USER MOD reduce.3.24.130724 H: found=0, std=0, add=1032, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1040 hydrogens (8 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 19 LYS NZ :NH3+ 175:sc= 0.168 (180deg=0) USER MOD Set 1.2: B 62 TYR OH : rot 180:sc= 0.161 USER MOD Set 2.1: B 44 THR OG1 : rot 148:sc= 1.12 USER MOD Set 2.2: B 47 SER OG : rot -83:sc= 0.336! USER MOD Set 3.1: A 19 LYS NZ :NH3+ 177:sc= 0.163 (180deg=0) USER MOD Set 3.2: A 62 TYR OH : rot 180:sc= 0.165 USER MOD Set 4.1: A 44 THR OG1 : rot -102:sc= 0.383! USER MOD Set 4.2: A 47 SER OG : rot 170:sc= 0.935! USER MOD Single : A 1 ALA N :NH3+ -119:sc= -1.07 (180deg=-3.58!) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 169:sc= -0.554 USER MOD Single : A 14 SER OG : rot -84:sc= 1.4 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.142! USER MOD Single : A 23 ASN : amide:sc= -3.02! C(o=-3!,f=-3.8!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 29:sc= -1.19 USER MOD Single : A 32 SER OG : rot -130:sc= -0.0655 USER MOD Single : A 33 SER OG : rot 180:sc= -0.0852 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.087) USER MOD Single : A 43 GLN : amide:sc= -3.36! K(o=-3.4!,f=-1.5) USER MOD Single : A 45 LYS NZ :NH3+ -161:sc= 0.494 (180deg=-0.204!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -1.72 K(o=-1.7,f=-2.3!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= -0.0262 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.0306 X(o=-0.031,f=0) USER MOD Single : B 1 ALA N :NH3+ -122:sc= -1.07 (180deg=-3.51!) USER MOD Single : B 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 5 SER OG : rot 180:sc= 0 USER MOD Single : B 9 THR OG1 : rot 166:sc= -0.543 USER MOD Single : B 14 SER OG : rot -86:sc= 1.44 USER MOD Single : B 15 TYR OH : rot 180:sc= 0 USER MOD Single : B 16 THR OG1 : rot 180:sc= 0.0766! USER MOD Single : B 23 ASN : amide:sc= -2.97! C(o=-3!,f=-3.6!) USER MOD Single : B 28 TYR OH : rot 180:sc= 0 USER MOD Single : B 29 TYR OH : rot 180:sc= 0 USER MOD Single : B 31 THR OG1 : rot 39:sc= -1.4! USER MOD Single : B 32 SER OG : rot -130:sc= -0.0709 USER MOD Single : B 33 SER OG : rot 180:sc= -0.11 USER MOD Single : B 36 SER OG : rot 180:sc= 0 USER MOD Single : B 37 GLN : amide:sc= 0 X(o=0,f=-0.077) USER MOD Single : B 43 GLN : amide:sc= -3.32! K(o=-3.3!,f=-1.5) USER MOD Single : B 45 LYS NZ :NH3+ -172:sc= 0.745 (180deg=-0.404!) USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 GLN : amide:sc= -1.72 K(o=-1.7,f=-2.3!) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 57 SER OG : rot 180:sc= -0.0172 USER MOD Single : B 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 64 TYR OH : rot 180:sc= 0 USER MOD Single : B 69 ASN : amide:sc=-0.00532 X(o=-0.0053,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -11.704 18.147 -12.637 1.00 3.98 N ATOM 2 CA ALA A 1 -10.992 16.838 -12.639 1.00 3.41 C ATOM 3 C ALA A 1 -10.620 16.449 -11.200 1.00 2.89 C ATOM 4 O ALA A 1 -9.455 16.426 -10.858 1.00 2.91 O ATOM 5 CB ALA A 1 -9.715 16.960 -13.474 1.00 3.83 C ATOM 0 H1 ALA A 1 -12.660 18.023 -13.026 1.00 3.98 H new ATOM 0 H2 ALA A 1 -11.770 18.505 -11.663 1.00 3.98 H new ATOM 0 H3 ALA A 1 -11.179 18.829 -13.221 1.00 3.98 H new ATOM 0 HA ALA A 1 -11.641 16.073 -13.065 1.00 3.41 H new ATOM 0 HB1 ALA A 1 -9.190 16.005 -13.478 1.00 3.83 H new ATOM 0 HB2 ALA A 1 -9.974 17.237 -14.496 1.00 3.83 H new ATOM 0 HB3 ALA A 1 -9.070 17.726 -13.043 1.00 3.83 H new ATOM 13 N PRO A 2 -11.616 16.156 -10.388 1.00 2.53 N ATOM 14 CA PRO A 2 -11.377 15.773 -8.983 1.00 2.14 C ATOM 15 C PRO A 2 -10.540 14.487 -8.925 1.00 1.85 C ATOM 16 O PRO A 2 -10.692 13.598 -9.740 1.00 1.89 O ATOM 17 CB PRO A 2 -12.789 15.560 -8.382 1.00 1.96 C ATOM 18 CG PRO A 2 -13.826 15.850 -9.507 1.00 2.21 C ATOM 19 CD PRO A 2 -13.040 16.182 -10.795 1.00 2.60 C ATOM 0 HA PRO A 2 -10.820 16.528 -8.428 1.00 2.14 H new ATOM 0 HB2 PRO A 2 -12.899 14.540 -8.013 1.00 1.96 H new ATOM 0 HB3 PRO A 2 -12.948 16.225 -7.533 1.00 1.96 H new ATOM 0 HG2 PRO A 2 -14.471 14.986 -9.665 1.00 2.21 H new ATOM 0 HG3 PRO A 2 -14.471 16.683 -9.227 1.00 2.21 H new ATOM 0 HD2 PRO A 2 -13.240 15.452 -11.580 1.00 2.60 H new ATOM 0 HD3 PRO A 2 -13.321 17.159 -11.189 1.00 2.60 H new ATOM 27 N MET A 3 -9.661 14.382 -7.965 1.00 1.69 N ATOM 28 CA MET A 3 -8.822 13.155 -7.855 1.00 1.53 C ATOM 29 C MET A 3 -9.638 12.041 -7.197 1.00 1.17 C ATOM 30 O MET A 3 -10.811 12.197 -6.921 1.00 0.99 O ATOM 31 CB MET A 3 -7.586 13.455 -7.002 1.00 1.63 C ATOM 32 CG MET A 3 -8.021 13.993 -5.638 1.00 2.15 C ATOM 33 SD MET A 3 -6.558 14.406 -4.658 1.00 2.54 S ATOM 34 CE MET A 3 -7.346 15.619 -3.571 1.00 3.59 C ATOM 0 H MET A 3 -9.488 15.092 -7.253 1.00 1.69 H new ATOM 0 HA MET A 3 -8.507 12.838 -8.849 1.00 1.53 H new ATOM 0 HB2 MET A 3 -6.992 12.550 -6.874 1.00 1.63 H new ATOM 0 HB3 MET A 3 -6.952 14.184 -7.506 1.00 1.63 H new ATOM 0 HG2 MET A 3 -8.647 14.876 -5.766 1.00 2.15 H new ATOM 0 HG3 MET A 3 -8.623 13.249 -5.117 1.00 2.15 H new ATOM 0 HE1 MET A 3 -6.610 16.012 -2.870 1.00 3.59 H new ATOM 0 HE2 MET A 3 -7.749 16.436 -4.169 1.00 3.59 H new ATOM 0 HE3 MET A 3 -8.155 15.141 -3.018 1.00 3.59 H new ATOM 44 N GLY A 4 -9.031 10.913 -6.946 1.00 1.14 N ATOM 45 CA GLY A 4 -9.779 9.792 -6.309 1.00 0.89 C ATOM 46 C GLY A 4 -10.306 10.235 -4.942 1.00 0.62 C ATOM 47 O GLY A 4 -10.097 11.355 -4.519 1.00 0.70 O ATOM 0 H GLY A 4 -8.051 10.719 -7.154 1.00 1.14 H new ATOM 0 HA2 GLY A 4 -10.608 9.486 -6.947 1.00 0.89 H new ATOM 0 HA3 GLY A 4 -9.128 8.926 -6.195 1.00 0.89 H new ATOM 51 N SER A 5 -11.002 9.368 -4.248 1.00 0.44 N ATOM 52 CA SER A 5 -11.557 9.744 -2.910 1.00 0.30 C ATOM 53 C SER A 5 -10.541 9.420 -1.798 1.00 0.27 C ATOM 54 O SER A 5 -9.962 10.307 -1.203 1.00 0.30 O ATOM 55 CB SER A 5 -12.880 8.991 -2.685 1.00 0.49 C ATOM 56 OG SER A 5 -13.924 9.938 -2.499 1.00 1.52 O ATOM 0 H SER A 5 -11.210 8.416 -4.550 1.00 0.44 H new ATOM 0 HA SER A 5 -11.749 10.816 -2.881 1.00 0.30 H new ATOM 0 HB2 SER A 5 -13.099 8.351 -3.540 1.00 0.49 H new ATOM 0 HB3 SER A 5 -12.800 8.342 -1.813 1.00 0.49 H new ATOM 0 HG SER A 5 -14.771 9.467 -2.357 1.00 1.52 H new ATOM 62 N ASP A 6 -10.327 8.161 -1.504 1.00 0.24 N ATOM 63 CA ASP A 6 -9.354 7.805 -0.421 1.00 0.23 C ATOM 64 C ASP A 6 -8.832 6.375 -0.633 1.00 0.21 C ATOM 65 O ASP A 6 -9.170 5.484 0.122 1.00 0.20 O ATOM 66 CB ASP A 6 -10.051 7.887 0.949 1.00 0.25 C ATOM 67 CG ASP A 6 -8.999 7.980 2.057 1.00 1.26 C ATOM 68 OD1 ASP A 6 -7.900 7.492 1.846 1.00 2.00 O ATOM 69 OD2 ASP A 6 -9.309 8.537 3.097 1.00 2.03 O ATOM 0 H ASP A 6 -10.779 7.369 -1.962 1.00 0.24 H new ATOM 0 HA ASP A 6 -8.519 8.505 -0.453 1.00 0.23 H new ATOM 0 HB2 ASP A 6 -10.707 8.757 0.983 1.00 0.25 H new ATOM 0 HB3 ASP A 6 -10.678 7.009 1.102 1.00 0.25 H new ATOM 74 N PRO A 7 -8.021 6.184 -1.650 1.00 0.22 N ATOM 75 CA PRO A 7 -7.461 4.853 -1.946 1.00 0.22 C ATOM 76 C PRO A 7 -6.526 4.416 -0.796 1.00 0.20 C ATOM 77 O PRO A 7 -6.156 5.230 0.027 1.00 0.20 O ATOM 78 CB PRO A 7 -6.681 5.037 -3.271 1.00 0.25 C ATOM 79 CG PRO A 7 -6.797 6.537 -3.678 1.00 0.27 C ATOM 80 CD PRO A 7 -7.608 7.257 -2.579 1.00 0.26 C ATOM 0 HA PRO A 7 -8.224 4.080 -2.040 1.00 0.22 H new ATOM 0 HB2 PRO A 7 -5.636 4.754 -3.143 1.00 0.25 H new ATOM 0 HB3 PRO A 7 -7.092 4.395 -4.050 1.00 0.25 H new ATOM 0 HG2 PRO A 7 -5.808 6.984 -3.779 1.00 0.27 H new ATOM 0 HG3 PRO A 7 -7.291 6.634 -4.645 1.00 0.27 H new ATOM 0 HD2 PRO A 7 -7.005 8.009 -2.071 1.00 0.26 H new ATOM 0 HD3 PRO A 7 -8.473 7.772 -2.998 1.00 0.26 H new ATOM 88 N PRO A 8 -6.162 3.149 -0.772 1.00 0.21 N ATOM 89 CA PRO A 8 -5.263 2.620 0.275 1.00 0.22 C ATOM 90 C PRO A 8 -3.910 3.350 0.221 1.00 0.22 C ATOM 91 O PRO A 8 -3.809 4.453 -0.279 1.00 0.22 O ATOM 92 CB PRO A 8 -5.106 1.116 -0.062 1.00 0.24 C ATOM 93 CG PRO A 8 -5.838 0.862 -1.412 1.00 0.26 C ATOM 94 CD PRO A 8 -6.609 2.152 -1.769 1.00 0.24 C ATOM 0 HA PRO A 8 -5.654 2.765 1.282 1.00 0.22 H new ATOM 0 HB2 PRO A 8 -4.052 0.848 -0.141 1.00 0.24 H new ATOM 0 HB3 PRO A 8 -5.534 0.499 0.728 1.00 0.24 H new ATOM 0 HG2 PRO A 8 -5.122 0.613 -2.196 1.00 0.26 H new ATOM 0 HG3 PRO A 8 -6.522 0.018 -1.325 1.00 0.26 H new ATOM 0 HD2 PRO A 8 -6.383 2.479 -2.784 1.00 0.24 H new ATOM 0 HD3 PRO A 8 -7.686 1.996 -1.716 1.00 0.24 H new ATOM 102 N THR A 9 -2.873 2.739 0.731 1.00 0.23 N ATOM 103 CA THR A 9 -1.530 3.392 0.710 1.00 0.24 C ATOM 104 C THR A 9 -0.440 2.322 0.738 1.00 0.24 C ATOM 105 O THR A 9 -0.448 1.429 1.562 1.00 0.25 O ATOM 106 CB THR A 9 -1.381 4.293 1.935 1.00 0.25 C ATOM 107 OG1 THR A 9 -2.536 5.111 2.062 1.00 0.26 O ATOM 108 CG2 THR A 9 -0.140 5.175 1.777 1.00 0.29 C ATOM 0 H THR A 9 -2.898 1.815 1.162 1.00 0.23 H new ATOM 0 HA THR A 9 -1.434 3.988 -0.197 1.00 0.24 H new ATOM 0 HB THR A 9 -1.272 3.677 2.828 1.00 0.25 H new ATOM 0 HG1 THR A 9 -2.528 5.555 2.935 1.00 0.26 H new ATOM 0 HG21 THR A 9 -0.036 5.817 2.652 1.00 0.29 H new ATOM 0 HG22 THR A 9 0.744 4.545 1.682 1.00 0.29 H new ATOM 0 HG23 THR A 9 -0.244 5.792 0.885 1.00 0.29 H new ATOM 116 N ALA A 10 0.502 2.413 -0.155 1.00 0.23 N ATOM 117 CA ALA A 10 1.601 1.412 -0.191 1.00 0.23 C ATOM 118 C ALA A 10 2.494 1.586 1.039 1.00 0.22 C ATOM 119 O ALA A 10 3.538 2.202 0.975 1.00 0.27 O ATOM 120 CB ALA A 10 2.430 1.629 -1.456 1.00 0.23 C ATOM 0 H ALA A 10 0.558 3.142 -0.866 1.00 0.23 H new ATOM 0 HA ALA A 10 1.182 0.406 -0.191 1.00 0.23 H new ATOM 0 HB1 ALA A 10 3.239 0.899 -1.491 1.00 0.23 H new ATOM 0 HB2 ALA A 10 1.794 1.508 -2.333 1.00 0.23 H new ATOM 0 HB3 ALA A 10 2.850 2.635 -1.448 1.00 0.23 H new ATOM 126 N CYS A 11 2.090 1.038 2.158 1.00 0.25 N ATOM 127 CA CYS A 11 2.908 1.152 3.407 1.00 0.25 C ATOM 128 C CYS A 11 3.521 -0.214 3.718 1.00 0.25 C ATOM 129 O CYS A 11 2.863 -1.232 3.632 1.00 0.26 O ATOM 130 CB CYS A 11 2.010 1.588 4.568 1.00 0.25 C ATOM 131 SG CYS A 11 1.234 3.176 4.169 1.00 0.33 S ATOM 0 H CYS A 11 1.222 0.512 2.261 1.00 0.25 H new ATOM 0 HA CYS A 11 3.698 1.891 3.269 1.00 0.25 H new ATOM 0 HB2 CYS A 11 1.245 0.834 4.753 1.00 0.25 H new ATOM 0 HB3 CYS A 11 2.597 1.678 5.482 1.00 0.25 H new ATOM 136 N CYS A 12 4.777 -0.249 4.065 1.00 0.24 N ATOM 137 CA CYS A 12 5.430 -1.553 4.367 1.00 0.24 C ATOM 138 C CYS A 12 4.916 -2.093 5.703 1.00 0.24 C ATOM 139 O CYS A 12 4.741 -1.359 6.655 1.00 0.27 O ATOM 140 CB CYS A 12 6.946 -1.360 4.445 1.00 0.24 C ATOM 141 SG CYS A 12 7.568 -0.812 2.837 1.00 0.24 S ATOM 0 H CYS A 12 5.380 0.569 4.153 1.00 0.24 H new ATOM 0 HA CYS A 12 5.193 -2.264 3.576 1.00 0.24 H new ATOM 0 HB2 CYS A 12 7.191 -0.625 5.211 1.00 0.24 H new ATOM 0 HB3 CYS A 12 7.428 -2.294 4.734 1.00 0.24 H new ATOM 146 N PHE A 13 4.685 -3.380 5.780 1.00 0.25 N ATOM 147 CA PHE A 13 4.191 -3.994 7.052 1.00 0.27 C ATOM 148 C PHE A 13 5.364 -4.702 7.735 1.00 0.24 C ATOM 149 O PHE A 13 5.336 -4.987 8.915 1.00 0.26 O ATOM 150 CB PHE A 13 3.092 -5.012 6.729 1.00 0.30 C ATOM 151 CG PHE A 13 3.696 -6.204 6.024 1.00 0.31 C ATOM 152 CD1 PHE A 13 3.973 -6.140 4.646 1.00 0.31 C ATOM 153 CD2 PHE A 13 3.992 -7.374 6.750 1.00 0.35 C ATOM 154 CE1 PHE A 13 4.544 -7.247 3.992 1.00 0.34 C ATOM 155 CE2 PHE A 13 4.565 -8.481 6.097 1.00 0.37 C ATOM 156 CZ PHE A 13 4.840 -8.418 4.718 1.00 0.37 C ATOM 0 H PHE A 13 4.818 -4.037 5.011 1.00 0.25 H new ATOM 0 HA PHE A 13 3.785 -3.226 7.711 1.00 0.27 H new ATOM 0 HB2 PHE A 13 2.597 -5.332 7.646 1.00 0.30 H new ATOM 0 HB3 PHE A 13 2.330 -4.552 6.100 1.00 0.30 H new ATOM 0 HD1 PHE A 13 3.747 -5.242 4.091 1.00 0.31 H new ATOM 0 HD2 PHE A 13 3.779 -7.422 7.808 1.00 0.35 H new ATOM 0 HE1 PHE A 13 4.755 -7.199 2.934 1.00 0.34 H new ATOM 0 HE2 PHE A 13 4.794 -9.378 6.653 1.00 0.37 H new ATOM 0 HZ PHE A 13 5.278 -9.268 4.216 1.00 0.37 H new ATOM 166 N SER A 14 6.394 -4.984 6.985 1.00 0.21 N ATOM 167 CA SER A 14 7.583 -5.673 7.557 1.00 0.20 C ATOM 168 C SER A 14 8.803 -5.338 6.697 1.00 0.18 C ATOM 169 O SER A 14 8.861 -4.296 6.075 1.00 0.17 O ATOM 170 CB SER A 14 7.352 -7.185 7.550 1.00 0.20 C ATOM 171 OG SER A 14 7.195 -7.631 6.209 1.00 0.25 O ATOM 0 H SER A 14 6.462 -4.764 5.991 1.00 0.21 H new ATOM 0 HA SER A 14 7.747 -5.342 8.583 1.00 0.20 H new ATOM 0 HB2 SER A 14 8.194 -7.695 8.019 1.00 0.20 H new ATOM 0 HB3 SER A 14 6.465 -7.431 8.133 1.00 0.20 H new ATOM 0 HG SER A 14 6.265 -7.501 5.928 1.00 0.25 H new ATOM 177 N TYR A 15 9.782 -6.201 6.655 1.00 0.19 N ATOM 178 CA TYR A 15 10.994 -5.910 5.831 1.00 0.20 C ATOM 179 C TYR A 15 11.675 -7.215 5.427 1.00 0.24 C ATOM 180 O TYR A 15 11.412 -8.265 5.980 1.00 0.29 O ATOM 181 CB TYR A 15 11.974 -5.057 6.648 1.00 0.22 C ATOM 182 CG TYR A 15 11.215 -4.020 7.440 1.00 0.21 C ATOM 183 CD1 TYR A 15 10.720 -4.338 8.719 1.00 0.25 C ATOM 184 CD2 TYR A 15 11.003 -2.736 6.901 1.00 0.21 C ATOM 185 CE1 TYR A 15 10.010 -3.374 9.459 1.00 0.28 C ATOM 186 CE2 TYR A 15 10.294 -1.772 7.643 1.00 0.23 C ATOM 187 CZ TYR A 15 9.798 -2.090 8.921 1.00 0.27 C ATOM 188 OH TYR A 15 9.103 -1.144 9.647 1.00 0.32 O ATOM 0 H TYR A 15 9.797 -7.091 7.153 1.00 0.19 H new ATOM 0 HA TYR A 15 10.694 -5.369 4.934 1.00 0.20 H new ATOM 0 HB2 TYR A 15 12.549 -5.693 7.321 1.00 0.22 H new ATOM 0 HB3 TYR A 15 12.687 -4.569 5.983 1.00 0.22 H new ATOM 0 HD1 TYR A 15 10.885 -5.322 9.132 1.00 0.25 H new ATOM 0 HD2 TYR A 15 11.384 -2.491 5.920 1.00 0.21 H new ATOM 0 HE1 TYR A 15 9.628 -3.619 10.439 1.00 0.28 H new ATOM 0 HE2 TYR A 15 10.131 -0.787 7.231 1.00 0.23 H new ATOM 0 HH TYR A 15 9.047 -0.312 9.132 1.00 0.32 H new ATOM 198 N THR A 16 12.557 -7.152 4.470 1.00 0.22 N ATOM 199 CA THR A 16 13.265 -8.388 4.032 1.00 0.28 C ATOM 200 C THR A 16 14.061 -8.951 5.212 1.00 0.32 C ATOM 201 O THR A 16 13.848 -8.576 6.348 1.00 0.38 O ATOM 202 CB THR A 16 14.200 -8.058 2.861 1.00 0.28 C ATOM 203 OG1 THR A 16 15.009 -9.184 2.560 1.00 0.39 O ATOM 204 CG2 THR A 16 15.092 -6.871 3.224 1.00 0.27 C ATOM 0 H THR A 16 12.818 -6.301 3.973 1.00 0.22 H new ATOM 0 HA THR A 16 12.543 -9.134 3.699 1.00 0.28 H new ATOM 0 HB THR A 16 13.598 -7.801 1.989 1.00 0.28 H new ATOM 0 HG1 THR A 16 15.603 -8.969 1.811 1.00 0.39 H new ATOM 0 HG21 THR A 16 15.753 -6.643 2.388 1.00 0.27 H new ATOM 0 HG22 THR A 16 14.471 -6.002 3.443 1.00 0.27 H new ATOM 0 HG23 THR A 16 15.690 -7.120 4.101 1.00 0.27 H new ATOM 212 N ALA A 17 14.979 -9.845 4.956 1.00 0.36 N ATOM 213 CA ALA A 17 15.793 -10.435 6.061 1.00 0.42 C ATOM 214 C ALA A 17 17.229 -10.610 5.570 1.00 0.45 C ATOM 215 O ALA A 17 18.033 -11.283 6.184 1.00 0.63 O ATOM 216 CB ALA A 17 15.213 -11.796 6.449 1.00 0.50 C ATOM 0 H ALA A 17 15.202 -10.194 4.024 1.00 0.36 H new ATOM 0 HA ALA A 17 15.776 -9.778 6.931 1.00 0.42 H new ATOM 0 HB1 ALA A 17 15.806 -12.228 7.255 1.00 0.50 H new ATOM 0 HB2 ALA A 17 14.183 -11.671 6.783 1.00 0.50 H new ATOM 0 HB3 ALA A 17 15.236 -12.461 5.586 1.00 0.50 H new ATOM 222 N ARG A 18 17.555 -9.993 4.465 1.00 0.47 N ATOM 223 CA ARG A 18 18.938 -10.097 3.911 1.00 0.48 C ATOM 224 C ARG A 18 19.356 -8.730 3.368 1.00 0.41 C ATOM 225 O ARG A 18 18.675 -8.141 2.552 1.00 0.37 O ATOM 226 CB ARG A 18 18.967 -11.122 2.767 1.00 0.53 C ATOM 227 CG ARG A 18 18.725 -12.555 3.306 1.00 0.70 C ATOM 228 CD ARG A 18 17.248 -12.941 3.155 1.00 1.15 C ATOM 229 NE ARG A 18 16.996 -14.219 3.878 1.00 1.96 N ATOM 