USER MOD reduce.3.24.130724 H: found=0, std=0, add=684, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 682 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 42 SER OG : rot -73:sc= 1.24 USER MOD Set 1.2: A 49 HIS : +bothHN:sc= -4.13! C(o=-2.9!,f=-12!) USER MOD Set 2.1: A 33 MET CE :methyl -172:sc= -1.59 (180deg=-1.84!) USER MOD Set 2.2: A 52 HIS :FLIP no HE2:sc= 0.477 F(o=-4.2!,f=-1.1) USER MOD Set 3.1: A 4 LYS NZ :NH3+ 155:sc= 1.24 (180deg=0) USER MOD Set 3.2: A 26 TYR OH : rot 180:sc= 1.04 USER MOD Single : A 1 SER N :NH3+ -121:sc= 0.0758 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0.0519 USER MOD Single : A 8 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0322) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot -86:sc= -0.116 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -171:sc=-0.00451 (180deg=-0.103) USER MOD Single : A 25 LYS NZ :NH3+ -167:sc= -0.019 (180deg=-0.185) USER MOD Single : A 28 HIS : +bothHN:sc= -1.02! C(o=-1!,f=-6.5!) USER MOD Single : A 32 LYS NZ :NH3+ -168:sc= -0.0521 (180deg=-0.194) USER MOD Single : A 37 THR OG1 : rot -68:sc= 1.22 USER MOD Single : A 38 THR OG1 : rot -98:sc= 1.22 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.0244 X(o=-0.024,f=0) USER MOD Single : A 54 LYS NZ :NH3+ -169:sc= 1.22 (180deg=0.809) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 57 SER OG : rot 140:sc= 0 USER MOD Single : A 58 THR OG1 : rot -178:sc= -0.931 USER MOD Single : A 59 LYS NZ :NH3+ -112:sc= 0.423 (180deg=-0.547) USER MOD Single : A 63 LYS NZ :NH3+ 161:sc= -0.0388 (180deg=-0.369) USER MOD Single : A 65 TYR OH : rot 34:sc= 1.15 USER MOD Single : A 66 ASN : amide:sc= -0.334 K(o=-0.33,f=-0.92) USER MOD Single : A 69 ASN : amide:sc= 0.928 K(o=0.93,f=-8.7!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= -0.102 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 18.325 -4.853 -1.256 1.00 71.14 N ATOM 2 CA SER A 1 19.000 -4.556 -2.520 1.00 32.13 C ATOM 3 C SER A 1 18.403 -5.365 -3.699 1.00 4.22 C ATOM 4 O SER A 1 17.448 -6.146 -3.514 1.00 13.44 O ATOM 5 CB SER A 1 20.521 -4.771 -2.389 1.00 21.13 C ATOM 6 OG SER A 1 21.054 -3.947 -1.350 1.00 11.20 O ATOM 0 H1 SER A 1 17.920 -3.979 -0.865 1.00 71.14 H new ATOM 0 H2 SER A 1 17.565 -5.543 -1.422 1.00 71.14 H new ATOM 0 H3 SER A 1 19.010 -5.249 -0.581 1.00 71.14 H new ATOM 0 HA SER A 1 18.830 -3.504 -2.749 1.00 32.13 H new ATOM 0 HB2 SER A 1 20.729 -5.819 -2.173 1.00 21.13 H new ATOM 0 HB3 SER A 1 21.010 -4.537 -3.334 1.00 21.13 H