.025 -1.886 1.00 0.00 H new ATOM 1156 N LEU A 71 12.311 6.687 0.781 1.00 0.00 N ATOM 1157 CA LEU A 71 11.370 6.931 1.871 1.00 0.00 C ATOM 1158 C LEU A 71 12.097 7.056 3.213 1.00 0.00 C ATOM 1159 O LEU A 71 11.759 6.383 4.187 1.00 0.00 O ATOM 1160 CB LEU A 71 10.276 5.846 1.852 1.00 0.00 C ATOM 1161 CG LEU A 71 8.863 6.301 2.269 1.00 0.00 C ATOM 1162 CD1 LEU A 71 8.736 6.651 3.753 1.00 0.00 C ATOM 1163 CD2 LEU A 71 8.327 7.481 1.438 1.00 0.00 C ATOM 0 H LEU A 71 12.377 5.707 0.504 1.00 0.00 H new ATOM 0 HA LEU A 71 10.873 7.890 1.728 1.00 0.00 H new ATOM 0 HB2 LEU A 71 10.220 5.432 0.845 1.00 0.00 H new ATOM 0 HB3 LEU A 71 10.585 5.036 2.513 1.00 0.00 H new ATOM 0 HG LEU A 71 8.253 5.420 2.068 1.00 0.00 H new ATOM 0 HD11 LEU A 71 7.713 6.962 3.967 1.00 0.00 H new ATOM 0 HD12 LEU A 71 8.984 5.777 4.355 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.420 7.464 3.995 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.329 7.748 1.786 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.992 8.337 1.551 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.280 7.195 0.387 1.00 0.00 H new ATOM 1175 N LYS A 72 13.078 7.949 3.314 1.00 0.00 N ATOM 1176 CA LYS A 72 13.741 8.300 4.569 1.00 0.00 C ATOM 1177 C LYS A 72 12.865 9.298 5.345 1.00 0.00 C ATOM 1178 O LYS A 72 13.351 10.276 5.917 1.00 0.00 O ATOM 1179 CB LYS A 72 15.183 8.754 4.262 1.00 0.00 C ATOM 1180 CG LYS A 72 16.212 8.282 5.310 1.00 0.00 C ATOM 1181 CD LYS A 72 16.267 9.086 6.616 1.00 0.00 C ATOM 1182 CE LYS A 72 16.679 10.523 6.305 1.00 0.00 C ATOM 1183 NZ LYS A 72 16.965 11.317 7.512 1.00 0.00 N ATOM 0 H LYS A 72 13.442 8.460 2.510 1.00 0.00 H new ATOM 0 HA LYS A 72 13.848 7.447 5.239 1.00 0.00 H new ATOM 0 HB2 LYS A 72 15.474 8.375 3.282 1.00 0.00 H new ATOM 0 HB3 LYS A 72 15.208 9.842 4.204 1.00 0.00 H new ATOM 0 HG2 LYS A 72 15.997 7.242 5.557 1.00 0.00 H new ATOM 0 HG3 LYS A 72 17.201 8.303 4.853 1.00 0.00 H new ATOM 0 HD2 LYS A 72 15.294 9.072 7.107 1.00 0.00 H new ATOM 0 HD3 LYS A 72 16.978 8.633 7.306 1.00 0.00 H new ATOM 0 HE2 LYS A 72 17.563 10.511 5.667 1.00 0.00 H new ATOM 0 HE3 LYS A 72 15.884 11.008 5.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 17.239 12.282 7.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 16.116 11.356 8.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 17.743 10.875 8.042 1.00 0.00 H new ATOM 1197 N GLY A 73 11.547 9.066 5.351 1.00 0.00 N ATOM 1198 CA GLY A 73 10.565 9.762 6.178 1.00 0.00 C ATOM 1199 C GLY A 73 10.596 9.256 7.622 1.00 0.00 C ATOM 1200 O GLY A 73 9.938 9.813 8.501 1.00 0.00 O ATOM 0 H GLY A 73 11.122 8.357 4.753 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.766 10.833 6.161 1.00 0.00 H new ATOM 0 HA3 GLY A 73 9.568 9.618 5.761 1.00 0.00 H new ATOM 1204 N SER A 74 11.349 8.194 7.881 1.00 0.00 N ATOM 1205 CA SER A 74 11.869 7.779 9.168 1.00 0.00 C ATOM 1206 C SER A 74 13.288 7.262 8.885 1.00 0.00 C ATOM 1207 O SER A 74 13.677 7.157 7.716 1.00 0.00 O ATOM 1208 CB SER A 74 10.928 6.734 9.777 1.00 0.00 C ATOM 1209 OG SER A 74 9.637 7.301 9.942 1.00 0.00 O ATOM 0 H SER A 74 11.630 7.555 7.137 1.00 0.00 H new ATOM 0 HA SER A 74 11.923 8.579 9.906 1.00 0.00 H new ATOM 0 HB2 SER A 74 10.873 5.858 9.131 1.00 0.00 H new ATOM 0 HB3 SER A 74 11.315 6.397 10.739 1.00 0.00 H new ATOM 0 HG SER A 74 9.643 8.227 9.622 1.00 0.00 H new ATOM 1215 N GLY A 75 14.079 6.986 9.916 1.00 0.00 N ATOM 1216 CA GLY A 75 15.522 6.819 9.808 1.00 0.00 C ATOM 1217 C GLY A 75 16.213 7.753 10.796 1.00 0.00 C ATOM 1218 O GLY A 75 15.587 8.203 11.768 1.00 0.00 O ATOM 0 H GLY A 75 13.728 6.870 10.867 1.00 0.00 H new ATOM 0 HA2 GLY A 75 15.796 5.785 10.015 1.00 0.00 H new ATOM 0 HA3 GLY A 75 15.850 7.039 8.792 1.00 0.00 H new ATOM 1222 N CYS A 76 17.498 8.016 10.570 1.00 0.00 N ATOM 1223 CA CYS A 76 18.326 8.921 11.358 1.00 0.00 C ATOM 1224 C CYS A 76 17.903 10.360 11.090 1.00 0.00 C ATOM 1225 O CYS A 76 17.467 11.046 12.039 1.00 0.00 O ATOM 1226 CB CYS A 76 19.804 8.737 10.993 1.00 0.00 C ATOM 1227 SG CYS A 76 20.310 7.004 11.196 1.00 0.00 S ATOM 0 H CYS A 76 18.011 7.586 9.800 1.00 0.00 H new ATOM 0 HA CYS A 76 18.195 8.695 12.416 1.00 0.00 H new ATOM 0 HB2 CYS A 76 19.970 9.050 9.962 1.00 0.00 H new ATOM 0 HB3 CYS A 76 20.421 9.377 11.624 1.00 0.00 H new ATOM 0 HG CYS A 76 21.564 6.878 10.878 1.00 0.00 H new TER 1233 CYS A 76