230 CZ ARG A 18 15.773 -14.607 4.118 1.00 2.64 C ATOM 231 NH1 ARG A 18 14.768 -13.883 3.707 1.00 2.84 N ATOM 232 NH2 ARG A 18 15.557 -15.720 4.762 1.00 3.63 N ATOM 0 H ARG A 18 16.917 -9.416 3.917 1.00 0.47 H new ATOM 0 HA ARG A 18 19.622 -10.417 4.697 1.00 0.48 H new ATOM 0 HB2 ARG A 18 18.204 -10.872 2.030 1.00 0.53 H new ATOM 0 HB3 ARG A 18 19.930 -11.078 2.257 1.00 0.53 H new ATOM 0 HG2 ARG A 18 19.350 -13.265 2.764 1.00 0.70 H new ATOM 0 HG3 ARG A 18 19.016 -12.610 4.355 1.00 0.70 H new ATOM 0 HD2 ARG A 18 16.611 -12.152 3.555 1.00 1.15 H new ATOM 0 HD3 ARG A 18 16.995 -13.051 2.100 1.00 1.15 H new ATOM 0 HE ARG A 18 17.781 -14.792 4.186 1.00 1.96 H new ATOM 0 HH11 ARG A 18 14.939 -13.015 3.199 1.00 2.84 H new ATOM 0 HH12 ARG A 18 13.812 -14.185 3.894 1.00 2.84 H new ATOM 0 HH21 ARG A 18 16.344 -16.287 5.078 1.00 3.63 H new ATOM 0 HH22 ARG A 18 14.601 -16.023 4.950 1.00 3.63 H new ATOM 246 N LYS A 19 20.470 -8.220 3.813 1.00 0.40 N ATOM 247 CA LYS A 19 20.930 -6.893 3.320 1.00 0.35 C ATOM 248 C LYS A 19 21.204 -6.992 1.817 1.00 0.31 C ATOM 249 O LYS A 19 21.964 -7.828 1.370 1.00 0.33 O ATOM 250 CB LYS A 19 22.211 -6.497 4.072 1.00 0.38 C ATOM 251 CG LYS A 19 22.622 -5.038 3.751 1.00 0.40 C ATOM 252 CD LYS A 19 23.817 -4.992 2.785 1.00 0.62 C ATOM 253 CE LYS A 19 25.121 -5.254 3.549 1.00 0.97 C ATOM 254 NZ LYS A 19 26.170 -5.720 2.596 1.00 1.79 N ATOM 0 H LYS A 19 21.082 -8.665 4.497 1.00 0.40 H new ATOM 0 HA LYS A 19 20.167 -6.135 3.495 1.00 0.35 H new ATOM 0 HB2 LYS A 19 22.054 -6.605 5.145 1.00 0.38 H new ATOM 0 HB3 LYS A 19 23.020 -7.174 3.798 1.00 0.38 H new ATOM 0 HG2 LYS A 19 21.777 -4.508 3.312 1.00 0.40 H new ATOM 0 HG3 LYS A 19 22.878 -4.519 4.675 1.00 0.40 H new ATOM 0 HD2 LYS A 19 23.690 -5.738 2.000 1.00 0.62 H new ATOM 0 HD3 LYS A 19 23.862 -4.019 2.296 1.00 0.62 H new ATOM 0 HE2 LYS A 19 25.449 -4.344 4.052 1.00 0.97 H new ATOM 0 HE3 LYS A 19 24.958 -6.005 4.322 1.00 0.97 H new ATOM 0 HZ1 LYS A 19 27.068 -5.849 3.104 1.00 1.79 H new ATOM 0 HZ2 LYS A 19 25.878 -6.624 2.173 1.00 1.79 H new ATOM 0 HZ3 LYS A 19 26.296 -5.012 1.845 1.00 1.79 H new ATOM 268 N LEU A 20 20.573 -6.161 1.030 1.00 0.27 N ATOM 269 CA LEU A 20 20.783 -6.226 -0.445 1.00 0.27 C ATOM 270 C LEU A 20 22.197 -5.712 -0.799 1.00 0.27 C ATOM 271 O LEU A 20 22.480 -4.556 -0.553 1.00 0.27 O ATOM 272 CB LEU A 20 19.761 -5.324 -1.145 1.00 0.24 C ATOM 273 CG LEU A 20 18.367 -5.536 -0.555 1.00 0.23 C ATOM 274 CD1 LEU A 20 17.348 -4.793 -1.419 1.00 0.22 C ATOM 275 CD2 LEU A 20 18.024 -7.028 -0.542 1.00 0.27 C ATOM 0 H LEU A 20 19.922 -5.441 1.345 1.00 0.27 H new ATOM 0 HA LEU A 20 20.668 -7.260 -0.770 1.00 0.27 H new ATOM 0 HB2 LEU A 20 20.054 -4.280 -1.036 1.00 0.24 H new ATOM 0 HB3 LEU A 20 19.747 -5.541 -2.213 1.00 0.24 H new ATOM 0 HG LEU A 20 18.344 -5.157 0.467 1.00 0.23 H new ATOM 0 HD11 LEU A 20 16.349 -4.937 -1.008 1.00 0.22 H new ATOM 0 HD12 LEU A 20 17.587 -3.729 -1.429 1.00 0.22 H new ATOM 0 HD13 LEU A 20 17.381 -5.182 -2.437 1.00 0.22 H new ATOM 0 HD21 LEU A 20 17.029 -7.169 -0.120 1.00 0.27 H new ATOM 0 HD22 LEU A 20 18.044 -7.415 -1.561 1.00 0.27 H new ATOM 0 HD23 LEU A 20 18.754 -7.564 0.064 1.00 0.27 H new ATOM 287 N PRO A 21 23.054 -6.540 -1.381 1.00 0.31 N ATOM 288 CA PRO A 21 24.401 -6.074 -1.757 1.00 0.34 C ATOM 289 C PRO A 21 24.283 -4.856 -2.678 1.00 0.30 C ATOM 290 O PRO A 21 23.360 -4.751 -3.458 1.00 0.29 O ATOM 291 CB PRO A 21 25.043 -7.266 -2.502 1.00 0.39 C ATOM 292 CG PRO A 21 24.099 -8.486 -2.317 1.00 0.42 C ATOM 293 CD PRO A 21 22.783 -7.961 -1.706 1.00 0.35 C ATOM 0 HA PRO A 21 24.998 -5.771 -0.897 1.00 0.34 H new ATOM 0 HB2 PRO A 21 25.170 -7.035 -3.560 1.00 0.39 H new ATOM 0 HB3 PRO A 21 26.033 -7.482 -2.101 1.00 0.39 H new ATOM 0 HG2 PRO A 21 23.911 -8.974 -3.273 1.00 0.42 H new ATOM 0 HG3 PRO A 21 24.556 -9.230 -1.664 1.00 0.42 H new ATOM 0 HD2 PRO A 21 21.956 -8.055 -2.410 1.00 0.35 H new ATOM 0 HD3 PRO A 21 22.509 -8.525 -0.814 1.00 0.35 H new ATOM 301 N ARG A 22 25.214 -3.948 -2.609 1.00 0.31 N ATOM 302 CA ARG A 22 25.148 -2.762 -3.504 1.00 0.30 C ATOM 303 C ARG A 22 24.941 -3.242 -4.943 1.00 0.31 C ATOM 304 O ARG A 22 24.292 -2.596 -5.740 1.00 0.31 O ATOM 305 CB ARG A 22 26.448 -1.970 -3.410 1.00 0.33 C ATOM 306 CG ARG A 22 26.351 -0.740 -4.324 1.00 0.69 C ATOM 307 CD ARG A 22 27.550 0.203 -4.097 1.00 1.24 C ATOM 308 NE ARG A 22 27.081 1.626 -4.121 1.00 1.34 N ATOM 309 CZ ARG A 22 26.287 2.063 -5.066 1.00 2.07 C ATOM 310 NH1 ARG A 22 26.007 1.314 -6.096 1.00 2.89 N ATOM 311 NH2 ARG A 22 25.809 3.276 -4.999 1.00 2.44 N ATOM 0 H ARG A 22 26.013 -3.975 -1.976 1.00 0.31 H new ATOM 0 HA ARG A 22 24.321 -2.119 -3.204 1.00 0.30 H new ATOM 0 HB2 ARG A 22 26.627 -1.661 -2.380 1.00 0.33 H new ATOM 0 HB3 ARG A 22 27.291 -2.594 -3.706 1.00 0.33 H new ATOM 0 HG2 ARG A 22 26.323 -1.057 -5.367 1.00 0.69 H new ATOM 0 HG3 ARG A 22 25.421 -0.207 -4.128 1.00 0.69 H new ATOM 0 HD2 ARG A 22 28.024 -0.018 -3.141 1.00 1.24 H new ATOM 0 HD3 ARG A 22 28.302 0.044 -4.870 1.00 1.24 H new ATOM 0 HE ARG A 22 27.386 2.266 -3.388 1.00 1.34 H new ATOM 0 HH11 ARG A 22 26.408 0.379 -6.171 1.00 2.89 H new ATOM 0 HH12 ARG A 22 25.387 1.663 -6.827 1.00 2.89 H new ATOM 0 HH21 ARG A 22 26.055 3.878 -4.213 1.00 2.44 H new ATOM 0 HH22 ARG A 22 25.190 3.621 -5.732 1.00 2.44 H new ATOM 325 N ASN A 23 25.493 -4.380 -5.276 1.00 0.34 N ATOM 326 CA ASN A 23 25.334 -4.914 -6.660 1.00 0.37 C ATOM 327 C ASN A 23 23.908 -5.434 -6.859 1.00 0.37 C ATOM 328 O ASN A 23 23.626 -6.143 -7.805 1.00 0.40 O ATOM 329 CB ASN A 23 26.336 -6.051 -6.890 1.00 0.42 C ATOM 330 CG ASN A 23 25.955 -7.260 -6.033 1.00 1.47 C ATOM 331 OD1 ASN A 23 24.872 -7.793 -6.161 1.00 2.16 O ATOM 332 ND2 ASN A 23 26.808 -7.717 -5.156 1.00 2.38 N ATOM 0 H ASN A 23 26.047 -4.962 -4.648 1.00 0.34 H new ATOM 0 HA ASN A 23 25.523 -4.114 -7.376 1.00 0.37 H new ATOM 0 HB2 ASN A 23 26.348 -6.330 -7.944 1.00 0.42 H new ATOM 0 HB3 ASN A 23 27.343 -5.717 -6.637 1.00 0.42 H new ATOM 0 HD21 ASN A 23 26.564 -8.522 -4.579 1.00 2.38 H new ATOM 0 HD22 ASN A 23 27.718 -7.269 -5.048 1.00 2.38 H new ATOM 339 N PHE A 24 23.005 -5.096 -5.971 1.00 0.33 N ATOM 340 CA PHE A 24 21.592 -5.578 -6.102 1.00 0.33 C ATOM 341 C PHE A 24 20.644 -4.425 -5.760 1.00 0.30 C ATOM 342 O PHE A 24 19.544 -4.630 -5.287 1.00 0.28 O ATOM 343 CB PHE A 24 21.368 -6.745 -5.124 1.00 0.33 C ATOM 344 CG PHE A 24 20.201 -7.601 -5.573 1.00 0.35 C ATOM 345 CD1 PHE A 24 20.255 -8.265 -6.816 1.00 0.39 C ATOM 346 CD2 PHE A 24 19.067 -7.746 -4.749 1.00 0.35 C ATOM 347 CE1 PHE A 24 19.180 -9.068 -7.233 1.00 0.41 C ATOM 348 CE2 PHE A 24 17.989 -8.550 -5.169 1.00 0.37 C ATOM 349 CZ PHE A 24 18.046 -9.211 -6.410 1.00 0.41 C ATOM 0 H PHE A 24 23.185 -4.506 -5.159 1.00 0.33 H new ATOM 0 HA PHE A 24 21.400 -5.918 -7.120 1.00 0.33 H new ATOM 0 HB2 PHE A 24 22.270 -7.354 -5.063 1.00 0.33 H new ATOM 0 HB3 PHE A 24 21.177 -6.357 -4.124 1.00 0.33 H new ATOM 0 HD1 PHE A 24 21.124 -8.156 -7.448 1.00 0.39 H new ATOM 0 HD2 PHE A 24 19.024 -7.241 -3.795 1.00 0.35 H new ATOM 0 HE1 PHE A 24 19.223 -9.576 -8.185 1.00 0.41 H new ATOM 0 HE2 PHE A 24 17.119 -8.659 -4.539 1.00 0.37 H new ATOM 0 HZ PHE A 24 17.220 -9.828 -6.731 1.00 0.41 H new ATOM 359 N VAL A 25 21.070 -3.215 -6.000 1.00 0.30 N ATOM 360 CA VAL A 25 20.213 -2.032 -5.695 1.00 0.28 C ATOM 361 C VAL A 25 20.540 -0.917 -6.689 1.00 0.30 C ATOM 362 O VAL A 25 21.408 -0.099 -6.456 1.00 0.31 O ATOM 363 CB VAL A 25 20.501 -1.546 -4.271 1.00 0.24 C ATOM 364 CG1 VAL A 25 19.564 -0.389 -3.921 1.00 0.22 C ATOM 365 CG2 VAL A 25 20.277 -2.691 -3.280 1.00 0.23 C ATOM 0 H VAL A 25 21.983 -2.993 -6.398 1.00 0.30 H new ATOM 0 HA VAL A 25 19.161 -2.305 -5.776 1.00 0.28 H new ATOM 0 HB VAL A 25 21.536 -1.209 -4.213 1.00 0.24 H new ATOM 0 HG11 VAL A 25 19.772 -0.046 -2.907 1.00 0.22 H new ATOM 0 HG12 VAL A 25 19.722 0.431 -4.621 1.00 0.22 H new ATOM 0 HG13 VAL A 25 18.530 -0.727 -3.985 1.00 0.22 H new ATOM 0 HG21 VAL A 25 20.483 -2.342 -2.268 1.00 0.23 H new ATOM 0 HG22 VAL A 25 19.243 -3.030 -3.344 1.00 0.23 H new ATOM 0 HG23 VAL A 25 20.945 -3.517 -3.522 1.00 0.23 H new ATOM 375 N VAL A 26 19.858 -0.881 -7.802 1.00 0.33 N ATOM 376 CA VAL A 26 20.134 0.173 -8.816 1.00 0.36 C ATOM 377 C VAL A 26 19.373 1.445 -8.457 1.00 0.35 C ATOM 378 O VAL A 26 19.613 2.500 -9.011 1.00 0.37 O ATOM 379 CB VAL A 26 19.677 -0.320 -10.187 1.00 0.41 C ATOM 380 CG1 VAL A 26 20.636 -1.401 -10.687 1.00 0.78 C ATOM 381 CG2 VAL A 26 18.267 -0.903 -10.074 1.00 0.61 C ATOM 0 H VAL A 26 19.120 -1.539 -8.052 1.00 0.33 H new ATOM 0 HA VAL A 26 21.203 0.387 -8.836 1.00 0.36 H new ATOM 0 HB VAL A 26 19.672 0.514 -10.889 1.00 0.41 H new ATOM 0 HG11 VAL A 26 20.309 -1.753 -11.666 1.00 0.78 H new ATOM 0 HG12 VAL A 26 21.641 -0.987 -10.767 1.00 0.78 H new ATOM 0 HG13 VAL A 26 20.642 -2.235 -9.985 1.00 0.78 H new ATOM 0 HG21 VAL A 26 17.939 -1.255 -11.052 1.00 0.61 H new ATOM 0 HG22 VAL A 26 18.273 -1.736 -9.371 1.00 0.61 H new ATOM 0 HG23 VAL A 26 17.582 -0.133 -9.718 1.00 0.61 H new ATOM 391 N ASP A 27 18.456 1.361 -7.537 1.00 0.32 N ATOM 392 CA ASP A 27 17.687 2.575 -7.154 1.00 0.31 C ATOM 393 C ASP A 27 16.865 2.274 -5.908 1.00 0.27 C ATOM 394 O ASP A 27 16.993 1.225 -5.308 1.00 0.25 O ATOM 395 CB ASP A 27 16.749 2.966 -8.300 1.00 0.34 C ATOM 396 CG ASP A 27 16.214 4.379 -8.062 1.00 0.35 C ATOM 397 OD1 ASP A 27 16.983 5.215 -7.617 1.00 1.09 O ATOM 398 OD2 ASP A 27 15.044 4.600 -8.328 1.00 1.13 O ATOM 0 H ASP A 27 18.206 0.509 -7.036 1.00 0.32 H new ATOM 0 HA ASP A 27 18.374 3.396 -6.951 1.00 0.31 H new ATOM 0 HB2 ASP A 27 17.281 2.922 -9.250 1.00 0.34 H new ATOM 0 HB3 ASP A 27 15.922 2.259 -8.365 1.00 0.34 H new ATOM 403 N TYR A 28 16.015 3.179 -5.512 1.00 0.26 N ATOM 404 CA TYR A 28 15.187 2.929 -4.304 1.00 0.23 C ATOM 405 C TYR A 28 13.923 3.780 -4.349 1.00 0.25 C ATOM 406 O TYR A 28 13.649 4.472 -5.308 1.00 0.29 O ATOM 407 CB TYR A 28 15.990 3.243 -3.036 1.00 0.19 C ATOM 408 CG TYR A 28 16.130 4.740 -2.842 1.00 0.21 C ATOM 409 CD1 TYR A 28 16.828 5.514 -3.790 1.00 0.25 C ATOM 410 CD2 TYR A 28 15.570 5.358 -1.705 1.00 0.19 C ATOM 411 CE1 TYR A 28 16.964 6.901 -3.603 1.00 0.26 C ATOM 412 CE2 TYR A 28 15.707 6.745 -1.517 1.00 0.22 C ATOM 413 CZ TYR A 28 16.404 7.518 -2.465 1.00 0.25 C ATOM 414 OH TYR A 28 16.539 8.880 -2.282 1.00 0.28 O ATOM 0 H TYR A 28 15.859 4.076 -5.971 1.00 0.26 H new ATOM 0 HA TYR A 28 14.903 1.877 -4.286 1.00 0.23 H new ATOM 0 HB2 TYR A 28 15.495 2.805 -2.169 1.00 0.19 H new ATOM 0 HB3 TYR A 28 16.978 2.787 -3.104 1.00 0.19 H new ATOM 0 HD1 TYR A 28 17.259 5.042 -4.661 1.00 0.25 H new ATOM 0 HD2 TYR A 28 15.035 4.765 -0.978 1.00 0.19 H new ATOM 0 HE1 TYR A 28 17.497 7.494 -4.331 1.00 0.26 H new ATOM 0 HE2 TYR A 28 15.278 7.217 -0.646 1.00 0.22 H new ATOM 0 HH TYR A 28 16.094 9.144 -1.449 1.00 0.28 H new ATOM 424 N TYR A 29 13.148 3.706 -3.314 1.00 0.23 N ATOM 425 CA TYR A 29 11.883 4.474 -3.259 1.00 0.25 C ATOM 426 C TYR A 29 11.434 4.547 -1.795 1.00 0.22 C ATOM 427 O TYR A 29 11.598 3.606 -1.052 1.00 0.23 O ATOM 428 CB TYR A 29 10.844 3.739 -4.122 1.00 0.29 C ATOM 429 CG TYR A 29 9.442 4.167 -3.756 1.00 0.31 C ATOM 430 CD1 TYR A 29 9.058 5.508 -3.916 1.00 0.36 C ATOM 431 CD2 TYR A 29 8.524 3.224 -3.251 1.00 0.35 C ATOM 432 CE1 TYR A 29 7.753 5.913 -3.573 1.00 0.39 C ATOM 433 CE2 TYR A 29 7.220 3.627 -2.908 1.00 0.38 C ATOM 434 CZ TYR A 29 6.834 4.972 -3.069 1.00 0.36 C ATOM 435 OH TYR A 29 5.556 5.369 -2.732 1.00 0.39 O ATOM 0 H TYR A 29 13.340 3.137 -2.490 1.00 0.23 H new ATOM 0 HA TYR A 29 12.005 5.488 -3.640 1.00 0.25 H new ATOM 0 HB2 TYR A 29 11.029 3.946 -5.176 1.00 0.29 H new ATOM 0 HB3 TYR A 29 10.948 2.663 -3.986 1.00 0.29 H new ATOM 0 HD1 TYR A 29 9.763 6.229 -4.302 1.00 0.36 H new ATOM 0 HD2 TYR A 29 8.821 2.193 -3.127 1.00 0.35 H new ATOM 0 HE1 TYR A 29 7.457 6.944 -3.696 1.00 0.39 H new ATOM 0 HE2 TYR A 29 6.516 2.905 -2.522 1.00 0.38 H new ATOM 0 HH TYR A 29 5.050 4.597 -2.401 1.00 0.39 H new ATOM 445 N GLU A 30 10.873 5.647 -1.369 1.00 0.22 N ATOM 446 CA GLU A 30 10.419 5.755 0.054 1.00 0.20 C ATOM 447 C GLU A 30 8.915 5.469 0.124 1.00 0.21 C ATOM 448 O GLU A 30 8.196 5.638 -0.841 1.00 0.24 O ATOM 449 CB GLU A 30 10.702 7.166 0.574 1.00 0.22 C ATOM 450 CG GLU A 30 12.190 7.304 0.908 1.00 0.25 C ATOM 451 CD GLU A 30 12.519 8.773 1.179 1.00 0.69 C ATOM 452 OE1 GLU A 30 11.601 9.576 1.171 1.00 1.35 O ATOM 453 OE2 GLU A 30 13.683 9.070 1.391 1.00 1.43 O ATOM 0 H GLU A 30 10.708 6.475 -1.941 1.00 0.22 H new ATOM 0 HA GLU A 30 10.956 5.033 0.669 1.00 0.20 H new ATOM 0 HB2 GLU A 30 10.418 7.904 -0.176 1.00 0.22 H new ATOM 0 HB3 GLU A 30 10.100 7.365 1.461 1.00 0.22 H new ATOM 0 HG2 GLU A 30 12.435 6.699 1.781 1.00 0.25 H new ATOM 0 HG3 GLU A 30 12.795 6.931 0.081 1.00 0.25 H new ATOM 460 N THR A 31 8.437 5.028 1.256 1.00 0.19 N ATOM 461 CA THR A 31 6.981 4.720 1.388 1.00 0.21 C ATOM 462 C THR A 31 6.170 6.015 1.427 1.00 0.25 C ATOM 463 O THR A 31 6.668 7.087 1.146 1.00 0.27 O ATOM 464 CB THR A 31 6.747 3.943 2.685 1.00 0.20 C ATOM 465 OG1 THR A 31 7.468 4.567 3.729 1.00 0.21 O ATOM 466 CG2 THR A 31 7.226 2.501 2.507 1.00 0.20 C ATOM 0 H THR A 31 8.991 4.867 2.097 1.00 0.19 H new ATOM 0 HA THR A 31 6.664 4.125 0.532 1.00 0.21 H new ATOM 0 HB THR A 31 5.685 3.936 2.931 1.00 0.20 H new ATOM 0 HG1 THR A 31 7.553 5.525 3.541 1.00 0.21 H new ATOM 0 HG21 THR A 31 7.060 1.946 3.430 1.00 0.20 H new ATOM 0 HG22 THR A 31 6.670 2.031 1.696 1.00 0.20 H new ATOM 0 HG23 THR A 31 8.289 2.498 2.268 1.00 0.20 H new ATOM 474 N SER A 32 4.918 5.914 1.780 1.00 0.27 N ATOM 475 CA SER A 32 4.054 7.123 1.848 1.00 0.31 C ATOM 476 C SER A 32 4.255 7.818 3.196 1.00 0.33 C ATOM 477 O SER A 32 5.258 7.633 3.858 1.00 0.33 O ATOM 478 CB SER A 32 2.591 6.701 1.707 1.00 0.33 C ATOM 479 OG SER A 32 2.396 6.100 0.433 1.00 1.27 O ATOM 0 H SER A 32 4.455 5.039 2.026 1.00 0.27 H new ATOM 0 HA SER A 32 4.319 7.810 1.044 1.00 0.31 H new ATOM 0 HB2 SER A 32 2.325 5.999 2.497 1.00 0.33 H new ATOM 0 HB3 SER A 32 1.938 7.567 1.817 1.00 0.33 H new ATOM 0 HG SER A 32 1.621 6.508 -0.006 1.00 1.27 H new ATOM 485 N SER A 33 3.303 8.614 3.606 1.00 0.36 N ATOM 486 CA SER A 33 3.408 9.336 4.913 1.00 0.40 C ATOM 487 C SER A 33 2.120 9.107 5.696 1.00 0.40 C ATOM 488 O SER A 33 2.118 9.025 6.908 1.00 0.42 O ATOM 489 CB SER A 33 3.563 10.828 4.644 1.00 0.46 C ATOM 490 OG SER A 33 2.284 11.393 4.385 1.00 0.48 O ATOM 0 H SER A 33 2.445 8.798 3.086 1.00 0.36 H new ATOM 0 HA SER A 33 4.265 8.971 5.478 1.00 0.40 H new ATOM 0 HB2 SER A 33 4.023 11.318 5.502 1.00 0.46 H new ATOM 0 HB3 SER A 33 4.224 10.989 3.792 1.00 0.46 H new ATOM 0 HG SER A 33 2.379 12.353 4.213 1.00 0.48 H new ATOM 496 N LEU A 34 1.026 9.010 4.992 1.00 0.39 N ATOM 497 CA LEU A 34 -0.298 8.789 5.645 1.00 0.39 C ATOM 498 C LEU A 34 -0.159 7.795 6.800 1.00 0.37 C ATOM 499 O LEU A 34 -0.494 8.086 7.931 1.00 0.40 O ATOM 500 CB LEU A 34 -1.282 8.221 4.618 1.00 0.36 C ATOM 501 CG LEU A 34 -1.130 8.950 3.282 1.00 0.39 C ATOM 502 CD1 LEU A 34 -2.243 8.502 2.328 1.00 0.40 C ATOM 503 CD2 LEU A 34 -1.222 10.463 3.507 1.00 0.45 C ATOM 0 H LEU A 34 0.992 9.076 3.975 1.00 0.39 H new ATOM 0 HA LEU A 34 -0.664 9.741 6.030 1.00 0.39 H new ATOM 0 HB2 LEU A 34 -1.101 7.155 4.481 1.00 0.36 H new ATOM 0 HB3 LEU A 34 -2.303 8.327 4.984 1.00 0.36 H new ATOM 0 HG LEU A 34 -0.160 8.711 2.846 1.00 0.39 H new ATOM 0 HD11 LEU A 34 -2.136 9.021 1.375 1.00 0.40 H new ATOM 0 HD12 LEU A 34 -2.172 7.426 2.166 1.00 0.40 H new ATOM 0 HD13 LEU A 34 -3.213 8.740 2.764 1.00 0.40 H new ATOM 0 HD21 LEU A 34 -1.113 10.980 2.554 1.00 0.45 H new ATOM 0 HD22 LEU A 34 -2.190 10.708 3.944 1.00 0.45 H new ATOM 0 HD23 LEU A 34 -0.428 10.779 4.184 1.00 0.45 H new ATOM 515 N CYS A 35 0.335 6.623 6.517 1.00 0.33 N ATOM 516 CA CYS A 35 0.497 5.608 7.594 1.00 0.34 C ATOM 517 C CYS A 35 1.632 6.040 8.529 1.00 0.39 C ATOM 518 O CYS A 35 2.708 6.389 8.098 1.00 0.38 O ATOM 519 CB CYS A 35 0.811 4.243 6.969 1.00 0.32 C ATOM 520 SG CYS A 35 1.941 4.450 5.570 1.00 0.39 S ATOM 0 H CYS A 35 0.633 6.324 5.588 1.00 0.33 H new ATOM 0 HA CYS A 35 -0.426 5.527 8.169 1.00 0.34 H new ATOM 0 HB2 CYS A 35 1.259 3.586 7.715 1.00 0.32 H new ATOM 0 HB3 CYS A 35 -0.110 3.765 6.636 1.00 0.32 H new ATOM 525 N SER A 36 1.382 6.045 9.808 1.00 0.44 N ATOM 526 CA SER A 36 2.428 6.471 10.786 1.00 0.51 C ATOM 527 C SER A 36 3.609 5.487 10.812 1.00 0.51 C ATOM 528 O SER A 36 4.230 5.301 11.840 1.00 0.58 O ATOM 529 CB SER A 36 1.808 6.543 12.181 1.00 0.59 C ATOM 530 OG SER A 36 1.435 5.235 12.598 1.00 1.41 O ATOM 0 H SER A 36 0.492 5.771 10.223 1.00 0.44 H new ATOM 0 HA SER A 36 2.803 7.447 10.480 1.00 0.51 H new ATOM 0 HB2 SER A 36 2.520 6.973 12.886 1.00 0.59 H new ATOM 0 HB3 SER A 36 0.936 7.196 12.170 1.00 0.59 H new ATOM 0 HG SER A 36 1.039 5.278 13.493 1.00 1.41 H new ATOM 536 N GLN A 37 3.939 4.849 9.715 1.00 0.45 N ATOM 537 CA GLN A 37 5.090 3.889 9.749 1.00 0.47 C ATOM 538 C GLN A 37 5.718 3.733 8.356 1.00 0.36 C ATOM 539 O GLN A 37 5.660 2.665 7.785 1.00 0.35 O ATOM 540 CB GLN A 37 4.590 2.525 10.234 1.00 0.55 C ATOM 541 CG GLN A 37 3.295 2.163 9.502 1.00 0.78 C ATOM 542 CD GLN A 37 2.938 0.703 9.789 1.00 0.79 C ATOM 543 OE1 GLN A 37 3.725 -0.187 9.539 1.00 1.24 O ATOM 544 NE2 GLN A 37 1.774 0.419 10.307 1.00 1.47 N ATOM 0 H GLN A 37 3.472 4.947 8.813 1.00 0.45 H new ATOM 0 HA GLN A 37 5.849 4.279 10.428 1.00 0.47 H new ATOM 0 HB2 GLN A 37 5.348 1.763 10.052 1.00 0.55 H new ATOM 0 HB3 GLN A 37 4.416 2.551 11.310 1.00 0.55 H new ATOM 0 HG2 GLN A 37 2.486 2.817 9.827 1.00 0.78 H new ATOM 0 HG3 GLN A 37 3.416 2.315 8.429 1.00 0.78 H new ATOM 0 HE21 GLN A 37 1.113 1.167 10.517 1.00 1.47 H new ATOM 0 HE22 GLN A 37 1.525 -0.551 10.502 1.00 1.47 H new ATOM 553 N PRO A 38 6.325 4.787 7.854 1.00 0.34 N ATOM 554 CA PRO A 38 6.987 4.743 6.534 1.00 0.26 C ATOM 555 C PRO A 38 8.237 3.853 6.626 1.00 0.25 C ATOM 556 O PRO A 38 8.531 3.272 7.652 1.00 0.27 O ATOM 557 CB PRO A 38 7.371 6.211 6.236 1.00 0.33 C ATOM 558 CG PRO A 38 7.091 7.036 7.528 1.00 0.43 C ATOM 559 CD PRO A 38 6.396 6.097 8.540 1.00 0.43 C ATOM 0 HA PRO A 38 6.354 4.330 5.749 1.00 0.26 H new ATOM 0 HB2 PRO A 38 8.421 6.284 5.954 1.00 0.33 H new ATOM 0 HB3 PRO A 38 6.789 6.598 5.400 1.00 0.33 H new ATOM 0 HG2 PRO A 38 8.021 7.425 7.943 1.00 0.43 H new ATOM 0 HG3 PRO A 38 6.458 7.894 7.305 1.00 0.43 H new ATOM 0 HD2 PRO A 38 6.963 6.027 9.468 1.00 0.43 H new ATOM 0 HD3 PRO A 38 5.402 6.462 8.800 1.00 0.43 H new ATOM 567 N ALA A 39 8.966 3.755 5.555 1.00 0.23 N ATOM 568 CA ALA A 39 10.197 2.928 5.538 1.00 0.22 C ATOM 569 C ALA A 39 10.903 3.183 4.211 1.00 0.19 C ATOM 570 O ALA A 39 10.357 3.823 3.334 1.00 0.22 O ATOM 571 CB ALA A 39 9.827 1.446 5.647 1.00 0.23 C ATOM 0 H ALA A 39 8.756 4.223 4.673 1.00 0.23 H new ATOM 0 HA ALA A 39 10.844 3.186 6.376 1.00 0.22 H new ATOM 0 HB1 ALA A 39 10.735 0.842 5.634 1.00 0.23 H new ATOM 0 HB2 ALA A 39 9.289 1.273 6.579 1.00 0.23 H new ATOM 0 HB3 ALA A 39 9.193 1.166 4.805 1.00 0.23 H new ATOM 577 N VAL A 40 12.091 2.674 4.030 1.00 0.15 N ATOM 578 CA VAL A 40 12.794 2.879 2.727 1.00 0.13 C ATOM 579 C VAL A 40 12.564 1.631 1.880 1.00 0.13 C ATOM 580 O VAL A 40 12.514 0.528 2.387 1.00 0.18 O ATOM 581 CB VAL A 40 14.296 3.091 2.963 1.00 0.12 C ATOM 582 CG1 VAL A 40 15.062 2.901 1.648 1.00 0.12 C ATOM 583 CG2 VAL A 40 14.527 4.515 3.467 1.00 0.16 C ATOM 0 H VAL A 40 12.604 2.128 4.722 1.00 0.15 H new ATOM 0 HA VAL A 40 12.408 3.762 2.218 1.00 0.13 H new ATOM 0 HB VAL A 40 14.650 2.368 3.698 1.00 0.12 H new ATOM 0 HG11 VAL A 40 16.127 3.053 1.822 1.00 0.12 H new ATOM 0 HG12 VAL A 40 14.896 1.891 1.273 1.00 0.12 H new ATOM 0 HG13 VAL A 40 14.708 3.624 0.913 1.00 0.12 H new ATOM 0 HG21 VAL A 40 15.592 4.673 3.637 1.00 0.16 H new ATOM 0 HG22 VAL A 40 14.169 5.227 2.723 1.00 0.16 H new ATOM 0 HG23 VAL A 40 13.985 4.663 4.401 1.00 0.16 H new ATOM 593 N VAL A 41 12.405 1.807 0.598 1.00 0.15 N ATOM 594 CA VAL A 41 12.152 0.646 -0.313 1.00 0.16 C ATOM 595 C VAL A 41 13.262 0.576 -1.364 1.00 0.16 C ATOM 596 O VAL A 41 13.441 1.479 -2.149 1.00 0.18 O ATOM 597 CB VAL A 41 10.791 0.847 -0.987 1.00 0.21 C ATOM 598 CG1 VAL A 41 10.257 -0.483 -1.513 1.00 0.25 C ATOM 599 CG2 VAL A 41 9.806 1.410 0.040 1.00 0.23 C ATOM 0 H VAL A 41 12.439 2.715 0.134 1.00 0.15 H new ATOM 0 HA VAL A 41 12.146 -0.288 0.249 1.00 0.16 H new ATOM 0 HB VAL A 41 10.905 1.538 -1.822 1.00 0.21 H new ATOM 0 HG11 VAL A 41 9.289 -0.324 -1.989 1.00 0.25 H new ATOM 0 HG12 VAL A 41 10.957 -0.894 -2.241 1.00 0.25 H new ATOM 0 HG13 VAL A 41 10.143 -1.182 -0.685 1.00 0.25 H new ATOM 0 HG21 VAL A 41 8.834 1.557 -0.431 1.00 0.23 H new ATOM 0 HG22 VAL A 41 9.706 0.710 0.870 1.00 0.23 H new ATOM 0 HG23 VAL A 41 10.176 2.365 0.414 1.00 0.23 H new ATOM 609 N PHE A 42 14.025 -0.485 -1.375 1.00 0.15 N ATOM 610 CA PHE A 42 15.140 -0.592 -2.365 1.00 0.17 C ATOM 611 C PHE A 42 14.666 -1.278 -3.646 1.00 0.21 C ATOM 612 O PHE A 42 13.969 -2.274 -3.616 1.00 0.23 O ATOM 613 CB PHE A 42 16.278 -1.415 -1.756 1.00 0.16 C ATOM 614 CG PHE A 42 17.000 -0.588 -0.719 1.00 0.14 C ATOM 615 CD1 PHE A 42 17.728 0.550 -1.113 1.00 0.14 C ATOM 616 CD2 PHE A 42 16.948 -0.955 0.638 1.00 0.13 C ATOM 617 CE1 PHE A 42 18.406 1.320 -0.151 1.00 0.14 C ATOM 618 CE2 PHE A 42 17.625 -0.186 1.600 1.00 0.14 C ATOM 619 CZ PHE A 42 18.356 0.953 1.206 1.00 0.14 C ATOM 0 H PHE A 42 13.926 -1.280 -0.744 1.00 0.15 H new ATOM 0 HA PHE A 42 15.483 0.413 -2.609 1.00 0.17 H new ATOM 0 HB2 PHE A 42 15.881 -2.322 -1.301 1.00 0.16 H new ATOM 0 HB3 PHE A 42 16.973 -1.727 -2.536 1.00 0.16 H new ATOM 0 HD1 PHE A 42 17.766 0.832 -2.155 1.00 0.14 H new ATOM 0 HD2 PHE A 42 16.388 -1.827 0.940 1.00 0.13 H new ATOM 0 HE1 PHE A 42 18.965 2.193 -0.454 1.00 0.14 H new ATOM 0 HE2 PHE A 42 17.585 -0.468 2.642 1.00 0.14 H new ATOM 0 HZ PHE A 42 18.877 1.543 1.945 1.00 0.14 H new ATOM 629 N GLN A 43 15.078 -0.763 -4.776 1.00 0.24 N ATOM 630 CA GLN A 43 14.705 -1.380 -6.081 1.00 0.28 C ATOM 631 C GLN A 43 15.895 -2.232 -6.532 1.00 0.30 C ATOM 632 O GLN A 43 17.000 -1.731 -6.662 1.00 0.30 O ATOM 633 CB GLN A 43 14.432 -0.269 -7.096 1.00 0.32 C ATOM 634 CG GLN A 43 13.201 0.532 -6.662 1.00 0.32 C ATOM 635 CD GLN A 43 13.070 1.777 -7.540 1.00 0.58 C ATOM 636 OE1 GLN A 43 13.231 1.707 -8.742 1.00 1.29 O ATOM 637 NE2 GLN A 43 12.783 2.924 -6.987 1.00 1.31 N ATOM 0 H GLN A 43 15.664 0.069 -4.849 1.00 0.24 H new ATOM 0 HA GLN A 43 13.810 -1.996 -5.994 1.00 0.28 H new ATOM 0 HB2 GLN A 43 15.298 0.389 -7.172 1.00 0.32 H new ATOM 0 HB3 GLN A 43 14.269 -0.698 -8.085 1.00 0.32 H new ATOM 0 HG2 GLN A 43 12.305 -0.083 -6.747 1.00 0.32 H new ATOM 0 HG3 GLN A 43 13.291 0.820 -5.615 1.00 0.32 H new ATOM 0 HE21 GLN A 43 12.648 2.984 -5.978 1.00 1.31 H new ATOM 0 HE22 GLN A 43 12.694 3.760 -7.564 1.00 1.31 H new ATOM 646 N THR A 44 15.710 -3.523 -6.722 1.00 0.32 N ATOM 647 CA THR A 44 16.882 -4.391 -7.102 1.00 0.34 C ATOM 648 C THR A 44 16.959 -4.623 -8.611 1.00 0.39 C ATOM 649 O THR A 44 16.393 -3.896 -9.404 1.00 0.41 O ATOM 650 CB THR A 44 16.761 -5.747 -6.409 1.00 0.34 C ATOM 651 OG1 THR A 44 15.882 -6.573 -7.154 1.00 0.38 O ATOM 652 CG2 THR A 44 16.209 -5.553 -4.995 1.00 0.29 C ATOM 0 H THR A 44 14.816 -4.007 -6.633 1.00 0.32 H new ATOM 0 HA THR A 44 17.787 -3.871 -6.786 1.00 0.34 H new ATOM 0 HB THR A 44 17.743 -6.217 -6.349 1.00 0.34 H new ATOM 0 HG1 THR A 44 15.004 -6.593 -6.719 1.00 0.38 H new ATOM 0 HG21 THR A 44 16.123 -6.521 -4.502 1.00 0.29 H new ATOM 0 HG22 THR A 44 16.884 -4.914 -4.425 1.00 0.29 H new ATOM 0 HG23 THR A 44 15.226 -5.085 -5.049 1.00 0.29 H new ATOM 660 N LYS A 45 17.688 -5.644 -9.000 1.00 0.43 N ATOM 661 CA LYS A 45 17.861 -5.973 -10.448 1.00 0.48 C ATOM 662 C LYS A 45 17.059 -7.232 -10.799 1.00 0.51 C ATOM 663 O LYS A 45 16.752 -7.471 -11.950 1.00 0.56 O ATOM 664 CB LYS A 45 19.346 -6.242 -10.725 1.00 0.50 C ATOM 665 CG LYS A 45 20.210 -5.165 -10.064 1.00 0.46 C ATOM 666 CD LYS A 45 21.688 -5.472 -10.326 1.00 0.49 C ATOM 667 CE LYS A 45 22.543 -4.254 -9.969 1.00 0.54 C ATOM 668 NZ LYS A 45 23.963 -4.676 -9.807 1.00 1.55 N ATOM 0 H LYS A 45 18.177 -6.272 -8.362 1.00 0.43 H new ATOM 0 HA LYS A 45 17.506 -5.137 -11.050 1.00 0.48 H new ATOM 0 HB2 LYS A 45 19.622 -7.225 -10.344 1.00 0.50 H new ATOM 0 HB3 LYS A 45 19.527 -6.255 -11.800 1.00 0.50 H new ATOM 0 HG2 LYS A 45 19.955 -4.183 -10.461 1.00 0.46 H new ATOM 0 HG3 LYS A 45 20.017 -5.135 -8.992 1.00 0.46 H new ATOM 0 HD2 LYS A 45 22.000 -6.333 -9.734 1.00 0.49 H new ATOM 0 HD3 LYS A 45 21.834 -5.735 -11.374 1.00 0.49 H new ATOM 0 HE2 LYS A 45 22.464 -3.499 -10.751 1.00 0.54 H new ATOM 0 HE3 LYS A 45 22.180 -3.799 -9.048 1.00 0.54 H new ATOM 0 HZ1 LYS A 45 24.480 -3.954 -9.265 1.00 1.55 H new ATOM 0 HZ2 LYS A 45 24.000 -5.583 -9.299 1.00 1.55 H new ATOM 0 HZ3 LYS A 45 24.402 -4.786 -10.744 1.00 1.55 H new ATOM 682 N ARG A 46 16.724 -8.043 -9.820 1.00 0.50 N ATOM 683 CA ARG A 46 15.944 -9.297 -10.098 1.00 0.54 C ATOM 684 C ARG A 46 14.787 -9.389 -9.104 1.00 0.49 C ATOM 685 O ARG A 46 14.591 -10.382 -8.437 1.00 0.48 O ATOM 686 CB ARG A 46 16.874 -10.520 -9.959 1.00 0.59 C ATOM 687 CG ARG A 46 16.134 -11.869 -10.168 1.00 0.72 C ATOM 688 CD ARG A 46 15.028 -11.765 -11.228 1.00 0.92 C ATOM 689 NE ARG A 46 15.590 -11.192 -12.484 1.00 1.48 N ATOM 690 CZ ARG A 46 14.920 -11.282 -13.600 1.00 2.13 C ATOM 691 NH1 ARG A 46 13.756 -11.873 -13.617 1.00 2.62 N ATOM 692 NH2 ARG A 46 15.413 -10.782 -14.700 1.00 2.82 N ATOM 0 H ARG A 46 16.957 -7.891 -8.839 1.00 0.50 H new ATOM 0 HA ARG A 46 15.544 -9.277 -11.112 1.00 0.54 H new ATOM 0 HB2 ARG A 46 17.683 -10.439 -10.685 1.00 0.59 H new ATOM 0 HB3 ARG A 46 17.331 -10.512 -8.970 1.00 0.59 H new ATOM 0 HG2 ARG A 46 16.852 -12.633 -10.468 1.00 0.72 H new ATOM 0 HG3 ARG A 46 15.700 -12.194 -9.222 1.00 0.72 H new ATOM 0 HD2 ARG A 46 14.604 -12.750 -11.424 1.00 0.92 H new ATOM 0 HD3 ARG A 46 14.217 -11.136 -10.861 1.00 0.92 H new ATOM 0 HE ARG A 46 16.499 -10.729 -12.471 1.00 1.48 H new ATOM 0 HH11 ARG A 46 13.370 -12.264 -12.758 1.00 2.62 H new ATOM 0 HH12 ARG A 46 13.232 -11.943 -14.490 1.00 2.62 H new ATOM 0 HH21 ARG A 46 16.323 -10.321 -14.688 1.00 2.82 H new ATOM 0 HH22 ARG A 46 14.889 -10.853 -15.572 1.00 2.82 H new ATOM 706 N SER A 47 14.004 -8.362 -9.021 1.00 0.46 N ATOM 707 CA SER A 47 12.847 -8.386 -8.107 1.00 0.42 C ATOM 708 C SER A 47 11.967 -7.191 -8.441 1.00 0.42 C ATOM 709 O SER A 47 11.522 -7.027 -9.559 1.00 0.46 O ATOM 710 CB SER A 47 13.317 -8.320 -6.648 1.00 0.38 C ATOM 711 OG SER A 47 13.763 -7.006 -6.346 1.00 1.07 O ATOM 0 H SER A 47 14.118 -7.499 -9.553 1.00 0.46 H new ATOM 0 HA SER A 47 12.285 -9.312 -8.229 1.00 0.42 H new ATOM 0 HB2 SER A 47 12.502 -8.600 -5.981 1.00 0.38 H new ATOM 0 HB3 SER A 47 14.123 -9.035 -6.483 1.00 0.38 H new ATOM 0 HG SER A 47 13.910 -6.924 -5.381 1.00 1.07 H new ATOM 717 N LYS A 48 11.734 -6.350 -7.493 1.00 0.38 N ATOM 718 CA LYS A 48 10.904 -5.149 -7.737 1.00 0.40 C ATOM 719 C LYS A 48 11.228 -4.143 -6.648 1.00 0.35 C ATOM 720 O LYS A 48 12.175 -3.387 -6.742 1.00 0.34 O ATOM 721 CB LYS A 48 9.413 -5.512 -7.667 1.00 0.44 C ATOM 722 CG LYS A 48 9.016 -6.351 -8.887 1.00 1.11 C ATOM 723 CD LYS A 48 7.491 -6.349 -9.039 1.00 1.38 C ATOM 724 CE LYS A 48 7.096 -7.141 -10.291 1.00 2.13 C ATOM 725 NZ LYS A 48 5.708 -6.776 -10.691 1.00 2.73 N ATOM 0 H LYS A 48 12.088 -6.441 -6.541 1.00 0.38 H new ATOM 0 HA LYS A 48 11.113 -4.739 -8.725 1.00 0.40 H new ATOM 0 HB2 LYS A 48 9.209 -6.068 -6.752 1.00 0.44 H new ATOM 0 HB3 LYS A 48 8.811 -4.604 -7.629 1.00 0.44 H new ATOM 0 HG2 LYS A 48 9.482 -5.947 -9.786 1.00 1.11 H new ATOM 0 HG3 LYS A 48 9.379 -7.372 -8.772 1.00 1.11 H new ATOM 0 HD2 LYS A 48 7.027 -6.790 -8.157 1.00 1.38 H new ATOM 0 HD3 LYS A 48 7.125 -5.325 -9.114 1.00 1.38 H new ATOM 0 HE2 LYS A 48 7.789 -6.926 -11.104 1.00 2.13 H new ATOM 0 HE3 LYS A 48 7.160 -8.211 -10.093 1.00 2.13 H new ATOM 0 HZ1 LYS A 48 5.439 -7.313 -11.540 1.00 2.73 H new ATOM 0 HZ2 LYS A 48 5.052 -7.003 -9.916 1.00 2.73 H new ATOM 0 HZ3 LYS A 48 5.662 -5.757 -10.896 1.00 2.73 H new ATOM 739 N GLN A 49 10.446 -4.156 -5.602 1.00 0.33 N ATOM 740 CA GLN A 49 10.664 -3.229 -4.457 1.00 0.30 C ATOM 741 C GLN A 49 10.870 -4.064 -3.183 1.00 0.25 C ATOM 742 O GLN A 49 10.279 -5.115 -3.011 1.00 0.26 O ATOM 743 CB GLN A 49 9.412 -2.340 -4.316 1.00 0.35 C ATOM 744 CG GLN A 49 9.615 -1.010 -5.054 1.00 0.82 C ATOM 745 CD GLN A 49 8.314 -0.205 -5.023 1.00 0.89 C ATOM 746 OE1 GLN A 49 7.251 -0.755 -4.811 1.00 1.53 O ATOM 747 NE2 GLN A 49 8.353 1.083 -5.226 1.00 1.52 N ATOM 0 H GLN A 49 9.649 -4.784 -5.492 1.00 0.33 H new ATOM 0 HA GLN A 49 11.541 -2.602 -4.618 1.00 0.30 H new ATOM 0 HB2 GLN A 49 8.543 -2.858 -4.720 1.00 0.35 H new ATOM 0 HB3 GLN A 49 9.209 -2.151 -3.262 1.00 0.35 H new ATOM 0 HG2 GLN A 49 10.418 -0.441 -4.586 1.00 0.82 H new ATOM 0 HG3 GLN A 49 9.915 -1.196 -6.085 1.00 0.82 H new ATOM 0 HE21 GLN A 49 9.245 1.544 -5.404 1.00 1.52 H new ATOM 0 HE22 GLN A 49 7.491 1.629 -5.207 1.00 1.52 H new ATOM 756 N VAL A 50 11.703 -3.599 -2.287 1.00 0.23 N ATOM 757 CA VAL A 50 11.953 -4.348 -1.015 1.00 0.19 C ATOM 758 C VAL A 50 11.982 -3.361 0.142 1.00 0.16 C ATOM 759 O VAL A 50 12.783 -2.453 0.170 1.00 0.15 O ATOM 760 CB VAL A 50 13.297 -5.077 -1.098 1.00 0.22 C ATOM 761 CG1 VAL A 50 13.403 -6.075 0.058 1.00 0.24 C ATOM 762 CG2 VAL A 50 13.390 -5.814 -2.439 1.00 0.31 C ATOM 0 H VAL A 50 12.224 -2.727 -2.381 1.00 0.23 H new ATOM 0 HA VAL A 50 11.160 -5.079 -0.859 1.00 0.19 H new ATOM 0 HB VAL A 50 14.114 -4.359 -1.026 1.00 0.22 H new ATOM 0 HG11 VAL A 50 14.359 -6.596 0.002 1.00 0.24 H new ATOM 0 HG12 VAL A 50 13.335 -5.542 1.006 1.00 0.24 H new ATOM 0 HG13 VAL A 50 12.591 -6.799 -0.010 1.00 0.24 H new ATOM 0 HG21 VAL A 50 14.346 -6.335 -2.503 1.00 0.31 H new ATOM 0 HG22 VAL A 50 12.577 -6.537 -2.514 1.00 0.31 H new ATOM 0 HG23 VAL A 50 13.313 -5.096 -3.255 1.00 0.31 H new ATOM 772 N CYS A 51 11.115 -3.533 1.098 1.00 0.16 N ATOM 773 CA CYS A 51 11.083 -2.596 2.250 1.00 0.15 C ATOM 774 C CYS A 51 12.299 -2.843 3.137 1.00 0.14 C ATOM 775 O CYS A 51 12.825 -3.937 3.199 1.00 0.16 O ATOM 776 CB CYS A 51 9.807 -2.835 3.055 1.00 0.17 C ATOM 777 SG CYS A 51 8.365 -2.479 2.020 1.00 0.21 S ATOM 0 H CYS A 51 10.426 -4.284 1.130 1.00 0.16 H new ATOM 0 HA CYS A 51 11.101 -1.568 1.889 1.00 0.15 H new ATOM 0 HB2 CYS A 51 9.772 -3.867 3.403 1.00 0.17 H new ATOM 0 HB3 CYS A 51 9.798 -2.199 3.940 1.00 0.17 H new ATOM 782 N ALA A 52 12.761 -1.827 3.819 1.00 0.12 N ATOM 783 CA ALA A 52 13.957 -1.990 4.697 1.00 0.13 C ATOM 784 C ALA A 52 13.790 -1.139 5.957 1.00 0.15 C ATOM 785 O ALA A 52 13.371 0.003 5.900 1.00 0.15 O ATOM 786 CB ALA A 52 15.202 -1.528 3.937 1.00 0.11 C ATOM 0 H ALA A 52 12.360 -0.889 3.805 1.00 0.12 H new ATOM 0 HA ALA A 52 14.062 -3.037 4.980 1.00 0.13 H new ATOM 0 HB1 ALA A 52 16.080 -1.644 4.572 1.00 0.11 H new ATOM 0 HB2 ALA A 52 15.323 -2.130 3.037 1.00 0.11 H new ATOM 0 HB3 ALA A 52 15.091 -0.480 3.660 1.00 0.11 H new ATOM 792 N ASP A 53 14.115 -1.689 7.096 1.00 0.18 N ATOM 793 CA ASP A 53 13.980 -0.920 8.368 1.00 0.22 C ATOM 794 C ASP A 53 15.013 0.234 8.383 1.00 0.21 C ATOM 795 O ASP A 53 16.197 -0.041 8.349 1.00 0.22 O ATOM 796 CB ASP A 53 14.270 -1.855 9.545 1.00 0.27 C ATOM 797 CG ASP A 53 13.402 -3.109 9.432 1.00 1.35 C ATOM 798 OD1 ASP A 53 13.610 -3.867 8.499 1.00 2.10 O ATOM 799 OD2 ASP A 53 12.547 -3.291 10.282 1.00 2.17 O ATOM 0 H ASP A 53 14.469 -2.640 7.201 1.00 0.18 H new ATOM 0 HA ASP A 53 12.971 -0.514 8.447 1.00 0.22 H new ATOM 0 HB2 ASP A 53 15.325 -2.130 9.552 1.00 0.27 H new ATOM 0 HB3 ASP A 53 14.067 -1.344 10.486 1.00 0.27 H new ATOM 804 N PRO A 54 14.580 1.490 8.433 1.00 0.22 N ATOM 805 CA PRO A 54 15.540 2.617 8.451 1.00 0.24 C ATOM 806 C PRO A 54 16.453 2.527 9.685 1.00 0.28 C ATOM 807 O PRO A 54 17.387 3.290 9.834 1.00 0.30 O ATOM 808 CB PRO A 54 14.665 3.891 8.504 1.00 0.27 C ATOM 809 CG PRO A 54 13.175 3.441 8.516 1.00 0.27 C ATOM 810 CD PRO A 54 13.153 1.897 8.472 1.00 0.24 C ATOM 0 HA PRO A 54 16.195 2.613 7.580 1.00 0.24 H new ATOM 0 HB2 PRO A 54 14.895 4.476 9.394 1.00 0.27 H new ATOM 0 HB3 PRO A 54 14.865 4.529 7.643 1.00 0.27 H new ATOM 0 HG2 PRO A 54 12.672 3.806 9.412 1.00 0.27 H new ATOM 0 HG3 PRO A 54 12.643 3.856 7.660 1.00 0.27 H new ATOM 0 HD2 PRO A 54 12.649 1.485 9.347 1.00 0.24 H new ATOM 0 HD3 PRO A 54 12.616 1.535 7.595 1.00 0.24 H new ATOM 818 N SER A 55 16.180 1.616 10.574 1.00 0.31 N ATOM 819 CA SER A 55 17.019 1.497 11.803 1.00 0.36 C ATOM 820 C SER A 55 18.337 0.785 11.483 1.00 0.36 C ATOM 821 O SER A 55 19.294 0.876 12.225 1.00 0.40 O ATOM 822 CB SER A 55 16.256 0.698 12.860 1.00 0.40 C ATOM 823 OG SER A 55 17.124 0.411 13.948 1.00 1.42 O ATOM 0 H SER A 55 15.413 0.947 10.506 1.00 0.31 H new ATOM 0 HA SER A 55 17.240 2.496 12.178 1.00 0.36 H new ATOM 0 HB2 SER A 55 15.393 1.265 13.208 1.00 0.40 H new ATOM 0 HB3 SER A 55 15.876 -0.228 12.429 1.00 0.40 H new ATOM 0 HG SER A 55 16.638 -0.100 14.628 1.00 1.42 H new ATOM 829 N GLU A 56 18.401 0.075 10.390 1.00 0.33 N ATOM 830 CA GLU A 56 19.667 -0.638 10.039 1.00 0.34 C ATOM 831 C GLU A 56 20.638 0.343 9.369 1.00 0.33 C ATOM 832 O GLU A 56 20.338 0.947 8.359 1.00 0.29 O ATOM 833 CB GLU A 56 19.351 -1.797 9.091 1.00 0.31 C ATOM 834 CG GLU A 56 18.815 -2.989 9.890 1.00 0.35 C ATOM 835 CD GLU A 56 18.236 -4.030 8.929 1.00 1.30 C ATOM 836 OE1 GLU A 56 18.030 -3.691 7.776 1.00 2.01 O ATOM 837 OE2 GLU A 56 18.009 -5.147 9.364 1.00 2.08 O ATOM 0 H GLU A 56 17.636 -0.043 9.726 1.00 0.33 H new ATOM 0 HA GLU A 56 20.130 -1.033 10.943 1.00 0.34 H new ATOM 0 HB2 GLU A 56 18.615 -1.483 8.351 1.00 0.31 H new ATOM 0 HB3 GLU A 56 20.249 -2.087 8.545 1.00 0.31 H new ATOM 0 HG2 GLU A 56 19.615 -3.432 10.483 1.00 0.35 H new ATOM 0 HG3 GLU A 56 18.047 -2.656 10.588 1.00 0.35 H new ATOM 844 N SER A 57 21.796 0.511 9.945 1.00 0.37 N ATOM 845 CA SER A 57 22.805 1.456 9.384 1.00 0.38 C ATOM 846 C SER A 57 23.032 1.223 7.886 1.00 0.35 C ATOM 847 O SER A 57 23.163 2.161 7.125 1.00 0.34 O ATOM 848 CB SER A 57 24.129 1.270 10.125 1.00 0.44 C ATOM 849 OG SER A 57 24.590 -0.061 9.937 1.00 1.37 O ATOM 0 H SER A 57 22.091 0.027 10.793 1.00 0.37 H new ATOM 0 HA SER A 57 22.427 2.470 9.514 1.00 0.38 H new ATOM 0 HB2 SER A 57 24.869 1.979 9.754 1.00 0.44 H new ATOM 0 HB3 SER A 57 23.996 1.474 11.187 1.00 0.44 H new ATOM 0 HG SER A 57 25.440 -0.183 10.410 1.00 1.37 H new ATOM 855 N TRP A 58 23.108 -0.005 7.449 1.00 0.34 N ATOM 856 CA TRP A 58 23.356 -0.250 5.999 1.00 0.32 C ATOM 857 C TRP A 58 22.257 0.410 5.170 1.00 0.27 C ATOM 858 O TRP A 58 22.478 0.838 4.057 1.00 0.27 O ATOM 859 CB TRP A 58 23.450 -1.755 5.721 1.00 0.34 C ATOM 860 CG TRP A 58 22.107 -2.403 5.674 1.00 0.31 C ATOM 861 CD1 TRP A 58 21.604 -3.198 6.644 1.00 0.32 C ATOM 862 CD2 TRP A 58 21.119 -2.385 4.603 1.00 0.27 C ATOM 863 NE1 TRP A 58 20.370 -3.670 6.242 1.00 0.29 N ATOM 864 CE2 TRP A 58 20.018 -3.189 4.999 1.00 0.26 C ATOM 865 CE3 TRP A 58 21.063 -1.750 3.339 1.00 0.27 C ATOM 866 CZ2 TRP A 58 18.900 -3.363 4.172 1.00 0.25 C ATOM 867 CZ3 TRP A 58 19.939 -1.922 2.503 1.00 0.27 C ATOM 868 CH2 TRP A 58 18.860 -2.726 2.921 1.00 0.26 C ATOM 0 H TRP A 58 23.010 -0.841 8.026 1.00 0.34 H new ATOM 0 HA TRP A 58 24.309 0.195 5.713 1.00 0.32 H new ATOM 0 HB2 TRP A 58 23.963 -1.917 4.773 1.00 0.34 H new ATOM 0 HB3 TRP A 58 24.054 -2.229 6.495 1.00 0.34 H new ATOM 0 HD1 TRP A 58 22.088 -3.427 7.582 1.00 0.32 H new ATOM 0 HE1 TRP A 58 19.789 -4.298 6.797 1.00 0.29 H new ATOM 0 HE3 TRP A 58 21.885 -1.130 3.013 1.00 0.27 H new ATOM 0 HZ2 TRP A 58 18.076 -3.982 4.494 1.00 0.25 H new ATOM 0 HZ3 TRP A 58 19.906 -1.436 1.539 1.00 0.27 H new ATOM 0 HH2 TRP A 58 18.001 -2.853 2.279 1.00 0.26 H new ATOM 879 N VAL A 59 21.081 0.530 5.713 1.00 0.24 N ATOM 880 CA VAL A 59 19.988 1.191 4.954 1.00 0.20 C ATOM 881 C VAL A 59 20.315 2.673 4.815 1.00 0.22 C ATOM 882 O VAL A 59 20.253 3.236 3.741 1.00 0.21 O ATOM 883 CB VAL A 59 18.675 1.016 5.713 1.00 0.19 C ATOM 884 CG1 VAL A 59 17.535 1.703 4.956 1.00 0.18 C ATOM 885 CG2 VAL A 59 18.386 -0.478 5.841 1.00 0.19 C ATOM 0 H VAL A 59 20.830 0.201 6.645 1.00 0.24 H new ATOM 0 HA VAL A 59 19.891 0.745 3.964 1.00 0.20 H new ATOM 0 HB VAL A 59 18.755 1.468 6.702 1.00 0.19 H new ATOM 0 HG11 VAL A 59 16.603 1.572 5.505 1.00 0.18 H new ATOM 0 HG12 VAL A 59 17.752 2.767 4.858 1.00 0.18 H new ATOM 0 HG13 VAL A 59 17.437 1.260 3.965 1.00 0.18 H new ATOM 0 HG21 VAL A 59 17.450 -0.623 6.381 1.00 0.19 H new ATOM 0 HG22 VAL A 59 18.303 -0.919 4.848 1.00 0.19 H new ATOM 0 HG23 VAL A 59 19.198 -0.960 6.386 1.00 0.19 H new ATOM 895 N GLN A 60 20.676 3.307 5.891 1.00 0.25 N ATOM 896 CA GLN A 60 21.021 4.754 5.816 1.00 0.28 C ATOM 897 C GLN A 60 22.268 4.937 4.946 1.00 0.30 C ATOM 898 O GLN A 60 22.354 5.854 4.153 1.00 0.31 O ATOM 899 CB GLN A 60 21.296 5.288 7.224 1.00 0.33 C ATOM 900 CG GLN A 60 21.463 6.808 7.171 1.00 1.25 C ATOM 901 CD GLN A 60 21.719 7.343 8.580 1.00 1.65 C ATOM 902 OE1 GLN A 60 20.853 7.283 9.431 1.00 2.33 O ATOM 903 NE2 GLN A 60 22.879 7.870 8.865 1.00 2.14 N ATOM 0 H GLN A 60 20.748 2.889 6.819 1.00 0.25 H new ATOM 0 HA GLN A 60 20.188 5.304 5.377 1.00 0.28 H new ATOM 0 HB2 GLN A 60 20.475 5.025 7.891 1.00 0.33 H new ATOM 0 HB3 GLN A 60 22.196 4.827 7.630 1.00 0.33 H new ATOM 0 HG2 GLN A 60 22.293 7.071 6.515 1.00 1.25 H new ATOM 0 HG3 GLN A 60 20.568 7.268 6.753 1.00 1.25 H new ATOM 0 HE21 GLN A 60 23.606 7.920 8.151 1.00 2.14 H new ATOM 0 HE22 GLN A 60 23.059 8.231 9.802 1.00 2.14 H new ATOM 912 N GLU A 61 23.235 4.074 5.094 1.00 0.31 N ATOM 913 CA GLU A 61 24.480 4.195 4.283 1.00 0.33 C ATOM 914 C GLU A 61 24.161 3.988 2.800 1.00 0.31 C ATOM 915 O GLU A 61 24.577 4.753 1.953 1.00 0.32 O ATOM 916 CB GLU A 61 25.489 3.139 4.739 1.00 0.35 C ATOM 917 CG GLU A 61 26.834 3.385 4.052 1.00 0.40 C ATOM 918 CD GLU A 61 27.850 2.345 4.528 1.00 1.29 C ATOM 919 OE1 GLU A 61 28.011 2.211 5.730 1.00 1.99 O ATOM 920 OE2 GLU A 61 28.447 1.700 3.683 1.00 2.03 O ATOM 0 H GLU A 61 23.217 3.288 5.744 1.00 0.31 H new ATOM 0 HA GLU A 61 24.902 5.190 4.422 1.00 0.33 H new ATOM 0 HB2 GLU A 61 25.609 3.180 5.822 1.00 0.35 H new ATOM 0 HB3 GLU A 61 25.122 2.142 4.496 1.00 0.35 H new ATOM 0 HG2 GLU A 61 26.717 3.326 2.970 1.00 0.40 H new ATOM 0 HG3 GLU A 61 27.192 4.389 4.280 1.00 0.40 H new ATOM 927 N TYR A 62 23.432 2.956 2.481 1.00 0.28 N ATOM 928 CA TYR A 62 23.091 2.696 1.053 1.00 0.28 C ATOM 929 C TYR A 62 22.254 3.856 0.501 1.00 0.28 C ATOM 930 O TYR A 62 22.395 4.241 -0.643 1.00 0.30 O ATOM 931 CB TYR A 62 22.294 1.382 0.939 1.00 0.25 C ATOM 932 CG TYR A 62 23.232 0.185 0.923 1.00 0.27 C ATOM 933 CD1 TYR A 62 24.239 0.043 1.902 1.00 0.29 C ATOM 934 CD2 TYR A 62 23.090 -0.796 -0.082 1.00 0.27 C ATOM 935 CE1 TYR A 62 25.096 -1.076 1.874 1.00 0.32 C ATOM 936 CE2 TYR A 62 23.948 -1.911 -0.107 1.00 0.29 C ATOM 937 CZ TYR A 62 24.951 -2.051 0.870 1.00 0.31 C ATOM 938 OH TYR A 62 25.791 -3.145 0.845 1.00 0.34 O ATOM 0 H TYR A 62 23.057 2.280 3.147 1.00 0.28 H new ATOM 0 HA TYR A 62 24.011 2.610 0.475 1.00 0.28 H new ATOM 0 HB2 TYR A 62 21.602 1.297 1.777 1.00 0.25 H new ATOM 0 HB3 TYR A 62 21.694 1.392 0.029 1.00 0.25 H new ATOM 0 HD1 TYR A 62 24.353 0.791 2.672 1.00 0.29 H new ATOM 0 HD2 TYR A 62 22.321 -0.691 -0.833 1.00 0.27 H new ATOM 0 HE1 TYR A 62 25.865 -1.185 2.624 1.00 0.32 H new ATOM 0 HE2 TYR A 62 23.837 -2.660 -0.877 1.00 0.29 H new ATOM 0 HH TYR A 62 25.555 -3.721 0.088 1.00 0.34 H new ATOM 948 N VAL A 63 21.393 4.424 1.300 1.00 0.27 N ATOM 949 CA VAL A 63 20.570 5.558 0.808 1.00 0.28 C ATOM 950 C VAL A 63 21.497 6.732 0.527 1.00 0.32 C ATOM 951 O VAL A 63 21.360 7.429 -0.456 1.00 0.34 O ATOM 952 CB VAL A 63 19.540 5.944 1.876 1.00 0.28 C ATOM 953 CG1 VAL A 63 18.887 7.282 1.514 1.00 0.32 C ATOM 954 CG2 VAL A 63 18.462 4.860 1.956 1.00 0.25 C ATOM 0 H VAL A 63 21.226 4.151 2.269 1.00 0.27 H new ATOM 0 HA VAL A 63 20.040 5.278 -0.102 1.00 0.28 H new ATOM 0 HB VAL A 63 20.042 6.039 2.839 1.00 0.28 H new ATOM 0 HG11 VAL A 63 18.157 7.549 2.278 1.00 0.32 H new ATOM 0 HG12 VAL A 63 19.652 8.057 1.457 1.00 0.32 H new ATOM 0 HG13 VAL A 63 18.387 7.194 0.549 1.00 0.32 H new ATOM 0 HG21 VAL A 63 17.728 5.132 2.715 1.00 0.25 H new ATOM 0 HG22 VAL A 63 17.967 4.767 0.989 1.00 0.25 H new ATOM 0 HG23 VAL A 63 18.922 3.908 2.221 1.00 0.25 H new ATOM 964 N TYR A 64 22.445 6.948 1.389 1.00 0.34 N ATOM 965 CA TYR A 64 23.389 8.071 1.185 1.00 0.38 C ATOM 966 C TYR A 64 24.160 7.845 -0.112 1.00 0.38 C ATOM 967 O TYR A 64 24.366 8.747 -0.897 1.00 0.41 O ATOM 968 CB TYR A 64 24.369 8.127 2.361 1.00 0.41 C ATOM 969 CG TYR A 64 25.037 9.484 2.407 1.00 0.46 C ATOM 970 CD1 TYR A 64 24.323 10.603 2.875 1.00 0.48 C ATOM 971 CD2 TYR A 64 26.372 9.628 1.980 1.00 0.49 C ATOM 972 CE1 TYR A 64 24.944 11.867 2.918 1.00 0.52 C ATOM 973 CE2 TYR A 64 26.992 10.891 2.023 1.00 0.54 C ATOM 974 CZ TYR A 64 26.279 12.010 2.492 1.00 0.55 C ATOM 975 OH TYR A 64 26.887 13.248 2.533 1.00 0.60 O ATOM 0 H TYR A 64 22.606 6.392 2.229 1.00 0.34 H new ATOM 0 HA TYR A 64 22.840 9.011 1.125 1.00 0.38 H new ATOM 0 HB2 TYR A 64 23.841 7.940 3.296 1.00 0.41 H new ATOM 0 HB3 TYR A 64 25.121 7.345 2.257 1.00 0.41 H new ATOM 0 HD1 TYR A 64 23.299 10.493 3.201 1.00 0.48 H new ATOM 0 HD2 TYR A 64 26.919 8.770 1.620 1.00 0.49 H new ATOM 0 HE1 TYR A 64 24.397 12.726 3.277 1.00 0.52 H new ATOM 0 HE2 TYR A 64 28.015 11.001 1.696 1.00 0.54 H new ATOM 0 HH TYR A 64 27.807 13.171 2.205 1.00 0.60 H new ATOM 985 N ASP A 65 24.587 6.637 -0.335 1.00 0.36 N ATOM 986 CA ASP A 65 25.351 6.326 -1.575 1.00 0.37 C ATOM 987 C ASP A 65 24.475 6.599 -2.799 1.00 0.37 C ATOM 988 O ASP A 65 24.948 7.029 -3.832 1.00 0.40 O ATOM 989 CB ASP A 65 25.759 4.849 -1.551 1.00 0.35 C ATOM 990 CG ASP A 65 26.974 4.663 -0.637 1.00 0.39 C ATOM 991 OD1 ASP A 65 27.139 5.465 0.267 1.00 1.15 O ATOM 992 OD2 ASP A 65 27.717 3.721 -0.859 1.00 1.11 O ATOM 0 H ASP A 65 24.440 5.845 0.291 1.00 0.36 H new ATOM 0 HA ASP A 65 26.241 6.952 -1.627 1.00 0.37 H new ATOM 0 HB2 ASP A 65 24.929 4.238 -1.197 1.00 0.35 H new ATOM 0 HB3 ASP A 65 25.996 4.511 -2.560 1.00 0.35 H new ATOM 997 N LEU A 66 23.201 6.351 -2.691 1.00 0.33 N ATOM 998 CA LEU A 66 22.287 6.592 -3.843 1.00 0.34 C ATOM 999 C LEU A 66 22.100 8.099 -4.041 1.00 0.39 C ATOM 1000 O LEU A 66 21.891 8.569 -5.143 1.00 0.42 O ATOM 1001 CB LEU A 66 20.936 5.928 -3.548 1.00 0.31 C ATOM 1002 CG LEU A 66 21.005 4.417 -3.856 1.00 0.28 C ATOM 1003 CD1 LEU A 66 19.906 3.682 -3.085 1.00 0.24 C ATOM 1004 CD2 LEU A 66 20.793 4.167 -5.359 1.00 0.30 C ATOM 0 H LEU A 66 22.750 5.990 -1.850 1.00 0.33 H new ATOM 0 HA LEU A 66 22.711 6.168 -4.753 1.00 0.34 H new ATOM 0 HB2 LEU A 66 20.668 6.081 -2.503 1.00 0.31 H new ATOM 0 HB3 LEU A 66 20.155 6.394 -4.149 1.00 0.31 H new ATOM 0 HG LEU A 66 21.987 4.050 -3.557 1.00 0.28 H new ATOM 0 HD11 LEU A 66 19.958 2.616 -3.305 1.00 0.24 H new ATOM 0 HD12 LEU A 66 20.045 3.839 -2.015 1.00 0.24 H new ATOM 0 HD13 LEU A 66 18.931 4.067 -3.385 1.00 0.24 H new ATOM 0 HD21 LEU A 66 20.844 3.097 -5.561 1.00 0.30 H new ATOM 0 HD22 LEU A 66 19.815 4.546 -5.656 1.00 0.30 H new ATOM 0 HD23 LEU A 66 21.569 4.681 -5.926 1.00 0.30 H new ATOM 1016 N GLU A 67 22.179 8.859 -2.987 1.00 0.40 N ATOM 1017 CA GLU A 67 22.012 10.335 -3.118 1.00 0.45 C ATOM 1018 C GLU A 67 23.253 10.921 -3.787 1.00 0.50 C ATOM 1019 O GLU A 67 23.198 11.943 -4.441 1.00 0.55 O ATOM 1020 CB GLU A 67 21.850 10.956 -1.730 1.00 0.46 C ATOM 1021 CG GLU A 67 20.484 10.579 -1.164 1.00 0.44 C ATOM 1022 CD GLU A 67 20.239 11.344 0.138 1.00 1.13 C ATOM 1023 OE1 GLU A 67 21.032 12.218 0.446 1.00 1.81 O ATOM 1024 OE2 GLU A 67 19.263 11.043 0.804 1.00 1.88 O ATOM 0 H GLU A 67 22.352 8.524 -2.039 1.00 0.40 H new ATOM 0 HA GLU A 67 21.129 10.551 -3.719 1.00 0.45 H new ATOM 0 HB2 GLU A 67 22.641 10.604 -1.067 1.00 0.46 H new ATOM 0 HB3 GLU A 67 21.944 12.040 -1.791 1.00 0.46 H new ATOM 0 HG2 GLU A 67 19.703 10.812 -1.887 1.00 0.44 H new ATOM 0 HG3 GLU A 67 20.439 9.505 -0.981 1.00 0.44 H new ATOM 1031 N LEU A 68 24.372 10.275 -3.629 1.00 0.49 N ATOM 1032 CA LEU A 68 25.623 10.786 -4.257 1.00 0.54 C ATOM 1033 C LEU A 68 25.613 10.456 -5.752 1.00 0.56 C ATOM 1034 O LEU A 68 24.826 10.991 -6.508 1.00 0.62 O ATOM 1035 CB LEU A 68 26.835 10.129 -3.600 1.00 0.55 C ATOM 1036 CG LEU A 68 26.913 10.535 -2.125 1.00 0.55 C ATOM 1037 CD1 LEU A 68 28.067 9.779 -1.476 1.00 0.56 C ATOM 1038 CD2 LEU A 68 27.150 12.054 -1.991 1.00 0.61 C ATOM 0 H LEU A 68 24.476 9.414 -3.092 1.00 0.49 H new ATOM 0 HA LEU A 68 25.680 11.866 -4.121 1.00 0.54 H new ATOM 0 HB2 LEU A 68 26.762 9.045 -3.684 1.00 0.55 H new ATOM 0 HB3 LEU A 68 27.747 10.428 -4.117 1.00 0.55 H new ATOM 0 HG LEU A 68 25.972 10.290 -1.632 1.00 0.55 H new ATOM 0 HD11 LEU A 68 28.138 10.056 -0.424 1.00 0.56 H new ATOM 0 HD12 LEU A 68 27.891 8.706 -1.558 1.00 0.56 H new ATOM 0 HD13 LEU A 68 28.999 10.033 -1.982 1.00 0.56 H new ATOM 0 HD21 LEU A 68 27.202 12.322 -0.936 1.00 0.61 H new ATOM 0 HD22 LEU A 68 28.087 12.321 -2.480 1.00 0.61 H new ATOM 0 HD23 LEU A 68 26.328 12.593 -2.462 1.00 0.61 H new ATOM 1050 N ASN A 69 26.479 9.579 -6.186 1.00 0.61 N ATOM 1051 CA ASN A 69 26.521 9.213 -7.632 1.00 0.64 C ATOM 1052 C ASN A 69 25.572 8.042 -7.890 1.00 0.70 C ATOM 1053 O ASN A 69 25.491 7.173 -7.038 1.00 1.15 O ATOM 1054 CB ASN A 69 27.946 8.805 -8.012 1.00 0.82 C ATOM 1055 CG ASN A 69 28.832 10.050 -8.085 1.00 1.67 C ATOM 1056 OD1 ASN A 69 29.754 10.200 -7.307 1.00 2.45 O ATOM 1057 ND2 ASN A 69 28.590 10.955 -8.993 1.00 2.41 N ATOM 1058 OXT ASN A 69 24.943 8.034 -8.936 1.00 1.44 O ATOM 0 H ASN A 69 27.161 9.099 -5.599 1.00 0.61 H new ATOM 0 HA ASN A 69 26.214 10.069 -8.232 1.00 0.64 H new ATOM 0 HB2 ASN A 69 28.344 8.106 -7.277 1.00 0.82 H new ATOM 0 HB3 ASN A 69 27.944 8.290 -8.973 1.00 0.82 H new ATOM 0 HD21 ASN A 69 29.175 11.789 -9.050 1.00 2.41 H new ATOM 0 HD22 ASN A 69 27.816 10.829 -9.646 1.00 2.41 H new TER 1065 ASN A 69 ATOM 1066 N ALA B 1 11.632 -18.266 -12.348 1.00 3.98 N ATOM 1067 CA ALA B 1 10.920 -16.958 -12.371 1.00 3.41 C ATOM 1068 C ALA B 1 10.544 -16.548 -10.938 1.00 2.89 C ATOM 1069 O ALA B 1 9.378 -16.521 -10.600 1.00 2.91 O ATOM 1070 CB ALA B 1 9.646 -17.092 -13.207 1.00 3.83 C ATOM 0 H1 ALA B 1 12.571 -18.158 -12.783 1.00 3.98 H new ATOM 0 H2 ALA B 1 11.741 -18.585 -11.364 1.00 3.98 H new ATOM 0 H3 ALA B 1 11.082 -18.970 -12.881 1.00 3.98 H new ATOM 0 HA ALA B 1 11.570 -16.199 -12.806 1.00 3.41 H new ATOM 0 HB1 ALA B 1 9.121 -16.137 -13.227 1.00 3.83 H new ATOM 0 HB2 ALA B 1 9.907 -17.383 -14.224 1.00 3.83 H new ATOM 0 HB3 ALA B 1 9.000 -17.852 -12.767 1.00 3.83 H new ATOM 1078 N PRO B 2 11.539 -16.243 -10.128 1.00 2.53 N ATOM 1079 CA PRO B 2 11.296 -15.841 -8.729 1.00 2.14 C ATOM 1080 C PRO B 2 10.458 -14.553 -8.692 1.00 1.85 C ATOM 1081 O PRO B 2 10.613 -13.678 -9.519 1.00 1.89 O ATOM 1082 CB PRO B 2 12.706 -15.620 -8.127 1.00 1.96 C ATOM 1083 CG PRO B 2 13.746 -15.925 -9.245 1.00 2.21 C ATOM 1084 CD PRO B 2 12.962 -16.275 -10.530 1.00 2.60 C ATOM 0 HA PRO B 2 10.737 -16.588 -8.165 1.00 2.14 H new ATOM 0 HB2 PRO B 2 12.815 -14.595 -7.772 1.00 1.96 H new ATOM 0 HB3 PRO B 2 12.863 -16.273 -7.269 1.00 1.96 H new ATOM 0 HG2 PRO B 2 14.391 -15.063 -9.413 1.00 2.21 H new ATOM 0 HG3 PRO B 2 14.391 -16.754 -8.952 1.00 2.21 H new ATOM 0 HD2 PRO B 2 13.164 -15.557 -11.324 1.00 2.60 H new ATOM 0 HD3 PRO B 2 13.243 -17.257 -10.909 1.00 2.60 H new ATOM 1092 N MET B 3 9.577 -14.436 -7.735 1.00 1.69 N ATOM 1093 CA MET B 3 8.737 -13.208 -7.645 1.00 1.53 C ATOM 1094 C MET B 3 9.551 -12.083 -7.001 1.00 1.17 C ATOM 1095 O MET B 3 10.723 -12.237 -6.720 1.00 0.99 O ATOM 1096 CB MET B 3 7.499 -13.495 -6.792 1.00 1.63 C ATOM 1097 CG MET B 3 7.931 -14.015 -5.420 1.00 2.15 C ATOM 1098 SD MET B 3 6.464 -14.414 -4.437 1.00 2.54 S ATOM 1099 CE MET B 3 7.249 -15.611 -3.331 1.00 3.59 C ATOM 0 H MET B 3 9.403 -15.136 -7.014 1.00 1.69 H new ATOM 0 HA MET B 3 8.425 -12.907 -8.645 1.00 1.53 H new ATOM 0 HB2 MET B 3 6.905 -12.588 -6.678 1.00 1.63 H new ATOM 0 HB3 MET B 3 6.866 -14.230 -7.288 1.00 1.63 H new ATOM 0 HG2 MET B 3 8.557 -14.900 -5.535 1.00 2.15 H new ATOM 0 HG3 MET B 3 8.532 -13.264 -4.907 1.00 2.15 H new ATOM 0 HE1 MET B 3 6.511 -15.994 -2.626 1.00 3.59 H new ATOM 0 HE2 MET B 3 7.654 -16.437 -3.917 1.00 3.59 H new ATOM 0 HE3 MET B 3 8.056 -15.125 -2.783 1.00 3.59 H new ATOM 1109 N GLY B 4 8.944 -10.952 -6.768 1.00 1.14 N ATOM 1110 CA GLY B 4 9.690 -9.823 -6.145 1.00 0.89 C ATOM 1111 C GLY B 4 10.214 -10.246 -4.769 1.00 0.62 C ATOM 1112 O GLY B 4 10.002 -11.360 -4.331 1.00 0.70 O ATOM 0 H GLY B 4 7.965 -10.761 -6.982 1.00 1.14 H new ATOM 0 HA2 GLY B 4 10.521 -9.526 -6.785 1.00 0.89 H new ATOM 0 HA3 GLY B 4 9.038 -8.955 -6.045 1.00 0.89 H new ATOM 1116 N SER B 5 10.907 -9.370 -4.086 1.00 0.44 N ATOM 1117 CA SER B 5 11.458 -9.727 -2.741 1.00 0.30 C ATOM 1118 C SER B 5 10.440 -9.387 -1.636 1.00 0.27 C ATOM 1119 O SER B 5 9.859 -10.266 -1.031 1.00 0.30 O ATOM 1120 CB SER B 5 12.781 -8.971 -2.523 1.00 0.49 C ATOM 1121 OG SER B 5 13.825 -9.915 -2.321 1.00 1.52 O ATOM 0 H SER B 5 11.116 -8.423 -4.401 1.00 0.44 H new ATOM 0 HA SER B 5 11.649 -10.799 -2.696 1.00 0.30 H new ATOM 0 HB2 SER B 5 13.003 -8.343 -3.386 1.00 0.49 H new ATOM 0 HB3 SER B 5 12.699 -8.310 -1.660 1.00 0.49 H new ATOM 0 HG SER B 5 14.672 -9.442 -2.183 1.00 1.52 H new ATOM 1127 N ASP B 6 10.224 -8.125 -1.361 1.00 0.24 N ATOM 1128 CA ASP B 6 9.249 -7.753 -0.285 1.00 0.23 C ATOM 1129 C ASP B 6 8.727 -6.326 -0.519 1.00 0.21 C ATOM 1130 O ASP B 6 9.063 -5.425 0.223 1.00 0.20 O ATOM 1131 CB ASP B 6 9.943 -7.816 1.087 1.00 0.25 C ATOM 1132 CG ASP B 6 8.886 -7.893 2.194 1.00 1.26 C ATOM 1133 OD1 ASP B 6 7.789 -7.408 1.973 1.00 2.00 O ATOM 1134 OD2 ASP B 6 9.194 -8.436 3.242 1.00 2.03 O ATOM 0 H ASP B 6 10.676 -7.340 -1.830 1.00 0.24 H new ATOM 0 HA ASP B 6 8.414 -8.453 -0.309 1.00 0.23 H new ATOM 0 HB2 ASP B 6 10.598 -8.686 1.135 1.00 0.25 H new ATOM 0 HB3 ASP B 6 10.570 -6.936 1.229 1.00 0.25 H new ATOM 1139 N PRO B 7 7.919 -6.150 -1.541 1.00 0.22 N ATOM 1140 CA PRO B 7 7.360 -4.823 -1.858 1.00 0.22 C ATOM 1141 C PRO B 7 6.422 -4.370 -0.716 1.00 0.20 C ATOM 1142 O PRO B 7 6.049 -5.172 0.117 1.00 0.20 O ATOM 1143 CB PRO B 7 6.584 -5.025 -3.182 1.00 0.25 C ATOM 1144 CG PRO B 7 6.701 -6.531 -3.568 1.00 0.27 C ATOM 1145 CD PRO B 7 7.508 -7.236 -2.456 1.00 0.26 C ATOM 0 HA PRO B 7 8.123 -4.051 -1.961 1.00 0.22 H new ATOM 0 HB2 PRO B 7 5.539 -4.740 -3.061 1.00 0.25 H new ATOM 0 HB3 PRO B 7 6.997 -4.394 -3.969 1.00 0.25 H new ATOM 0 HG2 PRO B 7 5.712 -6.979 -3.666 1.00 0.27 H new ATOM 0 HG3 PRO B 7 7.199 -6.642 -4.531 1.00 0.27 H new ATOM 0 HD2 PRO B 7 6.902 -7.981 -1.939 1.00 0.26 H new ATOM 0 HD3 PRO B 7 8.373 -7.757 -2.865 1.00 0.26 H new ATOM 1153 N PRO B 8 6.058 -3.102 -0.712 1.00 0.21 N ATOM 1154 CA PRO B 8 5.156 -2.559 0.325 1.00 0.22 C ATOM 1155 C PRO B 8 3.804 -3.289 0.277 1.00 0.22 C ATOM 1156 O PRO B 8 3.703 -4.400 -0.208 1.00 0.22 O ATOM 1157 CB PRO B 8 5.000 -1.060 -0.032 1.00 0.24 C ATOM 1158 CG PRO B 8 5.736 -0.824 -1.384 1.00 0.26 C ATOM 1159 CD PRO B 8 6.507 -2.119 -1.721 1.00 0.24 C ATOM 0 HA PRO B 8 5.544 -2.691 1.335 1.00 0.22 H new ATOM 0 HB2 PRO B 8 3.947 -0.793 -0.117 1.00 0.24 H new ATOM 0 HB3 PRO B 8 5.426 -0.433 0.751 1.00 0.24 H new ATOM 0 HG2 PRO B 8 5.023 -0.585 -2.173 1.00 0.26 H new ATOM 0 HG3 PRO B 8 6.420 0.021 -1.306 1.00 0.26 H new ATOM 0 HD2 PRO B 8 6.284 -2.460 -2.732 1.00 0.24 H new ATOM 0 HD3 PRO B 8 7.584 -1.963 -1.668 1.00 0.24 H new ATOM 1167 N THR B 9 2.764 -2.671 0.777 1.00 0.23 N ATOM 1168 CA THR B 9 1.422 -3.324 0.761 1.00 0.24 C ATOM 1169 C THR B 9 0.331 -2.255 0.772 1.00 0.24 C ATOM 1170 O THR B 9 0.338 -1.350 1.583 1.00 0.25 O ATOM 1171 CB THR B 9 1.270 -4.209 1.999 1.00 0.25 C ATOM 1172 OG1 THR B 9 2.424 -5.025 2.141 1.00 0.26 O ATOM 1173 CG2 THR B 9 0.029 -5.093 1.849 1.00 0.29 C ATOM 0 H THR B 9 2.787 -1.741 1.196 1.00 0.23 H new ATOM 0 HA THR B 9 1.329 -3.932 -0.139 1.00 0.24 H new ATOM 0 HB THR B 9 1.159 -3.581 2.883 1.00 0.25 H new ATOM 0 HG1 THR B 9 2.438 -5.419 3.038 1.00 0.26 H new ATOM 0 HG21 THR B 9 -0.078 -5.723 2.732 1.00 0.29 H new ATOM 0 HG22 THR B 9 -0.855 -4.464 1.743 1.00 0.29 H new ATOM 0 HG23 THR B 9 0.135 -5.722 0.965 1.00 0.29 H new ATOM 1181 N ALA B 10 -0.607 -2.358 -0.124 1.00 0.23 N ATOM 1182 CA ALA B 10 -1.707 -1.358 -0.176 1.00 0.23 C ATOM 1183 C ALA B 10 -2.603 -1.516 1.054 1.00 0.22 C ATOM 1184 O ALA B 10 -3.648 -2.133 0.995 1.00 0.27 O ATOM 1185 CB ALA B 10 -2.532 -1.593 -1.441 1.00 0.23 C ATOM 0 H ALA B 10 -0.660 -3.096 -0.827 1.00 0.23 H new ATOM 0 HA ALA B 10 -1.289 -0.351 -0.188 1.00 0.23 H new ATOM 0 HB1 ALA B 10 -3.341 -0.864 -1.488 1.00 0.23 H new ATOM 0 HB2 ALA B 10 -1.893 -1.483 -2.317 1.00 0.23 H new ATOM 0 HB3 ALA B 10 -2.950 -2.599 -1.421 1.00 0.23 H new ATOM 1191 N CYS B 11 -2.203 -0.951 2.166 1.00 0.25 N ATOM 1192 CA CYS B 11 -3.025 -1.048 3.414 1.00 0.25 C ATOM 1193 C CYS B 11 -3.638 0.322 3.703 1.00 0.25 C ATOM 1194 O CYS B 11 -2.982 1.339 3.602 1.00 0.26 O ATOM 1195 CB CYS B 11 -2.129 -1.466 4.583 1.00 0.25 C ATOM 1196 SG CYS B 11 -1.352 -3.059 4.209 1.00 0.34 S ATOM 0 H CYS B 11 -1.336 -0.423 2.264 1.00 0.25 H new ATOM 0 HA CYS B 11 -3.814 -1.789 3.286 1.00 0.25 H new ATOM 0 HB2 CYS B 11 -1.365 -0.709 4.758 1.00 0.25 H new ATOM 0 HB3 CYS B 11 -2.718 -1.542 5.497 1.00 0.25 H new ATOM 1201 N CYS B 12 -4.895 0.361 4.050 1.00 0.24 N ATOM 1202 CA CYS B 12 -5.548 1.670 4.331 1.00 0.24 C ATOM 1203 C CYS B 12 -5.038 2.229 5.660 1.00 0.24 C ATOM 1204 O CYS B 12 -4.865 1.509 6.623 1.00 0.27 O ATOM 1205 CB CYS B 12 -7.065 1.478 4.407 1.00 0.24 C ATOM 1206 SG CYS B 12 -7.682 0.907 2.805 1.00 0.24 S ATOM 0 H CYS B 12 -5.497 -0.456 4.151 1.00 0.24 H new ATOM 0 HA CYS B 12 -5.308 2.370 3.531 1.00 0.24 H new ATOM 0 HB2 CYS B 12 -7.312 0.754 5.183 1.00 0.24 H new ATOM 0 HB3 CYS B 12 -7.548 2.416 4.681 1.00 0.24 H new ATOM 1211 N PHE B 13 -4.806 3.517 5.719 1.00 0.25 N ATOM 1212 CA PHE B 13 -4.317 4.149 6.982 1.00 0.27 C ATOM 1213 C PHE B 13 -5.491 4.867 7.652 1.00 0.24 C ATOM 1214 O PHE B 13 -5.467 5.169 8.829 1.00 0.26 O ATOM 1215 CB PHE B 13 -3.216 5.164 6.648 1.00 0.30 C ATOM 1216 CG PHE B 13 -3.819 6.345 5.925 1.00 0.31 C ATOM 1217 CD1 PHE B 13 -4.091 6.261 4.548 1.00 0.31 C ATOM 1218 CD2 PHE B 13 -4.117 7.524 6.634 1.00 0.35 C ATOM 1219 CE1 PHE B 13 -4.661 7.359 3.876 1.00 0.34 C ATOM 1220 CE2 PHE B 13 -4.688 8.623 5.963 1.00 0.37 C ATOM 1221 CZ PHE B 13 -4.960 8.540 4.584 1.00 0.37 C ATOM 0 H PHE B 13 -4.936 4.162 4.940 1.00 0.25 H new ATOM 0 HA PHE B 13 -3.913 3.390 7.652 1.00 0.27 H new ATOM 0 HB2 PHE B 13 -2.724 5.497 7.562 1.00 0.30 H new ATOM 0 HB3 PHE B 13 -2.452 4.696 6.027 1.00 0.30 H new ATOM 0 HD1 PHE B 13 -3.863 5.355 4.006 1.00 0.31 H new ATOM 0 HD2 PHE B 13 -3.908 7.586 7.692 1.00 0.35 H new ATOM 0 HE1 PHE B 13 -4.869 7.296 2.818 1.00 0.34 H new ATOM 0 HE2 PHE B 13 -4.917 9.528 6.506 1.00 0.37 H new ATOM 0 HZ PHE B 13 -5.398 9.382 4.069 1.00 0.37 H new ATOM 1231 N SER B 14 -6.519 5.139 6.896 1.00 0.21 N ATOM 1232 CA SER B 14 -7.711 5.836 7.454 1.00 0.20 C ATOM 1233 C SER B 14 -8.927 5.488 6.596 1.00 0.18 C ATOM 1234 O SER B 14 -8.984 4.437 5.989 1.00 0.17 O ATOM 1235 CB SER B 14 -7.479 7.348 7.427 1.00 0.20 C ATOM 1236 OG SER B 14 -7.317 7.775 6.080 1.00 0.25 O ATOM 0 H SER B 14 -6.584 4.905 5.905 1.00 0.21 H new ATOM 0 HA SER B 14 -7.880 5.520 8.483 1.00 0.20 H new ATOM 0 HB2 SER B 14 -8.322 7.865 7.886 1.00 0.20 H new ATOM 0 HB3 SER B 14 -6.594 7.602 8.010 1.00 0.20 H new ATOM 0 HG SER B 14 -6.379 7.671 5.814 1.00 0.25 H new ATOM 1242 N TYR B 15 -9.906 6.352 6.539 1.00 0.19 N ATOM 1243 CA TYR B 15 -11.117 6.047 5.717 1.00 0.20 C ATOM 1244 C TYR B 15 -11.797 7.348 5.293 1.00 0.24 C ATOM 1245 O TYR B 15 -11.535 8.406 5.831 1.00 0.29 O ATOM 1246 CB TYR B 15 -12.099 5.206 6.542 1.00 0.22 C ATOM 1247 CG TYR B 15 -11.343 4.181 7.351 1.00 0.21 C ATOM 1248 CD1 TYR B 15 -10.850 4.517 8.627 1.00 0.25 C ATOM 1249 CD2 TYR B 15 -11.129 2.890 6.832 1.00 0.21 C ATOM 1250 CE1 TYR B 15 -10.143 3.563 9.382 1.00 0.28 C ATOM 1251 CE2 TYR B 15 -10.421 1.936 7.588 1.00 0.23 C ATOM 1252 CZ TYR B 15 -9.928 2.273 8.863 1.00 0.27 C ATOM 1253 OH TYR B 15 -9.235 1.336 9.605 1.00 0.32 O ATOM 0 H TYR B 15 -9.921 7.250 7.022 1.00 0.19 H new ATOM 0 HA TYR B 15 -10.815 5.491 4.829 1.00 0.20 H new ATOM 0 HB2 TYR B 15 -12.677 5.851 7.204 1.00 0.22 H new ATOM 0 HB3 TYR B 15 -12.810 4.709 5.882 1.00 0.22 H new ATOM 0 HD1 TYR B 15 -11.015 5.507 9.026 1.00 0.25 H new ATOM 0 HD2 TYR B 15 -11.508 2.631 5.854 1.00 0.21 H new ATOM 0 HE1 TYR B 15 -9.765 3.821 10.360 1.00 0.28 H new ATOM 0 HE2 TYR B 15 -10.256 0.946 7.190 1.00 0.23 H new ATOM 0 HH TYR B 15 -9.177 0.498 9.101 1.00 0.32 H new ATOM 1263 N THR B 16 -12.675 7.271 4.332 1.00 0.22 N ATOM 1264 CA THR B 16 -13.382 8.501 3.876 1.00 0.28 C ATOM 1265 C THR B 16 -14.182 9.079 5.046 1.00 0.32 C ATOM 1266 O THR B 16 -13.971 8.721 6.188 1.00 0.38 O ATOM 1267 CB THR B 16 -14.314 8.153 2.707 1.00 0.28 C ATOM 1268 OG1 THR B 16 -15.123 9.276 2.389 1.00 0.39 O ATOM 1269 CG2 THR B 16 -15.207 6.972 3.085 1.00 0.27 C ATOM 0 H THR B 16 -12.933 6.413 3.844 1.00 0.22 H new ATOM 0 HA THR B 16 -12.660 9.244 3.536 1.00 0.28 H new ATOM 0 HB THR B 16 -13.710 7.883 1.841 1.00 0.28 H new ATOM 0 HG1 THR B 16 -15.715 9.051 1.641 1.00 0.39 H new ATOM 0 HG21 THR B 16 -15.865 6.732 2.250 1.00 0.27 H new ATOM 0 HG22 THR B 16 -14.587 6.107 3.319 1.00 0.27 H new ATOM 0 HG23 THR B 16 -15.807 7.234 3.956 1.00 0.27 H new ATOM 1277 N ALA B 17 -15.098 9.971 4.775 1.00 0.36 N ATOM 1278 CA ALA B 17 -15.916 10.576 5.869 1.00 0.42 C ATOM 1279 C ALA B 17 -17.350 10.744 5.372 1.00 0.45 C ATOM 1280 O ALA B 17 -18.156 11.425 5.974 1.00 0.63 O ATOM 1281 CB ALA B 17 -15.337 11.942 6.240 1.00 0.50 C ATOM 0 H ALA B 17 -15.316 10.309 3.838 1.00 0.36 H new ATOM 0 HA ALA B 17 -15.902 9.931 6.748 1.00 0.42 H new ATOM 0 HB1 ALA B 17 -15.933 12.385 7.038 1.00 0.50 H new ATOM 0 HB2 ALA B 17 -14.308 11.821 6.579 1.00 0.50 H new ATOM 0 HB3 ALA B 17 -15.357 12.595 5.367 1.00 0.50 H new ATOM 1287 N ARG B 18 -17.673 10.112 4.274 1.00 0.47 N ATOM 1288 CA ARG B 18 -19.055 10.208 3.715 1.00 0.48 C ATOM 1289 C ARG B 18 -19.471 8.833 3.190 1.00 0.41 C ATOM 1290 O ARG B 18 -18.788 8.232 2.384 1.00 0.37 O ATOM 1291 CB ARG B 18 -19.081 11.216 2.557 1.00 0.53 C ATOM 1292 CG ARG B 18 -18.840 12.656 3.076 1.00 0.70 C ATOM 1293 CD ARG B 18 -17.362 13.040 2.924 1.00 1.15 C ATOM 1294 NE ARG B 18 -17.114 14.329 3.630 1.00 1.96 N ATOM 1295 CZ ARG B 18 -15.891 14.720 3.867 1.00 2.64 C ATOM 1296 NH1 ARG B 18 -14.884 13.991 3.470 1.00 2.84 N ATOM 1297 NH2 ARG B 18 -15.675 15.843 4.497 1.00 3.63 N ATOM 0 H ARG B 18 -17.033 9.528 3.736 1.00 0.47 H new ATOM 0 HA ARG B 18 -19.741 10.539 4.495 1.00 0.48 H new ATOM 0 HB2 ARG B 18 -18.316 10.956 1.825 1.00 0.53 H new ATOM 0 HB3 ARG B 18 -20.042 11.165 2.046 1.00 0.53 H new ATOM 0 HG2 ARG B 18 -19.463 13.358 2.522 1.00 0.70 H new ATOM 0 HG3 ARG B 18 -19.134 12.726 4.123 1.00 0.70 H new ATOM 0 HD2 ARG B 18 -16.726 12.257 3.338 1.00 1.15 H new ATOM 0 HD3 ARG B 18 -17.105 13.135 1.869 1.00 1.15 H new ATOM 0 HE ARG B 18 -17.900 14.906 3.928 1.00 1.96 H new ATOM 0 HH11 ARG B 18 -15.052 13.116 2.974 1.00 2.84 H new ATOM 0 HH12 ARG B 18 -13.929 14.297 3.655 1.00 2.84 H new ATOM 0 HH21 ARG B 18 -16.462 16.415 4.804 1.00 3.63 H new ATOM 0 HH22 ARG B 18 -14.720 16.148 4.682 1.00 3.63 H new ATOM 1311 N LYS B 19 -20.586 8.329 3.639 1.00 0.40 N ATOM 1312 CA LYS B 19 -21.045 6.996 3.164 1.00 0.35 C ATOM 1313 C LYS B 19 -21.314 7.074 1.659 1.00 0.31 C ATOM 1314 O LYS B 19 -22.073 7.902 1.198 1.00 0.33 O ATOM 1315 CB LYS B 19 -22.327 6.611 3.917 1.00 0.38 C ATOM 1316 CG LYS B 19 -22.738 5.147 3.616 1.00 0.40 C ATOM 1317 CD LYS B 19 -23.931 5.087 2.647 1.00 0.62 C ATOM 1318 CE LYS B 19 -25.238 5.360 3.404 1.00 0.97 C ATOM 1319 NZ LYS B 19 -26.283 5.812 2.443 1.00 1.79 N ATOM 0 H LYS B 19 -21.200 8.784 4.315 1.00 0.40 H new ATOM 0 HA LYS B 19 -20.283 6.240 3.352 1.00 0.35 H new ATOM 0 HB2 LYS B 19 -22.173 6.735 4.989 1.00 0.38 H new ATOM 0 HB3 LYS B 19 -23.135 7.284 3.631 1.00 0.38 H new ATOM 0 HG2 LYS B 19 -21.892 4.611 3.187 1.00 0.40 H new ATOM 0 HG3 LYS B 19 -22.997 4.642 4.546 1.00 0.40 H new ATOM 0 HD2 LYS B 19 -23.801 5.822 1.852 1.00 0.62 H new ATOM 0 HD3 LYS B 19 -23.975 4.107 2.171 1.00 0.62 H new ATOM 0 HE2 LYS B 19 -25.568 4.458 3.919 1.00 0.97 H new ATOM 0 HE3 LYS B 19 -25.077 6.121 4.167 1.00 0.97 H new ATOM 0 HZ1 LYS B 19 -27.190 5.916 2.940 1.00 1.79 H new ATOM 0 HZ2 LYS B 19 -26.006 6.727 2.034 1.00 1.79 H new ATOM 0 HZ3 LYS B 19 -26.383 5.109 1.683 1.00 1.79 H new ATOM 1333 N LEU B 20 -20.682 6.231 0.886 1.00 0.27 N ATOM 1334 CA LEU B 20 -20.888 6.276 -0.591 1.00 0.27 C ATOM 1335 C LEU B 20 -22.300 5.756 -0.941 1.00 0.27 C ATOM 1336 O LEU B 20 -22.584 4.604 -0.680 1.00 0.27 O ATOM 1337 CB LEU B 20 -19.864 5.364 -1.276 1.00 0.24 C ATOM 1338 CG LEU B 20 -18.472 5.584 -0.685 1.00 0.23 C ATOM 1339 CD1 LEU B 20 -17.450 4.829 -1.535 1.00 0.22 C ATOM 1340 CD2 LEU B 20 -18.128 7.076 -0.691 1.00 0.27 C ATOM 0 H LEU B 20 -20.033 5.515 1.213 1.00 0.27 H new ATOM 0 HA LEU B 20 -20.773 7.306 -0.930 1.00 0.27 H new ATOM 0 HB2 LEU B 20 -20.157 4.321 -1.153 1.00 0.24 H new ATOM 0 HB3 LEU B 20 -19.847 5.566 -2.347 1.00 0.24 H new ATOM 0 HG LEU B 20 -18.453 5.219 0.342 1.00 0.23 H new ATOM 0 HD11 LEU B 20 -16.452 4.979 -1.123 1.00 0.22 H new ATOM 0 HD12 LEU B 20 -17.688 3.765 -1.531 1.00 0.22 H new ATOM 0 HD13 LEU B 20 -17.480 5.204 -2.558 1.00 0.22 H new ATOM 0 HD21 LEU B 20 -17.134 7.222 -0.268 1.00 0.27 H new ATOM 0 HD22 LEU B 20 -18.145 7.449 -1.715 1.00 0.27 H new ATOM 0 HD23 LEU B 20 -18.860 7.621 -0.094 1.00 0.27 H new ATOM 1352 N PRO B 21 -23.156 6.575 -1.537 1.00 0.31 N ATOM 1353 CA PRO B 21 -24.502 6.104 -1.911 1.00 0.34 C ATOM 1354 C PRO B 21 -24.382 4.875 -2.814 1.00 0.30 C ATOM 1355 O PRO B 21 -23.457 4.758 -3.590 1.00 0.29 O ATOM 1356 CB PRO B 21 -25.142 7.286 -2.675 1.00 0.39 C ATOM 1357 CG PRO B 21 -24.199 8.509 -2.503 1.00 0.42 C ATOM 1358 CD PRO B 21 -22.884 7.993 -1.883 1.00 0.35 C ATOM 0 HA PRO B 21 -25.102 5.813 -1.049 1.00 0.34 H new ATOM 0 HB2 PRO B 21 -25.265 7.041 -3.730 1.00 0.39 H new ATOM 0 HB3 PRO B 21 -26.134 7.507 -2.281 1.00 0.39 H new ATOM 0 HG2 PRO B 21 -24.009 8.986 -3.465 1.00 0.42 H new ATOM 0 HG3 PRO B 21 -24.658 9.260 -1.860 1.00 0.42 H new ATOM 0 HD2 PRO B 21 -22.056 8.076 -2.587 1.00 0.35 H new ATOM 0 HD3 PRO B 21 -22.611 8.570 -1.000 1.00 0.35 H new ATOM 1366 N ARG B 22 -25.313 3.967 -2.735 1.00 0.31 N ATOM 1367 CA ARG B 22 -25.243 2.769 -3.613 1.00 0.30 C ATOM 1368 C ARG B 22 -25.033 3.228 -5.057 1.00 0.31 C ATOM 1369 O ARG B 22 -24.381 2.570 -5.844 1.00 0.31 O ATOM 1370 CB ARG B 22 -26.545 1.978 -3.511 1.00 0.33 C ATOM 1371 CG ARG B 22 -26.445 0.736 -4.408 1.00 0.69 C ATOM 1372 CD ARG B 22 -27.644 -0.205 -4.171 1.00 1.24 C ATOM 1373 NE ARG B 22 -27.176 -1.628 -4.174 1.00 1.34 N ATOM 1374 CZ ARG B 22 -26.379 -2.078 -5.109 1.00 2.07 C ATOM 1375 NH1 ARG B 22 -26.097 -1.344 -6.150 1.00 2.89 N ATOM 1376 NH2 ARG B 22 -25.902 -3.289 -5.025 1.00 2.44 N ATOM 0 H ARG B 22 -26.114 4.002 -2.105 1.00 0.31 H new ATOM 0 HA ARG B 22 -24.416 2.131 -3.302 1.00 0.30 H new ATOM 0 HB2 ARG B 22 -26.727 1.683 -2.478 1.00 0.33 H new ATOM 0 HB3 ARG B 22 -27.387 2.598 -3.818 1.00 0.33 H new ATOM 0 HG2 ARG B 22 -26.415 1.039 -5.455 1.00 0.69 H new ATOM 0 HG3 ARG B 22 -25.515 0.207 -4.202 1.00 0.69 H new ATOM 0 HD2 ARG B 22 -28.120 0.029 -3.219 1.00 1.24 H new ATOM 0 HD3 ARG B 22 -28.394 -0.057 -4.948 1.00 1.24 H new ATOM 0 HE ARG B 22 -27.484 -2.258 -3.433 1.00 1.34 H new ATOM 0 HH11 ARG B 22 -26.499 -0.411 -6.240 1.00 2.89 H new ATOM 0 HH12 ARG B 22 -25.475 -1.703 -6.874 1.00 2.89 H new ATOM 0 HH21 ARG B 22 -26.151 -3.881 -4.233 1.00 2.44 H new ATOM 0 HH22 ARG B 22 -25.280 -3.644 -5.752 1.00 2.44 H new ATOM 1390 N ASN B 23 -25.584 4.361 -5.408 1.00 0.34 N ATOM 1391 CA ASN B 23 -25.422 4.876 -6.799 1.00 0.37 C ATOM 1392 C ASN B 23 -23.994 5.394 -7.001 1.00 0.37 C ATOM 1393 O ASN B 23 -23.710 6.090 -7.957 1.00 0.40 O ATOM 1394 CB ASN B 23 -26.423 6.009 -7.048 1.00 0.42 C ATOM 1395 CG ASN B 23 -26.045 7.230 -6.206 1.00 1.47 C ATOM 1396 OD1 ASN B 23 -24.961 7.762 -6.339 1.00 2.16 O ATOM 1397 ND2 ASN B 23 -26.900 7.700 -5.340 1.00 2.38 N ATOM 0 H ASN B 23 -26.140 4.952 -4.790 1.00 0.34 H new ATOM 0 HA ASN B 23 -25.610 4.066 -7.504 1.00 0.37 H new ATOM 0 HB2 ASN B 23 -26.431 6.274 -8.105 1.00 0.42 H new ATOM 0 HB3 ASN B 23 -27.430 5.679 -6.794 1.00 0.42 H new ATOM 0 HD21 ASN B 23 -26.658 8.514 -4.775 1.00 2.38 H new ATOM 0 HD22 ASN B 23 -27.810 7.254 -5.228 1.00 2.38 H new ATOM 1404 N PHE B 24 -23.095 5.068 -6.107 1.00 0.33 N ATOM 1405 CA PHE B 24 -21.681 5.548 -6.241 1.00 0.33 C ATOM 1406 C PHE B 24 -20.734 4.401 -5.880 1.00 0.30 C ATOM 1407 O PHE B 24 -19.636 4.611 -5.406 1.00 0.28 O ATOM 1408 CB PHE B 24 -21.460 6.729 -5.278 1.00 0.33 C ATOM 1409 CG PHE B 24 -20.292 7.578 -5.736 1.00 0.35 C ATOM 1410 CD1 PHE B 24 -20.343 8.225 -6.989 1.00 0.39 C ATOM 1411 CD2 PHE B 24 -19.159 7.735 -4.910 1.00 0.35 C ATOM 1412 CE1 PHE B 24 -19.266 9.022 -7.413 1.00 0.41 C ATOM 1413 CE2 PHE B 24 -18.081 8.533 -5.339 1.00 0.37 C ATOM 1414 CZ PHE B 24 -18.134 9.176 -6.589 1.00 0.41 C ATOM 0 H PHE B 24 -23.277 4.489 -5.287 1.00 0.33 H new ATOM 0 HA PHE B 24 -21.487 5.873 -7.263 1.00 0.33 H new ATOM 0 HB2 PHE B 24 -22.362 7.339 -5.228 1.00 0.33 H new ATOM 0 HB3 PHE B 24 -21.272 6.355 -4.272 1.00 0.33 H new ATOM 0 HD1 PHE B 24 -21.210 8.108 -7.622 1.00 0.39 H new ATOM 0 HD2 PHE B 24 -19.119 7.243 -3.949 1.00 0.35 H new ATOM 0 HE1 PHE B 24 -19.306 9.517 -8.372 1.00 0.41 H new ATOM 0 HE2 PHE B 24 -17.213 8.651 -4.708 1.00 0.37 H new ATOM 0 HZ PHE B 24 -17.307 9.788 -6.917 1.00 0.41 H new ATOM 1424 N VAL B 25 -21.159 3.186 -6.104 1.00 0.30 N ATOM 1425 CA VAL B 25 -20.303 2.007 -5.779 1.00 0.28 C ATOM 1426 C VAL B 25 -20.628 0.879 -6.759 1.00 0.30 C ATOM 1427 O VAL B 25 -21.497 0.064 -6.516 1.00 0.31 O ATOM 1428 CB VAL B 25 -20.596 1.542 -4.350 1.00 0.24 C ATOM 1429 CG1 VAL B 25 -19.660 0.390 -3.982 1.00 0.22 C ATOM 1430 CG2 VAL B 25 -20.374 2.701 -3.375 1.00 0.23 C ATOM 0 H VAL B 25 -22.070 2.958 -6.502 1.00 0.30 H new ATOM 0 HA VAL B 25 -19.250 2.278 -5.860 1.00 0.28 H new ATOM 0 HB VAL B 25 -21.631 1.206 -4.289 1.00 0.24 H new ATOM 0 HG11 VAL B 25 -19.871 0.061 -2.964 1.00 0.22 H new ATOM 0 HG12 VAL B 25 -19.816 -0.440 -4.671 1.00 0.22 H new ATOM 0 HG13 VAL B 25 -18.625 0.727 -4.048 1.00 0.22 H new ATOM 0 HG21 VAL B 25 -20.583 2.367 -2.359 1.00 0.23 H new ATOM 0 HG22 VAL B 25 -19.340 3.038 -3.440 1.00 0.23 H new ATOM 0 HG23 VAL B 25 -21.041 3.524 -3.631 1.00 0.23 H new ATOM 1440 N VAL B 26 -19.943 0.827 -7.869 1.00 0.33 N ATOM 1441 CA VAL B 26 -20.216 -0.241 -8.869 1.00 0.36 C ATOM 1442 C VAL B 26 -19.455 -1.508 -8.490 1.00 0.35 C ATOM 1443 O VAL B 26 -19.694 -2.571 -9.030 1.00 0.37 O ATOM 1444 CB VAL B 26 -19.755 0.233 -10.246 1.00 0.41 C ATOM 1445 CG1 VAL B 26 -20.713 1.307 -10.764 1.00 0.78 C ATOM 1446 CG2 VAL B 26 -18.345 0.818 -10.136 1.00 0.61 C ATOM 0 H VAL B 26 -19.204 1.481 -8.126 1.00 0.33 H new ATOM 0 HA VAL B 26 -21.284 -0.455 -8.889 1.00 0.36 H new ATOM 0 HB VAL B 26 -19.748 -0.610 -10.937 1.00 0.41 H new ATOM 0 HG11 VAL B 26 -20.384 1.645 -11.747 1.00 0.78 H new ATOM 0 HG12 VAL B 26 -21.718 0.892 -10.841 1.00 0.78 H new ATOM 0 HG13 VAL B 26 -20.721 2.151 -10.074 1.00 0.78 H new ATOM 0 HG21 VAL B 26 -18.014 1.157 -11.118 1.00 0.61 H new ATOM 0 HG22 VAL B 26 -18.354 1.661 -9.445 1.00 0.61 H new ATOM 0 HG23 VAL B 26 -17.662 0.053 -9.767 1.00 0.61 H new ATOM 1456 N ASP B 27 -18.541 -1.411 -7.568 1.00 0.32 N ATOM 1457 CA ASP B 27 -17.772 -2.619 -7.167 1.00 0.31 C ATOM 1458 C ASP B 27 -16.955 -2.300 -5.922 1.00 0.27 C ATOM 1459 O ASP B 27 -17.083 -1.243 -5.338 1.00 0.25 O ATOM 1460 CB ASP B 27 -16.833 -3.026 -8.304 1.00 0.34 C ATOM 1461 CG ASP B 27 -16.298 -4.435 -8.045 1.00 0.35 C ATOM 1462 OD1 ASP B 27 -17.068 -5.266 -7.591 1.00 1.09 O ATOM 1463 OD2 ASP B 27 -15.128 -4.660 -8.305 1.00 1.13 O ATOM 0 H ASP B 27 -18.294 -0.552 -7.077 1.00 0.32 H new ATOM 0 HA ASP B 27 -18.459 -3.439 -6.955 1.00 0.31 H new ATOM 0 HB2 ASP B 27 -17.363 -2.996 -9.256 1.00 0.34 H new ATOM 0 HB3 ASP B 27 -16.006 -2.320 -8.377 1.00 0.34 H new ATOM 1468 N TYR B 28 -16.107 -3.201 -5.511 1.00 0.26 N ATOM 1469 CA TYR B 28 -15.281 -2.932 -4.305 1.00 0.23 C ATOM 1470 C TYR B 28 -14.018 -3.784 -4.334 1.00 0.25 C ATOM 1471 O TYR B 28 -13.740 -4.491 -5.283 1.00 0.29 O ATOM 1472 CB TYR B 28 -16.089 -3.228 -3.035 1.00 0.19 C ATOM 1473 CG TYR B 28 -16.228 -4.723 -2.821 1.00 0.21 C ATOM 1474 CD1 TYR B 28 -16.923 -5.511 -3.759 1.00 0.25 C ATOM 1475 CD2 TYR B 28 -15.671 -5.325 -1.674 1.00 0.19 C ATOM 1476 CE1 TYR B 28 -17.060 -6.896 -3.553 1.00 0.27 C ATOM 1477 CE2 TYR B 28 -15.808 -6.709 -1.466 1.00 0.22 C ATOM 1478 CZ TYR B 28 -16.503 -7.496 -2.406 1.00 0.25 C ATOM 1479 OH TYR B 28 -16.639 -8.854 -2.202 1.00 0.28 O ATOM 0 H TYR B 28 -15.952 -4.106 -5.956 1.00 0.26 H new ATOM 0 HA TYR B 28 -14.995 -1.880 -4.302 1.00 0.23 H new ATOM 0 HB2 TYR B 28 -15.598 -2.777 -2.173 1.00 0.19 H new ATOM 0 HB3 TYR B 28 -17.077 -2.774 -3.113 1.00 0.19 H new ATOM 0 HD1 TYR B 28 -17.351 -5.051 -4.638 1.00 0.25 H new ATOM 0 HD2 TYR B 28 -15.138 -4.722 -0.954 1.00 0.19 H new ATOM 0 HE1 TYR B 28 -17.592 -7.499 -4.274 1.00 0.27 H new ATOM 0 HE2 TYR B 28 -15.381 -7.168 -0.587 1.00 0.22 H new ATOM 0 HH TYR B 28 -16.196 -9.105 -1.365 1.00 0.28 H new ATOM 1489 N TYR B 29 -13.246 -3.696 -3.299 1.00 0.23 N ATOM 1490 CA TYR B 29 -11.980 -4.463 -3.229 1.00 0.25 C ATOM 1491 C TYR B 29 -11.534 -4.515 -1.763 1.00 0.22 C ATOM 1492 O TYR B 29 -11.702 -3.564 -1.034 1.00 0.23 O ATOM 1493 CB TYR B 29 -10.939 -3.740 -4.100 1.00 0.29 C ATOM 1494 CG TYR B 29 -9.538 -4.162 -3.723 1.00 0.31 C ATOM 1495 CD1 TYR B 29 -9.154 -5.506 -3.863 1.00 0.36 C ATOM 1496 CD2 TYR B 29 -8.622 -3.213 -3.229 1.00 0.35 C ATOM 1497 CE1 TYR B 29 -7.850 -5.906 -3.511 1.00 0.39 C ATOM 1498 CE2 TYR B 29 -7.318 -3.610 -2.878 1.00 0.38 C ATOM 1499 CZ TYR B 29 -6.932 -4.959 -3.018 1.00 0.36 C ATOM 1500 OH TYR B 29 -5.655 -5.349 -2.672 1.00 0.39 O ATOM 0 H TYR B 29 -13.440 -3.115 -2.483 1.00 0.23 H new ATOM 0 HA TYR B 29 -12.101 -5.482 -3.595 1.00 0.25 H new ATOM 0 HB2 TYR B 29 -11.120 -3.963 -5.151 1.00 0.29 H new ATOM 0 HB3 TYR B 29 -11.044 -2.662 -3.980 1.00 0.29 H new ATOM 0 HD1 TYR B 29 -9.858 -6.232 -4.240 1.00 0.36 H new ATOM 0 HD2 TYR B 29 -8.920 -2.181 -3.120 1.00 0.35 H new ATOM 0 HE1 TYR B 29 -7.554 -6.939 -3.619 1.00 0.39 H new ATOM 0 HE2 TYR B 29 -6.614 -2.882 -2.502 1.00 0.38 H new ATOM 0 HH TYR B 29 -5.151 -4.572 -2.351 1.00 0.39 H new ATOM 1510 N GLU B 30 -10.975 -5.609 -1.320 1.00 0.22 N ATOM 1511 CA GLU B 30 -10.526 -5.696 0.106 1.00 0.20 C ATOM 1512 C GLU B 30 -9.021 -5.410 0.176 1.00 0.21 C ATOM 1513 O GLU B 30 -8.299 -5.593 -0.785 1.00 0.24 O ATOM 1514 CB GLU B 30 -10.809 -7.101 0.645 1.00 0.22 C ATOM 1515 CG GLU B 30 -12.299 -7.234 0.976 1.00 0.25 C ATOM 1516 CD GLU B 30 -12.629 -8.699 1.268 1.00 0.69 C ATOM 1517 OE1 GLU B 30 -11.710 -9.502 1.273 1.00 1.35 O ATOM 1518 OE2 GLU B 30 -13.793 -8.992 1.481 1.00 1.43 O ATOM 0 H GLU B 30 -10.809 -6.446 -1.879 1.00 0.22 H new ATOM 0 HA GLU B 30 -11.066 -4.965 0.708 1.00 0.20 H new ATOM 0 HB2 GLU B 30 -10.522 -7.849 -0.094 1.00 0.22 H new ATOM 0 HB3 GLU B 30 -10.210 -7.287 1.537 1.00 0.22 H new ATOM 0 HG2 GLU B 30 -12.547 -6.616 1.839 1.00 0.25 H new ATOM 0 HG3 GLU B 30 -12.901 -6.874 0.142 1.00 0.25 H new ATOM 1525 N THR B 31 -8.546 -4.954 1.302 1.00 0.19 N ATOM 1526 CA THR B 31 -7.091 -4.643 1.433 1.00 0.21 C ATOM 1527 C THR B 31 -6.280 -5.937 1.494 1.00 0.25 C ATOM 1528 O THR B 31 -6.778 -7.012 1.224 1.00 0.27 O ATOM 1529 CB THR B 31 -6.860 -3.849 2.720 1.00 0.20 C ATOM 1530 OG1 THR B 31 -7.585 -4.458 3.771 1.00 0.21 O ATOM 1531 CG2 THR B 31 -7.337 -2.409 2.524 1.00 0.20 C ATOM 0 H THR B 31 -9.102 -4.782 2.140 1.00 0.19 H new ATOM 0 HA THR B 31 -6.773 -4.060 0.569 1.00 0.21 H new ATOM 0 HB THR B 31 -5.798 -3.840 2.967 1.00 0.20 H new ATOM 0 HG1 THR B 31 -7.535 -5.433 3.681 1.00 0.21 H new ATOM 0 HG21 THR B 31 -7.172 -1.843 3.441 1.00 0.20 H new ATOM 0 HG22 THR B 31 -6.779 -1.949 1.709 1.00 0.20 H new ATOM 0 HG23 THR B 31 -8.400 -2.407 2.283 1.00 0.20 H new ATOM 1539 N SER B 32 -5.029 -5.832 1.848 1.00 0.27 N ATOM 1540 CA SER B 32 -4.165 -7.040 1.936 1.00 0.31 C ATOM 1541 C SER B 32 -4.371 -7.715 3.293 1.00 0.33 C ATOM 1542 O SER B 32 -5.375 -7.521 3.949 1.00 0.33 O ATOM 1543 CB SER B 32 -2.702 -6.620 1.794 1.00 0.33 C ATOM 1544 OG SER B 32 -2.504 -6.038 0.512 1.00 1.27 O ATOM 0 H SER B 32 -4.566 -4.954 2.082 1.00 0.27 H new ATOM 0 HA SER B 32 -4.426 -7.738 1.141 1.00 0.31 H new ATOM 0 HB2 SER B 32 -2.439 -5.906 2.575 1.00 0.33 H new ATOM 0 HB3 SER B 32 -2.050 -7.484 1.919 1.00 0.33 H new ATOM 0 HG SER B 32 -1.727 -6.452 0.081 1.00 1.27 H new ATOM 1550 N SER B 33 -3.419 -8.506 3.717 1.00 0.36 N ATOM 1551 CA SER B 33 -3.527 -9.210 5.034 1.00 0.40 C ATOM 1552 C SER B 33 -2.242 -8.970 5.816 1.00 0.40 C ATOM 1553 O SER B 33 -2.243 -8.871 7.028 1.00 0.42 O ATOM 1554 CB SER B 33 -3.682 -10.704 4.785 1.00 0.46 C ATOM 1555 OG SER B 33 -2.403 -11.274 4.538 1.00 0.48 O ATOM 0 H SER B 33 -2.560 -8.697 3.201 1.00 0.36 H new ATOM 0 HA SER B 33 -4.385 -8.837 5.593 1.00 0.40 H new ATOM 0 HB2 SER B 33 -4.145 -11.182 5.648 1.00 0.46 H new ATOM 0 HB3 SER B 33 -4.340 -10.876 3.933 1.00 0.46 H new ATOM 0 HG SER B 33 -2.499 -12.236 4.379 1.00 0.48 H new ATOM 1561 N LEU B 34 -1.146 -8.883 5.115 1.00 0.39 N ATOM 1562 CA LEU B 34 0.177 -8.652 5.769 1.00 0.39 C ATOM 1563 C LEU B 34 0.033 -7.642 6.909 1.00 0.37 C ATOM 1564 O LEU B 34 0.365 -7.916 8.045 1.00 0.40 O ATOM 1565 CB LEU B 34 1.163 -8.099 4.737 1.00 0.36 C ATOM 1566 CG LEU B 34 1.014 -8.846 3.410 1.00 0.39 C ATOM 1567 CD1 LEU B 34 2.129 -8.412 2.452 1.00 0.40 C ATOM 1568 CD2 LEU B 34 1.106 -10.356 3.656 1.00 0.45 C ATOM 0 H LEU B 34 -1.109 -8.963 4.099 1.00 0.39 H new ATOM 0 HA LEU B 34 0.543 -9.597 6.169 1.00 0.39 H new ATOM 0 HB2 LEU B 34 0.983 -7.035 4.586 1.00 0.36 H new ATOM 0 HB3 LEU B 34 2.183 -8.201 5.107 1.00 0.36 H new ATOM 0 HG LEU B 34 0.045 -8.612 2.969 1.00 0.39 H new ATOM 0 HD11 LEU B 34 2.024 -8.944 1.506 1.00 0.40 H new ATOM 0 HD12 LEU B 34 2.059 -7.339 2.275 1.00 0.40 H new ATOM 0 HD13 LEU B 34 3.098 -8.644 2.893 1.00 0.40 H new ATOM 0 HD21 LEU B 34 1.000 -10.886 2.709 1.00 0.45 H new ATOM 0 HD22 LEU B 34 2.073 -10.594 4.099 1.00 0.45 H new ATOM 0 HD23 LEU B 34 0.311 -10.663 4.335 1.00 0.45 H new ATOM 1580 N CYS B 35 -0.460 -6.474 6.608 1.00 0.33 N ATOM 1581 CA CYS B 35 -0.624 -5.444 7.670 1.00 0.34 C ATOM 1582 C CYS B 35 -1.762 -5.862 8.607 1.00 0.39 C ATOM 1583 O CYS B 35 -2.837 -6.217 8.178 1.00 0.39 O ATOM 1584 CB CYS B 35 -0.936 -4.088 7.025 1.00 0.32 C ATOM 1585 SG CYS B 35 -2.062 -4.314 5.626 1.00 0.40 S ATOM 0 H CYS B 35 -0.756 -6.188 5.675 1.00 0.33 H new ATOM 0 HA CYS B 35 0.297 -5.355 8.246 1.00 0.34 H new ATOM 0 HB2 CYS B 35 -1.386 -3.421 7.760 1.00 0.32 H new ATOM 0 HB3 CYS B 35 -0.014 -3.615 6.688 1.00 0.32 H new ATOM 1590 N SER B 36 -1.516 -5.849 9.888 1.00 0.44 N ATOM 1591 CA SER B 36 -2.565 -6.260 10.868 1.00 0.51 C ATOM 1592 C SER B 36 -3.746 -5.277 10.875 1.00 0.51 C ATOM 1593 O SER B 36 -4.371 -5.076 11.898 1.00 0.58 O ATOM 1594 CB SER B 36 -1.949 -6.313 12.266 1.00 0.59 C ATOM 1595 OG SER B 36 -1.578 -4.999 12.665 1.00 1.41 O ATOM 0 H SER B 36 -0.627 -5.569 10.302 1.00 0.44 H new ATOM 0 HA SER B 36 -2.940 -7.241 10.575 1.00 0.51 H new ATOM 0 HB2 SER B 36 -2.663 -6.733 12.975 1.00 0.59 H new ATOM 0 HB3 SER B 36 -1.076 -6.966 12.267 1.00 0.59 H new ATOM 0 HG SER B 36 -1.184 -5.028 13.562 1.00 1.41 H new ATOM 1601 N GLN B 37 -4.071 -4.653 9.770 1.00 0.45 N ATOM 1602 CA GLN B 37 -5.222 -3.693 9.785 1.00 0.47 C ATOM 1603 C GLN B 37 -5.847 -3.558 8.388 1.00 0.36 C ATOM 1604 O GLN B 37 -5.785 -2.498 7.798 1.00 0.35 O ATOM 1605 CB GLN B 37 -4.724 -2.323 10.251 1.00 0.55 C ATOM 1606 CG GLN B 37 -3.427 -1.971 9.520 1.00 0.78 C ATOM 1607 CD GLN B 37 -3.070 -0.508 9.788 1.00 0.79 C ATOM 1608 OE1 GLN B 37 -3.856 0.380 9.523 1.00 1.24 O ATOM 1609 NE2 GLN B 37 -1.908 -0.217 10.306 1.00 1.48 N ATOM 0 H GLN B 37 -3.600 -4.762 8.872 1.00 0.45 H new ATOM 0 HA GLN B 37 -5.983 -4.073 10.467 1.00 0.47 H new ATOM 0 HB2 GLN B 37 -5.481 -1.564 10.055 1.00 0.55 H new ATOM 0 HB3 GLN B 37 -4.555 -2.334 11.328 1.00 0.55 H new ATOM 0 HG2 GLN B 37 -2.619 -2.621 9.857 1.00 0.78 H new ATOM 0 HG3 GLN B 37 -3.544 -2.137 8.449 1.00 0.78 H new ATOM 0 HE21 GLN B 37 -1.248 -0.962 10.529 1.00 1.48 H new ATOM 0 HE22 GLN B 37 -1.660 0.755 10.488 1.00 1.48 H new ATOM 1618 N PRO B 38 -6.455 -4.620 7.901 1.00 0.34 N ATOM 1619 CA PRO B 38 -7.114 -4.596 6.580 1.00 0.26 C ATOM 1620 C PRO B 38 -8.366 -3.708 6.658 1.00 0.25 C ATOM 1621 O PRO B 38 -8.670 -3.124 7.678 1.00 0.27 O ATOM 1622 CB PRO B 38 -7.493 -6.069 6.303 1.00 0.33 C ATOM 1623 CG PRO B 38 -7.219 -6.873 7.608 1.00 0.43 C ATOM 1624 CD PRO B 38 -6.528 -5.918 8.608 1.00 0.43 C ATOM 0 HA PRO B 38 -6.481 -4.192 5.790 1.00 0.26 H new ATOM 0 HB2 PRO B 38 -8.542 -6.148 6.016 1.00 0.33 H new ATOM 0 HB3 PRO B 38 -6.905 -6.468 5.476 1.00 0.33 H new ATOM 0 HG2 PRO B 38 -8.151 -7.256 8.025 1.00 0.43 H new ATOM 0 HG3 PRO B 38 -6.585 -7.735 7.401 1.00 0.43 H new ATOM 0 HD2 PRO B 38 -7.098 -5.833 9.533 1.00 0.43 H new ATOM 0 HD3 PRO B 38 -5.535 -6.278 8.878 1.00 0.43 H new ATOM 1632 N ALA B 39 -9.087 -3.617 5.581 1.00 0.23 N ATOM 1633 CA ALA B 39 -10.320 -2.793 5.549 1.00 0.22 C ATOM 1634 C ALA B 39 -11.022 -3.067 4.224 1.00 0.19 C ATOM 1635 O ALA B 39 -10.473 -3.719 3.358 1.00 0.22 O ATOM 1636 CB ALA B 39 -9.952 -1.310 5.641 1.00 0.23 C ATOM 0 H ALA B 39 -8.869 -4.089 4.704 1.00 0.23 H new ATOM 0 HA ALA B 39 -10.971 -3.042 6.387 1.00 0.22 H new ATOM 0 HB1 ALA B 39 -10.860 -0.708 5.617 1.00 0.23 H new ATOM 0 HB2 ALA B 39 -9.418 -1.125 6.573 1.00 0.23 H new ATOM 0 HB3 ALA B 39 -9.315 -1.040 4.798 1.00 0.23 H new ATOM 1642 N VAL B 40 -12.210 -2.560 4.033 1.00 0.15 N ATOM 1643 CA VAL B 40 -12.909 -2.783 2.731 1.00 0.13 C ATOM 1644 C VAL B 40 -12.677 -1.548 1.868 1.00 0.13 C ATOM 1645 O VAL B 40 -12.628 -0.438 2.358 1.00 0.18 O ATOM 1646 CB VAL B 40 -14.411 -2.993 2.966 1.00 0.12 C ATOM 1647 CG1 VAL B 40 -15.173 -2.820 1.646 1.00 0.12 C ATOM 1648 CG2 VAL B 40 -14.643 -4.409 3.489 1.00 0.16 C ATOM 0 H VAL B 40 -12.725 -2.005 4.716 1.00 0.15 H new ATOM 0 HA VAL B 40 -12.521 -3.673 2.235 1.00 0.13 H new ATOM 0 HB VAL B 40 -14.767 -2.261 3.691 1.00 0.12 H new ATOM 0 HG11 VAL B 40 -16.239 -2.970 1.819 1.00 0.12 H new ATOM 0 HG12 VAL B 40 -15.006 -1.815 1.259 1.00 0.12 H new ATOM 0 HG13 VAL B 40 -14.816 -3.552 0.921 1.00 0.12 H new ATOM 0 HG21 VAL B 40 -15.709 -4.564 3.658 1.00 0.16 H new ATOM 0 HG22 VAL B 40 -14.283 -5.131 2.756 1.00 0.16 H new ATOM 0 HG23 VAL B 40 -14.104 -4.544 4.427 1.00 0.16 H new ATOM 1658 N VAL B 41 -12.513 -1.741 0.588 1.00 0.15 N ATOM 1659 CA VAL B 41 -12.258 -0.594 -0.339 1.00 0.16 C ATOM 1660 C VAL B 41 -13.365 -0.538 -1.393 1.00 0.16 C ATOM 1661 O VAL B 41 -13.542 -1.452 -2.166 1.00 0.18 O ATOM 1662 CB VAL B 41 -10.894 -0.804 -1.006 1.00 0.21 C ATOM 1663 CG1 VAL B 41 -10.359 0.519 -1.549 1.00 0.25 C ATOM 1664 CG2 VAL B 41 -9.912 -1.353 0.031 1.00 0.23 C ATOM 0 H VAL B 41 -12.545 -2.655 0.136 1.00 0.15 H new ATOM 0 HA VAL B 41 -12.253 0.348 0.210 1.00 0.16 H new ATOM 0 HB VAL B 41 -11.006 -1.507 -1.832 1.00 0.21 H new ATOM 0 HG11 VAL B 41 -9.390 0.354 -2.020 1.00 0.25 H new ATOM 0 HG12 VAL B 41 -11.056 0.919 -2.285 1.00 0.25 H new ATOM 0 HG13 VAL B 41 -10.248 1.230 -0.730 1.00 0.25 H new ATOM 0 HG21 VAL B 41 -8.938 -1.506 -0.435 1.00 0.23 H new ATOM 0 HG22 VAL B 41 -9.814 -0.642 0.852 1.00 0.23 H new ATOM 0 HG23 VAL B 41 -10.283 -2.303 0.416 1.00 0.23 H new ATOM 1674 N PHE B 42 -14.127 0.522 -1.422 1.00 0.15 N ATOM 1675 CA PHE B 42 -15.239 0.616 -2.416 1.00 0.17 C ATOM 1676 C PHE B 42 -14.761 1.284 -3.706 1.00 0.21 C ATOM 1677 O PHE B 42 -14.064 2.279 -3.687 1.00 0.23 O ATOM 1678 CB PHE B 42 -16.379 1.447 -1.823 1.00 0.16 C ATOM 1679 CG PHE B 42 -17.104 0.634 -0.775 1.00 0.14 C ATOM 1680 CD1 PHE B 42 -17.832 -0.509 -1.155 1.00 0.14 C ATOM 1681 CD2 PHE B 42 -17.056 1.020 0.576 1.00 0.13 C ATOM 1682 CE1 PHE B 42 -18.512 -1.266 -0.184 1.00 0.14 C ATOM 1683 CE2 PHE B 42 -17.736 0.264 1.549 1.00 0.14 C ATOM 1684 CZ PHE B 42 -18.465 -0.880 1.168 1.00 0.14 C ATOM 0 H PHE B 42 -14.029 1.326 -0.802 1.00 0.15 H new ATOM 0 HA PHE B 42 -15.582 -0.393 -2.646 1.00 0.17 H new ATOM 0 HB2 PHE B 42 -15.984 2.361 -1.380 1.00 0.16 H new ATOM 0 HB3 PHE B 42 -17.072 1.747 -2.609 1.00 0.16 H new ATOM 0 HD1 PHE B 42 -17.869 -0.805 -2.193 1.00 0.14 H new ATOM 0 HD2 PHE B 42 -16.497 1.897 0.867 1.00 0.13 H new ATOM 0 HE1 PHE B 42 -19.070 -2.143 -0.476 1.00 0.14 H new ATOM 0 HE2 PHE B 42 -17.699 0.560 2.587 1.00 0.14 H new ATOM 0 HZ PHE B 42 -18.988 -1.460 1.914 1.00 0.14 H new ATOM 1694 N GLN B 43 -15.171 0.752 -4.828 1.00 0.24 N ATOM 1695 CA GLN B 43 -14.795 1.351 -6.142 1.00 0.28 C ATOM 1696 C GLN B 43 -15.983 2.196 -6.607 1.00 0.30 C ATOM 1697 O GLN B 43 -17.088 1.693 -6.733 1.00 0.30 O ATOM 1698 CB GLN B 43 -14.518 0.225 -7.140 1.00 0.32 C ATOM 1699 CG GLN B 43 -13.289 -0.568 -6.692 1.00 0.32 C ATOM 1700 CD GLN B 43 -13.156 -1.827 -7.551 1.00 0.58 C ATOM 1701 OE1 GLN B 43 -13.313 -1.773 -8.755 1.00 1.29 O ATOM 1702 NE2 GLN B 43 -12.871 -2.965 -6.981 1.00 1.31 N ATOM 0 H GLN B 43 -15.757 -0.081 -4.890 1.00 0.24 H new ATOM 0 HA GLN B 43 -13.901 1.969 -6.062 1.00 0.28 H new ATOM 0 HB2 GLN B 43 -15.383 -0.434 -7.209 1.00 0.32 H new ATOM 0 HB3 GLN B 43 -14.353 0.639 -8.135 1.00 0.32 H new ATOM 0 HG2 GLN B 43 -12.393 0.045 -6.785 1.00 0.32 H new ATOM 0 HG3 GLN B 43 -13.381 -0.840 -5.640 1.00 0.32 H new ATOM 0 HE21 GLN B 43 -12.739 -3.010 -5.971 1.00 1.31 H new ATOM 0 HE22 GLN B 43 -12.780 -3.810 -7.546 1.00 1.31 H new ATOM 1711 N THR B 44 -15.797 3.485 -6.816 1.00 0.32 N ATOM 1712 CA THR B 44 -16.969 4.346 -7.211 1.00 0.34 C ATOM 1713 C THR B 44 -17.041 4.557 -8.723 1.00 0.39 C ATOM 1714 O THR B 44 -16.473 3.820 -9.504 1.00 0.41 O ATOM 1715 CB THR B 44 -16.850 5.713 -6.536 1.00 0.34 C ATOM 1716 OG1 THR B 44 -15.968 6.528 -7.290 1.00 0.38 O ATOM 1717 CG2 THR B 44 -16.302 5.539 -5.118 1.00 0.29 C ATOM 0 H THR B 44 -14.904 3.970 -6.733 1.00 0.32 H new ATOM 0 HA THR B 44 -17.874 3.830 -6.891 1.00 0.34 H new ATOM 0 HB THR B 44 -17.832 6.184 -6.485 1.00 0.34 H new ATOM 0 HG1 THR B 44 -16.244 7.465 -7.215 1.00 0.38 H new ATOM 0 HG21 THR B 44 -16.218 6.514 -4.638 1.00 0.29 H new ATOM 0 HG22 THR B 44 -16.978 4.908 -4.541 1.00 0.29 H new ATOM 0 HG23 THR B 44 -15.319 5.071 -5.163 1.00 0.29 H new ATOM 1725 N LYS B 45 -17.769 5.574 -9.128 1.00 0.43 N ATOM 1726 CA LYS B 45 -17.939 5.882 -10.580 1.00 0.48 C ATOM 1727 C LYS B 45 -17.135 7.136 -10.948 1.00 0.51 C ATOM 1728 O LYS B 45 -16.824 7.358 -12.102 1.00 0.56 O ATOM 1729 CB LYS B 45 -19.423 6.146 -10.866 1.00 0.50 C ATOM 1730 CG LYS B 45 -20.288 5.079 -10.192 1.00 0.46 C ATOM 1731 CD LYS B 45 -21.765 5.382 -10.463 1.00 0.49 C ATOM 1732 CE LYS B 45 -22.621 4.169 -10.091 1.00 0.54 C ATOM 1733 NZ LYS B 45 -24.042 4.593 -9.939 1.00 1.55 N ATOM 0 H LYS B 45 -18.259 6.211 -8.500 1.00 0.43 H new ATOM 0 HA LYS B 45 -17.583 5.037 -11.169 1.00 0.48 H new ATOM 0 HB2 LYS B 45 -19.701 7.135 -10.501 1.00 0.50 H new ATOM 0 HB3 LYS B 45 -19.600 6.142 -11.942 1.00 0.50 H new ATOM 0 HG2 LYS B 45 -20.031 4.091 -10.574 1.00 0.46 H new ATOM 0 HG3 LYS B 45 -20.098 5.065 -9.119 1.00 0.46 H new ATOM 0 HD2 LYS B 45 -22.079 6.251 -9.885 1.00 0.49 H new ATOM 0 HD3 LYS B 45 -21.908 5.630 -11.515 1.00 0.49 H new ATOM 0 HE2 LYS B 45 -22.539 3.402 -10.862 1.00 0.54 H new ATOM 0 HE3 LYS B 45 -22.261 3.727 -9.162 1.00 0.54 H new ATOM 0 HZ1 LYS B 45 -24.601 3.804 -9.556 1.00 1.55 H new ATOM 0 HZ2 LYS B 45 -24.095 5.403 -9.288 1.00 1.55 H new ATOM 0 HZ3 LYS B 45 -24.423 4.869 -10.867 1.00 1.55 H new ATOM 1747 N ARG B 46 -16.803 7.960 -9.979 1.00 0.50 N ATOM 1748 CA ARG B 46 -16.022 9.211 -10.273 1.00 0.54 C ATOM 1749 C ARG B 46 -14.868 9.317 -9.278 1.00 0.49 C ATOM 1750 O ARG B 46 -14.674 10.319 -8.623 1.00 0.48 O ATOM 1751 CB ARG B 46 -16.952 10.436 -10.153 1.00 0.59 C ATOM 1752 CG ARG B 46 -16.212 11.781 -10.380 1.00 0.72 C ATOM 1753 CD ARG B 46 -15.103 11.662 -11.435 1.00 0.92 C ATOM 1754 NE ARG B 46 -15.662 11.072 -12.684 1.00 1.48 N ATOM 1755 CZ ARG B 46 -14.989 11.147 -13.800 1.00 2.13 C ATOM 1756 NH1 ARG B 46 -13.825 11.737 -13.821 1.00 2.62 N ATOM 1757 NH2 ARG B 46 -15.479 10.631 -14.893 1.00 2.82 N ATOM 0 H ARG B 46 -17.039 7.821 -8.996 1.00 0.50 H new ATOM 0 HA ARG B 46 -15.620 9.176 -11.286 1.00 0.54 H new ATOM 0 HB2 ARG B 46 -17.760 10.345 -10.879 1.00 0.59 H new ATOM 0 HB3 ARG B 46 -17.411 10.442 -9.164 1.00 0.59 H new ATOM 0 HG2 ARG B 46 -16.929 12.540 -10.693 1.00 0.72 H new ATOM 0 HG3 ARG B 46 -15.780 12.120 -9.438 1.00 0.72 H new ATOM 0 HD2 ARG B 46 -14.678 12.644 -11.643 1.00 0.92 H new ATOM 0 HD3 ARG B 46 -14.293 11.038 -11.057 1.00 0.92 H new ATOM 0 HE ARG B 46 -16.571 10.609 -12.667 1.00 1.48 H new ATOM 0 HH11 ARG B 46 -13.442 12.139 -12.966 1.00 2.62 H new ATOM 0 HH12 ARG B 46 -13.299 11.796 -14.693 1.00 2.62 H new ATOM 0 HH21 ARG B 46 -16.388 10.169 -14.876 1.00 2.82 H new ATOM 0 HH22 ARG B 46 -14.953 10.690 -15.765 1.00 2.82 H new ATOM 1771 N SER B 47 -14.085 8.290 -9.177 1.00 0.46 N ATOM 1772 CA SER B 47 -12.931 8.327 -8.260 1.00 0.42 C ATOM 1773 C SER B 47 -12.049 7.128 -8.575 1.00 0.42 C ATOM 1774 O SER B 47 -11.602 6.948 -9.690 1.00 0.46 O ATOM 1775 CB SER B 47 -13.405 8.282 -6.802 1.00 0.38 C ATOM 1776 OG SER B 47 -13.852 6.972 -6.483 1.00 1.07 O ATOM 0 H SER B 47 -14.198 7.419 -9.696 1.00 0.46 H new ATOM 0 HA SER B 47 -12.369 9.251 -8.393 1.00 0.42 H new ATOM 0 HB2 SER B 47 -12.592 8.571 -6.136 1.00 0.38 H new ATOM 0 HB3 SER B 47 -14.212 8.999 -6.650 1.00 0.38 H new ATOM 0 HG SER B 47 -14.781 6.863 -6.776 1.00 1.07 H new ATOM 1782 N LYS B 48 -11.819 6.300 -7.614 1.00 0.38 N ATOM 1783 CA LYS B 48 -10.989 5.096 -7.839 1.00 0.40 C ATOM 1784 C LYS B 48 -11.315 4.105 -6.738 1.00 0.35 C ATOM 1785 O LYS B 48 -12.262 3.348 -6.823 1.00 0.34 O ATOM 1786 CB LYS B 48 -9.498 5.460 -7.770 1.00 0.44 C ATOM 1787 CG LYS B 48 -9.096 6.281 -9.002 1.00 1.11 C ATOM 1788 CD LYS B 48 -7.572 6.278 -9.150 1.00 1.38 C ATOM 1789 CE LYS B 48 -7.174 7.052 -10.410 1.00 2.13 C ATOM 1790 NZ LYS B 48 -5.785 6.681 -10.802 1.00 2.73 N ATOM 0 H LYS B 48 -12.175 6.405 -6.664 1.00 0.38 H new ATOM 0 HA LYS B 48 -11.196 4.673 -8.822 1.00 0.40 H new ATOM 0 HB2 LYS B 48 -9.297 6.030 -6.863 1.00 0.44 H new ATOM 0 HB3 LYS B 48 -8.897 4.552 -7.717 1.00 0.44 H new ATOM 0 HG2 LYS B 48 -9.559 5.863 -9.896 1.00 1.11 H new ATOM 0 HG3 LYS B 48 -9.459 7.304 -8.904 1.00 1.11 H new ATOM 0 HD2 LYS B 48 -7.111 6.731 -8.272 1.00 1.38 H new ATOM 0 HD3 LYS B 48 -7.205 5.253 -9.210 1.00 1.38 H new ATOM 0 HE2 LYS B 48 -7.865 6.826 -11.222 1.00 2.13 H new ATOM 0 HE3 LYS B 48 -7.237 8.125 -10.226 1.00 2.13 H new ATOM 0 HZ1 LYS B 48 -5.514 7.206 -11.658 1.00 2.73 H new ATOM 0 HZ2 LYS B 48 -5.131 6.918 -10.029 1.00 2.73 H new ATOM 0 HZ3 LYS B 48 -5.739 5.660 -10.994 1.00 2.73 H new ATOM 1804 N GLN B 49 -10.537 4.133 -5.690 1.00 0.33 N ATOM 1805 CA GLN B 49 -10.757 3.223 -4.532 1.00 0.30 C ATOM 1806 C GLN B 49 -10.967 4.075 -3.270 1.00 0.25 C ATOM 1807 O GLN B 49 -10.377 5.128 -3.113 1.00 0.26 O ATOM 1808 CB GLN B 49 -9.506 2.336 -4.375 1.00 0.35 C ATOM 1809 CG GLN B 49 -9.707 0.996 -5.095 1.00 0.82 C ATOM 1810 CD GLN B 49 -8.406 0.191 -5.048 1.00 0.89 C ATOM 1811 OE1 GLN B 49 -7.344 0.744 -4.843 1.00 1.53 O ATOM 1812 NE2 GLN B 49 -8.445 -1.100 -5.233 1.00 1.52 N ATOM 0 H GLN B 49 -9.741 4.763 -5.587 1.00 0.33 H new ATOM 0 HA GLN B 49 -11.634 2.594 -4.687 1.00 0.30 H new ATOM 0 HB2 GLN B 49 -8.635 2.849 -4.784 1.00 0.35 H new ATOM 0 HB3 GLN B 49 -9.306 2.162 -3.318 1.00 0.35 H new ATOM 0 HG2 GLN B 49 -10.512 0.434 -4.622 1.00 0.82 H new ATOM 0 HG3 GLN B 49 -10.004 1.168 -6.130 1.00 0.82 H new ATOM 0 HE21 GLN B 49 -9.337 -1.564 -5.405 1.00 1.52 H new ATOM 0 HE22 GLN B 49 -7.583 -1.645 -5.206 1.00 1.52 H new ATOM 1821 N VAL B 50 -11.802 3.623 -2.370 1.00 0.23 N ATOM 1822 CA VAL B 50 -12.056 4.391 -1.110 1.00 0.19 C ATOM 1823 C VAL B 50 -12.088 3.419 0.061 1.00 0.16 C ATOM 1824 O VAL B 50 -12.889 2.511 0.100 1.00 0.15 O ATOM 1825 CB VAL B 50 -13.400 5.117 -1.207 1.00 0.22 C ATOM 1826 CG1 VAL B 50 -13.510 6.132 -0.065 1.00 0.24 C ATOM 1827 CG2 VAL B 50 -13.490 5.836 -2.557 1.00 0.31 C ATOM 0 H VAL B 50 -12.323 2.750 -2.453 1.00 0.23 H new ATOM 0 HA VAL B 50 -11.264 5.126 -0.963 1.00 0.19 H new ATOM 0 HB VAL B 50 -14.216 4.399 -1.128 1.00 0.22 H new ATOM 0 HG11 VAL B 50 -14.466 6.651 -0.131 1.00 0.24 H new ATOM 0 HG12 VAL B 50 -13.444 5.613 0.891 1.00 0.24 H new ATOM 0 HG13 VAL B 50 -12.698 6.855 -0.142 1.00 0.24 H new ATOM 0 HG21 VAL B 50 -14.446 6.354 -2.630 1.00 0.31 H new ATOM 0 HG22 VAL B 50 -12.678 6.559 -2.639 1.00 0.31 H new ATOM 0 HG23 VAL B 50 -13.410 5.107 -3.363 1.00 0.31 H new ATOM 1837 N CYS B 51 -11.224 3.604 1.016 1.00 0.16 N ATOM 1838 CA CYS B 51 -11.195 2.683 2.183 1.00 0.15 C ATOM 1839 C CYS B 51 -12.414 2.944 3.062 1.00 0.14 C ATOM 1840 O CYS B 51 -12.940 4.037 3.107 1.00 0.16 O ATOM 1841 CB CYS B 51 -9.921 2.934 2.988 1.00 0.17 C ATOM 1842 SG CYS B 51 -8.476 2.563 1.963 1.00 0.21 S ATOM 0 H CYS B 51 -10.535 4.355 1.039 1.00 0.16 H new ATOM 0 HA CYS B 51 -11.211 1.649 1.838 1.00 0.15 H new ATOM 0 HB2 CYS B 51 -9.887 3.971 3.321 1.00 0.17 H new ATOM 0 HB3 CYS B 51 -9.915 2.311 3.883 1.00 0.17 H new ATOM 1847 N ALA B 52 -12.877 1.937 3.756 1.00 0.12 N ATOM 1848 CA ALA B 52 -14.076 2.112 4.629 1.00 0.13 C ATOM 1849 C ALA B 52 -13.912 1.279 5.902 1.00 0.15 C ATOM 1850 O ALA B 52 -13.494 0.136 5.861 1.00 0.15 O ATOM 1851 CB ALA B 52 -15.319 1.640 3.872 1.00 0.11 C ATOM 0 H ALA B 52 -12.476 0.999 3.756 1.00 0.12 H new ATOM 0 HA ALA B 52 -14.182 3.163 4.897 1.00 0.13 H new ATOM 0 HB1 ALA B 52 -16.199 1.765 4.503 1.00 0.11 H new ATOM 0 HB2 ALA B 52 -15.438 2.230 2.963 1.00 0.11 H new ATOM 0 HB3 ALA B 52 -15.207 0.588 3.609 1.00 0.11 H new ATOM 1857 N ASP B 53 -14.241 1.845 7.032 1.00 0.18 N ATOM 1858 CA ASP B 53 -14.108 1.095 8.314 1.00 0.22 C ATOM 1859 C ASP B 53 -15.143 -0.059 8.343 1.00 0.21 C ATOM 1860 O ASP B 53 -16.326 0.214 8.303 1.00 0.22 O ATOM 1861 CB ASP B 53 -14.403 2.045 9.477 1.00 0.27 C ATOM 1862 CG ASP B 53 -13.535 3.298 9.349 1.00 1.35 C ATOM 1863 OD1 ASP B 53 -13.740 4.043 8.405 1.00 2.10 O ATOM 1864 OD2 ASP B 53 -12.680 3.492 10.199 1.00 2.17 O ATOM 0 H ASP B 53 -14.597 2.797 7.123 1.00 0.18 H new ATOM 0 HA ASP B 53 -13.099 0.692 8.400 1.00 0.22 H new ATOM 0 HB2 ASP B 53 -15.458 2.320 9.477 1.00 0.27 H new ATOM 0 HB3 ASP B 53 -14.203 1.547 10.426 1.00 0.27 H new ATOM 1869 N PRO B 54 -14.710 -1.314 8.413 1.00 0.22 N ATOM 1870 CA PRO B 54 -15.669 -2.441 8.443 1.00 0.24 C ATOM 1871 C PRO B 54 -16.586 -2.333 9.673 1.00 0.28 C ATOM 1872 O PRO B 54 -17.520 -3.095 9.830 1.00 0.30 O ATOM 1873 CB PRO B 54 -14.795 -3.715 8.517 1.00 0.27 C ATOM 1874 CG PRO B 54 -13.305 -3.265 8.526 1.00 0.27 C ATOM 1875 CD PRO B 54 -13.283 -1.721 8.461 1.00 0.24 C ATOM 0 HA PRO B 54 -16.320 -2.449 7.569 1.00 0.24 H new ATOM 0 HB2 PRO B 54 -15.027 -4.287 9.415 1.00 0.27 H new ATOM 0 HB3 PRO B 54 -14.993 -4.365 7.665 1.00 0.27 H new ATOM 0 HG2 PRO B 54 -12.804 -3.617 9.428 1.00 0.27 H new ATOM 0 HG3 PRO B 54 -12.771 -3.692 7.677 1.00 0.27 H new ATOM 0 HD2 PRO B 54 -12.782 -1.297 9.331 1.00 0.24 H new ATOM 0 HD3 PRO B 54 -12.744 -1.371 7.581 1.00 0.24 H new ATOM 1883 N SER B 55 -16.315 -1.410 10.550 1.00 0.31 N ATOM 1884 CA SER B 55 -17.157 -1.274 11.776 1.00 0.36 C ATOM 1885 C SER B 55 -18.475 -0.566 11.441 1.00 0.36 C ATOM 1886 O SER B 55 -19.434 -0.647 12.183 1.00 0.40 O ATOM 1887 CB SER B 55 -16.397 -0.460 12.822 1.00 0.40 C ATOM 1888 OG SER B 55 -17.269 -0.158 13.904 1.00 1.42 O ATOM 0 H SER B 55 -15.548 -0.742 10.474 1.00 0.31 H new ATOM 0 HA SER B 55 -17.379 -2.267 12.166 1.00 0.36 H new ATOM 0 HB2 SER B 55 -15.534 -1.021 13.180 1.00 0.40 H new ATOM 0 HB3 SER B 55 -16.017 0.460 12.378 1.00 0.40 H new ATOM 0 HG SER B 55 -16.785 0.363 14.578 1.00 1.42 H new ATOM 1894 N GLU B 56 -18.536 0.128 10.338 1.00 0.33 N ATOM 1895 CA GLU B 56 -19.801 0.835 9.975 1.00 0.33 C ATOM 1896 C GLU B 56 -20.770 -0.155 9.315 1.00 0.33 C ATOM 1897 O GLU B 56 -20.468 -0.772 8.315 1.00 0.29 O ATOM 1898 CB GLU B 56 -19.482 1.981 9.011 1.00 0.31 C ATOM 1899 CG GLU B 56 -18.949 3.185 9.794 1.00 0.35 C ATOM 1900 CD GLU B 56 -18.367 4.211 8.820 1.00 1.30 C ATOM 1901 OE1 GLU B 56 -18.157 3.856 7.672 1.00 2.01 O ATOM 1902 OE2 GLU B 56 -18.141 5.334 9.239 1.00 2.08 O ATOM 0 H GLU B 56 -17.770 0.237 9.674 1.00 0.33 H new ATOM 0 HA GLU B 56 -20.267 1.242 10.873 1.00 0.33 H new ATOM 0 HB2 GLU B 56 -18.744 1.657 8.278 1.00 0.31 H new ATOM 0 HB3 GLU B 56 -20.378 2.263 8.458 1.00 0.31 H new ATOM 0 HG2 GLU B 56 -19.751 3.636 10.378 1.00 0.35 H new ATOM 0 HG3 GLU B 56 -18.183 2.863 10.500 1.00 0.35 H new ATOM 1909 N SER B 57 -21.929 -0.314 9.890 1.00 0.37 N ATOM 1910 CA SER B 57 -22.937 -1.267 9.341 1.00 0.38 C ATOM 1911 C SER B 57 -23.160 -1.055 7.837 1.00 0.35 C ATOM 1912 O SER B 57 -23.289 -2.004 7.089 1.00 0.34 O ATOM 1913 CB SER B 57 -24.263 -1.071 10.075 1.00 0.44 C ATOM 1914 OG SER B 57 -24.723 0.257 9.866 1.00 1.37 O ATOM 0 H SER B 57 -22.226 0.183 10.730 1.00 0.37 H new ATOM 0 HA SER B 57 -22.560 -2.279 9.488 1.00 0.38 H new ATOM 0 HB2 SER B 57 -25.002 -1.785 9.712 1.00 0.44 H new ATOM 0 HB3 SER B 57 -24.133 -1.260 11.141 1.00 0.44 H new ATOM 0 HG SER B 57 -25.574 0.386 10.334 1.00 1.37 H new ATOM 1920 N TRP B 58 -23.234 0.166 7.384 1.00 0.34 N ATOM 1921 CA TRP B 58 -23.479 0.391 5.929 1.00 0.32 C ATOM 1922 C TRP B 58 -22.377 -0.281 5.114 1.00 0.27 C ATOM 1923 O TRP B 58 -22.595 -0.724 4.005 1.00 0.27 O ATOM 1924 CB TRP B 58 -23.572 1.891 5.631 1.00 0.34 C ATOM 1925 CG TRP B 58 -22.230 2.538 5.578 1.00 0.31 C ATOM 1926 CD1 TRP B 58 -21.728 3.348 6.537 1.00 0.32 C ATOM 1927 CD2 TRP B 58 -21.238 2.505 4.510 1.00 0.27 C ATOM 1928 NE1 TRP B 58 -20.493 3.814 6.132 1.00 0.29 N ATOM 1929 CE2 TRP B 58 -20.137 3.316 4.897 1.00 0.26 C ATOM 1930 CE3 TRP B 58 -21.178 1.853 3.256 1.00 0.27 C ATOM 1931 CZ2 TRP B 58 -19.018 3.478 4.070 1.00 0.25 C ATOM 1932 CZ3 TRP B 58 -20.053 2.014 2.421 1.00 0.27 C ATOM 1933 CH2 TRP B 58 -18.975 2.823 2.830 1.00 0.26 C ATOM 0 H TRP B 58 -23.137 1.009 7.949 1.00 0.34 H new ATOM 0 HA TRP B 58 -24.431 -0.057 5.645 1.00 0.32 H new ATOM 0 HB2 TRP B 58 -24.083 2.040 4.680 1.00 0.34 H new ATOM 0 HB3 TRP B 58 -24.177 2.375 6.397 1.00 0.34 H new ATOM 0 HD1 TRP B 58 -22.215 3.591 7.470 1.00 0.32 H new ATOM 0 HE1 TRP B 58 -19.914 4.450 6.680 1.00 0.29 H new ATOM 0 HE3 TRP B 58 -21.999 1.228 2.936 1.00 0.27 H new ATOM 0 HZ2 TRP B 58 -18.195 4.102 4.384 1.00 0.25 H new ATOM 0 HZ3 TRP B 58 -20.018 1.515 1.464 1.00 0.27 H new ATOM 0 HH2 TRP B 58 -18.114 2.939 2.188 1.00 0.26 H new ATOM 1944 N VAL B 59 -21.203 -0.392 5.661 1.00 0.24 N ATOM 1945 CA VAL B 59 -20.108 -1.065 4.915 1.00 0.20 C ATOM 1946 C VAL B 59 -20.435 -2.549 4.795 1.00 0.22 C ATOM 1947 O VAL B 59 -20.370 -3.126 3.730 1.00 0.21 O ATOM 1948 CB VAL B 59 -18.797 -0.879 5.674 1.00 0.19 C ATOM 1949 CG1 VAL B 59 -17.655 -1.578 4.931 1.00 0.18 C ATOM 1950 CG2 VAL B 59 -18.508 0.617 5.782 1.00 0.19 C ATOM 0 H VAL B 59 -20.954 -0.048 6.588 1.00 0.24 H new ATOM 0 HA VAL B 59 -20.008 -0.634 3.919 1.00 0.20 H new ATOM 0 HB VAL B 59 -18.880 -1.317 6.669 1.00 0.19 H new ATOM 0 HG11 VAL B 59 -16.724 -1.439 5.481 1.00 0.18 H new ATOM 0 HG12 VAL B 59 -17.872 -2.643 4.849 1.00 0.18 H new ATOM 0 HG13 VAL B 59 -17.554 -1.150 3.934 1.00 0.18 H new ATOM 0 HG21 VAL B 59 -17.574 0.769 6.322 1.00 0.19 H new ATOM 0 HG22 VAL B 59 -18.423 1.044 4.783 1.00 0.19 H new ATOM 0 HG23 VAL B 59 -19.321 1.107 6.318 1.00 0.19 H new ATOM 1960 N GLN B 60 -20.798 -3.167 5.879 1.00 0.25 N ATOM 1961 CA GLN B 60 -21.143 -4.616 5.824 1.00 0.28 C ATOM 1962 C GLN B 60 -22.388 -4.811 4.953 1.00 0.30 C ATOM 1963 O GLN B 60 -22.473 -5.739 4.172 1.00 0.31 O ATOM 1964 CB GLN B 60 -21.422 -5.130 7.238 1.00 0.33 C ATOM 1965 CG GLN B 60 -21.589 -6.650 7.205 1.00 1.25 C ATOM 1966 CD GLN B 60 -21.849 -7.166 8.622 1.00 1.65 C ATOM 1967 OE1 GLN B 60 -20.986 -7.093 9.475 1.00 2.33 O ATOM 1968 NE2 GLN B 60 -23.009 -7.687 8.912 1.00 2.14 N ATOM 0 H GLN B 60 -20.872 -2.736 6.800 1.00 0.25 H new ATOM 0 HA GLN B 60 -20.309 -5.172 5.395 1.00 0.28 H new ATOM 0 HB2 GLN B 60 -20.603 -4.858 7.903 1.00 0.33 H new ATOM 0 HB3 GLN B 60 -22.323 -4.663 7.635 1.00 0.33 H new ATOM 0 HG2 GLN B 60 -22.417 -6.921 6.550 1.00 1.25 H new ATOM 0 HG3 GLN B 60 -20.693 -7.116 6.796 1.00 1.25 H new ATOM 0 HE21 GLN B 60 -23.734 -7.749 8.197 1.00 2.14 H new ATOM 0 HE22 GLN B 60 -23.192 -8.033 9.854 1.00 2.14 H new ATOM 1977 N GLU B 61 -23.354 -3.946 5.086 1.00 0.31 N ATOM 1978 CA GLU B 61 -24.599 -4.079 4.273 1.00 0.33 C ATOM 1979 C GLU B 61 -24.275 -3.892 2.788 1.00 0.31 C ATOM 1980 O GLU B 61 -24.689 -4.669 1.951 1.00 0.32 O ATOM 1981 CB GLU B 61 -25.608 -3.016 4.711 1.00 0.35 C ATOM 1982 CG GLU B 61 -26.952 -3.271 4.025 1.00 0.40 C ATOM 1983 CD GLU B 61 -27.968 -2.225 4.483 1.00 1.29 C ATOM 1984 OE1 GLU B 61 -28.133 -2.074 5.683 1.00 1.99 O ATOM 1985 OE2 GLU B 61 -28.564 -1.592 3.627 1.00 2.03 O ATOM 0 H GLU B 61 -23.337 -3.150 5.724 1.00 0.31 H new ATOM 0 HA GLU B 61 -25.022 -5.072 4.425 1.00 0.33 H new ATOM 0 HB2 GLU B 61 -25.730 -3.040 5.794 1.00 0.35 H new ATOM 0 HB3 GLU B 61 -25.240 -2.023 4.454 1.00 0.35 H new ATOM 0 HG2 GLU B 61 -26.833 -3.228 2.942 1.00 0.40 H new ATOM 0 HG3 GLU B 61 -27.311 -4.271 4.266 1.00 0.40 H new ATOM 1992 N TYR B 62 -23.545 -2.865 2.457 1.00 0.28 N ATOM 1993 CA TYR B 62 -23.200 -2.625 1.026 1.00 0.28 C ATOM 1994 C TYR B 62 -22.362 -3.792 0.493 1.00 0.28 C ATOM 1995 O TYR B 62 -22.499 -4.193 -0.645 1.00 0.30 O ATOM 1996 CB TYR B 62 -22.404 -1.312 0.896 1.00 0.25 C ATOM 1997 CG TYR B 62 -23.341 -0.116 0.861 1.00 0.27 C ATOM 1998 CD1 TYR B 62 -24.350 0.040 1.835 1.00 0.29 C ATOM 1999 CD2 TYR B 62 -23.196 0.851 -0.157 1.00 0.27 C ATOM 2000 CE1 TYR B 62 -25.207 1.158 1.789 1.00 0.32 C ATOM 2001 CE2 TYR B 62 -24.054 1.966 -0.200 1.00 0.29 C ATOM 2002 CZ TYR B 62 -25.059 2.119 0.772 1.00 0.31 C ATOM 2003 OH TYR B 62 -25.899 3.213 0.729 1.00 0.34 O ATOM 0 H TYR B 62 -23.171 -2.180 3.114 1.00 0.28 H new ATOM 0 HA TYR B 62 -24.118 -2.547 0.444 1.00 0.28 H new ATOM 0 HB2 TYR B 62 -21.714 -1.215 1.734 1.00 0.25 H new ATOM 0 HB3 TYR B 62 -21.801 -1.335 -0.012 1.00 0.25 H new ATOM 0 HD1 TYR B 62 -24.466 -0.697 2.616 1.00 0.29 H new ATOM 0 HD2 TYR B 62 -22.425 0.735 -0.904 1.00 0.27 H new ATOM 0 HE1 TYR B 62 -25.978 1.277 2.535 1.00 0.32 H new ATOM 0 HE2 TYR B 62 -23.941 2.704 -0.980 1.00 0.29 H new ATOM 0 HH TYR B 62 -25.661 3.779 -0.035 1.00 0.34 H new ATOM 2013 N VAL B 63 -21.503 -4.348 1.303 1.00 0.27 N ATOM 2014 CA VAL B 63 -20.679 -5.490 0.828 1.00 0.28 C ATOM 2015 C VAL B 63 -21.605 -6.667 0.561 1.00 0.32 C ATOM 2016 O VAL B 63 -21.465 -7.379 -0.411 1.00 0.34 O ATOM 2017 CB VAL B 63 -19.652 -5.861 1.904 1.00 0.28 C ATOM 2018 CG1 VAL B 63 -18.998 -7.205 1.564 1.00 0.32 C ATOM 2019 CG2 VAL B 63 -18.574 -4.775 1.972 1.00 0.25 C ATOM 0 H VAL B 63 -21.338 -4.061 2.268 1.00 0.27 H new ATOM 0 HA VAL B 63 -20.147 -5.223 -0.085 1.00 0.28 H new ATOM 0 HB VAL B 63 -20.156 -5.942 2.867 1.00 0.28 H new ATOM 0 HG11 VAL B 63 -18.270 -7.460 2.334 1.00 0.32 H new ATOM 0 HG12 VAL B 63 -19.763 -7.980 1.516 1.00 0.32 H new ATOM 0 HG13 VAL B 63 -18.496 -7.131 0.600 1.00 0.32 H new ATOM 0 HG21 VAL B 63 -17.842 -5.036 2.736 1.00 0.25 H new ATOM 0 HG22 VAL B 63 -18.076 -4.695 1.005 1.00 0.25 H new ATOM 0 HG23 VAL B 63 -19.035 -3.820 2.223 1.00 0.25 H new ATOM 2029 N TYR B 64 -22.555 -6.871 1.424 1.00 0.34 N ATOM 2030 CA TYR B 64 -23.499 -7.997 1.233 1.00 0.38 C ATOM 2031 C TYR B 64 -24.266 -7.789 -0.069 1.00 0.39 C ATOM 2032 O TYR B 64 -24.469 -8.703 -0.842 1.00 0.41 O ATOM 2033 CB TYR B 64 -24.482 -8.037 2.408 1.00 0.41 C ATOM 2034 CG TYR B 64 -25.150 -9.393 2.470 1.00 0.46 C ATOM 2035 CD1 TYR B 64 -24.438 -10.506 2.957 1.00 0.48 C ATOM 2036 CD2 TYR B 64 -26.483 -9.543 2.043 1.00 0.49 C ATOM 2037 CE1 TYR B 64 -25.058 -11.769 3.016 1.00 0.52 C ATOM 2038 CE2 TYR B 64 -27.104 -10.805 2.101 1.00 0.54 C ATOM 2039 CZ TYR B 64 -26.392 -11.918 2.588 1.00 0.55 C ATOM 2040 OH TYR B 64 -27.000 -13.155 2.645 1.00 0.60 O ATOM 0 H TYR B 64 -22.718 -6.304 2.256 1.00 0.34 H new ATOM 0 HA TYR B 64 -22.951 -8.938 1.188 1.00 0.38 H new ATOM 0 HB2 TYR B 64 -23.956 -7.837 3.341 1.00 0.41 H new ATOM 0 HB3 TYR B 64 -25.233 -7.256 2.292 1.00 0.41 H new ATOM 0 HD1 TYR B 64 -23.416 -10.391 3.286 1.00 0.48 H new ATOM 0 HD2 TYR B 64 -27.030 -8.689 1.671 1.00 0.49 H new ATOM 0 HE1 TYR B 64 -24.511 -12.623 3.389 1.00 0.52 H new ATOM 0 HE2 TYR B 64 -28.126 -10.920 1.772 1.00 0.54 H new ATOM 0 HH TYR B 64 -27.919 -13.083 2.314 1.00 0.60 H new ATOM 2050 N ASP B 65 -24.692 -6.585 -0.309 1.00 0.36 N ATOM 2051 CA ASP B 65 -25.453 -6.291 -1.555 1.00 0.37 C ATOM 2052 C ASP B 65 -24.573 -6.582 -2.775 1.00 0.37 C ATOM 2053 O ASP B 65 -25.044 -7.026 -3.802 1.00 0.40 O ATOM 2054 CB ASP B 65 -25.861 -4.815 -1.554 1.00 0.35 C ATOM 2055 CG ASP B 65 -27.078 -4.615 -0.647 1.00 0.39 C ATOM 2056 OD1 ASP B 65 -27.246 -5.404 0.269 1.00 1.15 O ATOM 2057 OD2 ASP B 65 -27.820 -3.676 -0.883 1.00 1.11 O ATOM 0 H ASP B 65 -24.546 -5.785 0.307 1.00 0.36 H new ATOM 0 HA ASP B 65 -26.344 -6.918 -1.600 1.00 0.37 H new ATOM 0 HB2 ASP B 65 -25.032 -4.199 -1.206 1.00 0.35 H new ATOM 0 HB3 ASP B 65 -26.095 -4.492 -2.568 1.00 0.35 H new ATOM 2062 N LEU B 66 -23.300 -6.332 -2.665 1.00 0.33 N ATOM 2063 CA LEU B 66 -22.383 -6.589 -3.812 1.00 0.34 C ATOM 2064 C LEU B 66 -22.195 -8.099 -3.989 1.00 0.39 C ATOM 2065 O LEU B 66 -21.983 -8.584 -5.082 1.00 0.42 O ATOM 2066 CB LEU B 66 -21.032 -5.921 -3.523 1.00 0.31 C ATOM 2067 CG LEU B 66 -21.100 -4.414 -3.852 1.00 0.28 C ATOM 2068 CD1 LEU B 66 -20.003 -3.668 -3.089 1.00 0.24 C ATOM 2069 CD2 LEU B 66 -20.884 -4.186 -5.358 1.00 0.30 C ATOM 0 H LEU B 66 -22.852 -5.959 -1.828 1.00 0.33 H new ATOM 0 HA LEU B 66 -22.805 -6.178 -4.729 1.00 0.34 H new ATOM 0 HB2 LEU B 66 -20.766 -6.060 -2.475 1.00 0.31 H new ATOM 0 HB3 LEU B 66 -20.250 -6.395 -4.116 1.00 0.31 H new ATOM 0 HG LEU B 66 -22.083 -4.043 -3.561 1.00 0.28 H new ATOM 0 HD11 LEU B 66 -20.055 -2.605 -3.324 1.00 0.24 H new ATOM 0 HD12 LEU B 66 -20.144 -3.810 -2.018 1.00 0.24 H new ATOM 0 HD13 LEU B 66 -19.028 -4.057 -3.381 1.00 0.24 H new ATOM 0 HD21 LEU B 66 -20.935 -3.119 -5.575 1.00 0.30 H new ATOM 0 HD22 LEU B 66 -19.906 -4.569 -5.647 1.00 0.30 H new ATOM 0 HD23 LEU B 66 -21.659 -4.708 -5.920 1.00 0.30 H new ATOM 2081 N GLU B 67 -22.277 -8.843 -2.924 1.00 0.40 N ATOM 2082 CA GLU B 67 -22.109 -10.322 -3.033 1.00 0.45 C ATOM 2083 C GLU B 67 -23.349 -10.917 -3.698 1.00 0.50 C ATOM 2084 O GLU B 67 -23.292 -11.949 -4.337 1.00 0.55 O ATOM 2085 CB GLU B 67 -21.952 -10.923 -1.636 1.00 0.46 C ATOM 2086 CG GLU B 67 -20.588 -10.537 -1.072 1.00 0.44 C ATOM 2087 CD GLU B 67 -20.346 -11.285 0.240 1.00 1.13 C ATOM 2088 OE1 GLU B 67 -21.140 -12.155 0.559 1.00 1.81 O ATOM 2089 OE2 GLU B 67 -19.372 -10.974 0.906 1.00 1.88 O ATOM 0 H GLU B 67 -22.453 -8.494 -1.982 1.00 0.40 H new ATOM 0 HA GLU B 67 -21.223 -10.547 -3.627 1.00 0.45 H new ATOM 0 HB2 GLU B 67 -22.745 -10.562 -0.981 1.00 0.46 H new ATOM 0 HB3 GLU B 67 -22.046 -12.008 -1.682 1.00 0.46 H new ATOM 0 HG2 GLU B 67 -19.804 -10.779 -1.790 1.00 0.44 H new ATOM 0 HG3 GLU B 67 -20.544 -9.461 -0.903 1.00 0.44 H new ATOM 2096 N LEU B 68 -24.468 -10.269 -3.552 1.00 0.49 N ATOM 2097 CA LEU B 68 -25.718 -10.788 -4.177 1.00 0.54 C ATOM 2098 C LEU B 68 -25.703 -10.479 -5.676 1.00 0.56 C ATOM 2099 O LEU B 68 -24.915 -11.025 -6.422 1.00 0.62 O ATOM 2100 CB LEU B 68 -26.932 -10.123 -3.532 1.00 0.55 C ATOM 2101 CG LEU B 68 -27.014 -10.508 -2.051 1.00 0.55 C ATOM 2102 CD1 LEU B 68 -28.169 -9.743 -1.416 1.00 0.56 C ATOM 2103 CD2 LEU B 68 -27.251 -12.025 -1.898 1.00 0.61 C ATOM 0 H LEU B 68 -24.573 -9.401 -3.027 1.00 0.49 H new ATOM 0 HA LEU B 68 -25.776 -11.866 -4.026 1.00 0.54 H new ATOM 0 HB2 LEU B 68 -26.860 -9.040 -3.631 1.00 0.55 H new ATOM 0 HB3 LEU B 68 -27.842 -10.430 -4.047 1.00 0.55 H new ATOM 0 HG LEU B 68 -26.075 -10.256 -1.558 1.00 0.55 H new ATOM 0 HD11 LEU B 68 -28.242 -10.005 -0.361 1.00 0.56 H new ATOM 0 HD12 LEU B 68 -27.993 -8.672 -1.513 1.00 0.56 H new ATOM 0 HD13 LEU B 68 -29.099 -10.004 -1.920 1.00 0.56 H new ATOM 0 HD21 LEU B 68 -27.306 -12.280 -0.840 1.00 0.61 H new ATOM 0 HD22 LEU B 68 -28.186 -12.298 -2.386 1.00 0.61 H new ATOM 0 HD23 LEU B 68 -26.428 -12.570 -2.360 1.00 0.61 H new ATOM 2115 N ASN B 69 -26.569 -9.609 -6.125 1.00 0.61 N ATOM 2116 CA ASN B 69 -26.607 -9.264 -7.576 1.00 0.64 C ATOM 2117 C ASN B 69 -25.656 -8.097 -7.847 1.00 0.70 C ATOM 2118 O ASN B 69 -25.577 -7.215 -7.007 1.00 1.15 O ATOM 2119 CB ASN B 69 -28.030 -8.860 -7.965 1.00 0.82 C ATOM 2120 CG ASN B 69 -28.916 -10.107 -8.023 1.00 1.67 C ATOM 2121 OD1 ASN B 69 -29.839 -10.247 -7.246 1.00 2.45 O ATOM 2122 ND2 ASN B 69 -28.672 -11.024 -8.918 1.00 2.41 N ATOM 2123 OXT ASN B 69 -25.024 -8.103 -8.891 1.00 1.44 O ATOM 0 H ASN B 69 -27.254 -9.121 -5.547 1.00 0.61 H new ATOM 0 HA ASN B 69 -26.299 -10.129 -8.164 1.00 0.64 H new ATOM 0 HB2 ASN B 69 -28.429 -8.150 -7.240 1.00 0.82 H new ATOM 0 HB3 ASN B 69 -28.026 -8.359 -8.933 1.00 0.82 H new ATOM 0 HD21 ASN B 69 -29.256 -11.859 -8.965 1.00 2.41 H new ATOM 0 HD22 ASN B 69 -27.897 -10.906 -9.570 1.00 2.41 H new TER 2130 ASN B 69 HETATM 2131 O HOH A 201 6.220 1.577 5.675 1.00 0.36 O HETATM 2134 O HOH A 202 4.329 5.535 6.526 1.00 0.70 O HETATM 2137 O HOH B 301 -6.900 -1.577 5.819 1.00 0.35 O HETATM 2140 O HOH B 302 -4.454 -5.383 6.590 1.00 1.65 O