new ATOM 0 HG SER A 1 22.020 -4.096 -1.278 1.00 11.20 H new ATOM 12 N LYS A 2 18.929 -5.115 -4.918 1.00 62.44 N ATOM 13 CA LYS A 2 18.495 -5.788 -6.163 1.00 61.34 C ATOM 14 C LYS A 2 17.031 -5.396 -6.524 1.00 62.44 C ATOM 15 O LYS A 2 16.431 -5.908 -7.474 1.00 5.13 O ATOM 16 CB LYS A 2 18.678 -7.332 -6.050 1.00 34.54 C ATOM 17 CG LYS A 2 18.383 -8.105 -7.327 1.00 54.30 C ATOM 18 CD LYS A 2 18.504 -9.599 -7.124 1.00 4.22 C ATOM 19 CE LYS A 2 18.166 -10.344 -8.400 1.00 12.14 C ATOM 20 NZ LYS A 2 18.214 -11.806 -8.220 1.00 11.12 N ATOM 0 H LYS A 2 19.674 -4.434 -5.067 1.00 62.44 H new ATOM 0 HA LYS A 2 19.130 -5.447 -6.981 1.00 61.34 H new ATOM 0 HB2 LYS A 2 19.703 -7.541 -5.744 1.00 34.54 H new ATOM 0 HB3 LYS A 2 18.027 -7.704 -5.258 1.00 34.54 H new ATOM 0 HG2 LYS A 2 17.377 -7.866 -7.672 1.00 54.30 H new ATOM 0 HG3 LYS A 2 19.072 -7.788 -8.110 1.00 54.30 H new ATOM 0 HD2 LYS A 2 19.518 -9.847 -6.810 1.00 4.22 H new ATOM 0 HD3 LYS A 2 17.836 -9.917 -6.324 1.00 4.22 H new ATOM 0 HE2 LYS A 2 17.171 -10.053 -8.736 1.00 12.14 H new ATOM 0 HE3 LYS A 2 18.864 -10.053 -9.185 1.00 12.14 H new ATOM 0 HZ1 LYS A 2 17.976 -12.274 -9.118 1.00 11.12 H new ATOM 0 HZ2 LYS A 2 19.171 -12.088 -7.925 1.00 11.12 H new ATOM 0 HZ3 LYS A 2 17.529 -12.089 -7.490 1.00 11.12 H new ATOM 34 N CYS A 3 16.497 -4.465 -5.780 1.00 21.54 N ATOM 35 CA CYS A 3 15.161 -3.980 -5.962 1.00 32.22 C ATOM 36 C CYS A 3 15.061 -2.624 -5.306 1.00 1.22 C ATOM 37 O CYS A 3 15.900 -2.275 -4.459 1.00 3.45 O ATOM 38 CB CYS A 3 14.132 -4.950 -5.350 1.00 73.51 C ATOM 39 SG CYS A 3 12.388 -4.449 -5.601 1.00 32.22 S ATOM 0 H CYS A 3 16.994 -4.013 -5.012 1.00 21.54 H new ATOM 0 HA CYS A 3 14.941 -3.903 -7.027 1.00 32.22 H new ATOM 0 HB2 CYS A 3 14.280 -5.940 -5.782 1.00 73.51 H new ATOM 0 HB3 CYS A 3 14.323 -5.038 -4.280 1.00 73.51 H new ATOM 44 N LYS A 4 14.077 -1.872 -5.680 1.00 42.53 N ATOM 45 CA LYS A 4 13.897 -0.553 -5.167 1.00 2.05 C ATOM 46 C LYS A 4 12.634 -0.511 -4.317 1.00 64.13 C ATOM 47 O LYS A 4 11.704 -1.298 -4.547 1.00 13.21 O ATOM 48 CB LYS A 4 13.830 0.448 -6.334 1.00 35.35 C ATOM 49 CG LYS A 4 13.670 1.916 -5.934 1.00 64.43 C ATOM 50 CD LYS A 4 13.689 2.840 -7.151 1.00 10.22 C ATOM 51 CE LYS A 4 15.035 2.796 -7.869 1.00 4.44 C ATOM 52 NZ LYS A 4 15.064 3.666 -9.058 1.00 52.43 N ATOM 0 H LYS A 4 13.369 -2.159 -6.356 1.00 42.53 H new ATOM 0 HA LYS A 4 14.740 -0.275 -4.535 1.00 2.05 H new ATOM 0 HB2 LYS A 4 14.739 0.348 -6.928 1.00 35.35 H new ATOM 0 HB3 LYS A 4 12.996 0.172 -6.979 1.00 35.35 H new ATOM 0 HG2 LYS A 4 12.732 2.046 -5.394 1.00 64.43 H new ATOM 0 HG3 LYS A 4 14.472 2.197 -5.252 1.00 64.43 H new ATOM 0 HD2 LYS A 4 12.898 2.549 -7.842 1.00 10.22 H new ATOM 0 HD3 LYS A 4 13.477 3.862 -6.836 1.00 10.22 H new ATOM 0 HE2 LYS A 4 15.822 3.101 -7.179 1.00 4.44 H new ATOM 0 HE3 LYS A 4 15.252 1.770 -8.167 1.00 4.44 H new ATOM 0 HZ1 LYS A 4 16.046 3.942 -9.262 1.00 52.43 H new ATOM 0 HZ2 LYS A 4 14.672 3.153 -9.873 1.00 52.43 H new ATOM 0 HZ3 LYS A 4 14.495 4.518 -8.879 1.00 52.43 H new ATOM 66 N CYS A 5 12.628 0.398 -3.345 1.00 64.30 N ATOM 67 CA CYS A 5 11.525 0.609 -2.415 1.00 21.44 C ATOM 68 C CYS A 5 11.527 -0.368 -1.244 1.00 11.22 C ATOM 69 O CYS A 5 11.624 -1.593 -1.407 1.00 1.42 O ATOM 70 CB CYS A 5 10.146 0.682 -3.103 1.00 34.33 C ATOM 71 SG CYS A 5 9.975 2.052 -4.300 1.00 11.12 S ATOM 0 H CYS A 5 13.414 1.026 -3.179 1.00 64.30 H new ATOM 0 HA CYS A 5 11.707 1.597 -1.992 1.00 21.44 H new ATOM 0 HB2 CYS A 5 9.960 -0.260 -3.618 1.00 34.33 H new ATOM 0 HB3 CYS A 5 9.376 0.785 -2.338 1.00 34.33 H new ATOM 76 N SER A 6 11.447 0.201 -0.077 1.00 61.22 N ATOM 77 CA SER A 6 11.372 -0.494 1.169 1.00 63.42 C ATOM 78 C SER A 6 10.545 0.424 2.060 1.00 60.41 C ATOM 79 O SER A 6 9.904 1.345 1.535 1.00 2.13 O ATOM 80 CB SER A 6 12.792 -0.716 1.732 1.00 24.12 C ATOM 81 OG SER A 6 12.768 -1.518 2.913 1.00 41.55 O ATOM 0 H SER A 6 11.432 1.215 0.034 1.00 61.22 H new ATOM 0 HA SER A 6 10.922 -1.484 1.088 1.00 63.42 H new ATOM 0 HB2 SER A 6 13.413 -1.198 0.977 1.00 24.12 H new ATOM 0 HB3 SER A 6 13.251 0.247 1.955 1.00 24.12 H new ATOM 0 HG SER A 6 13.682 -1.641 3.243 1.00 41.55 H new ATOM 87 N ARG A 7 10.526 0.241 3.359 1.00 54.24 N ATOM 88 CA ARG A 7 9.719 1.141 4.147 1.00 11.02 C ATOM 89 C ARG A 7 10.501 2.395 4.525 1.00 24.24 C ATOM 90 O ARG A 7 10.940 2.571 5.659 1.00 54.53 O ATOM 91 CB ARG A 7 9.052 0.497 5.361 1.00 43.14 C ATOM 92 CG ARG A 7 7.987 1.390 5.982 1.00 15.14 C ATOM 93 CD ARG A 7 7.327 0.756 7.184 1.00 33.55 C ATOM 94 NE ARG A 7 6.178 1.556 7.645 1.00 34.32 N ATOM 95 CZ ARG A 7 5.494 1.346 8.773 1.00 34.23 C ATOM 96 NH1 ARG A 7 5.932 0.455 9.665 1.00 64.30 N ATOM 97 NH2 ARG A 7 4.387 2.044 9.020 1.00 53.24 N ATOM 0 H ARG A 7 11.031 -0.482 3.871 1.00 54.24 H new ATOM 0 HA ARG A 7 8.891 1.432 3.500 1.00 11.02 H new ATOM 0 HB2 ARG A 7 8.600 -0.449 5.064 1.00 43.14 H new ATOM 0 HB3 ARG A 7 9.811 0.267 6.109 1.00 43.14 H new ATOM 0 HG2 ARG A 7 8.439 2.337 6.277 1.00 15.14 H new ATOM 0 HG3 ARG A 7 7.228 1.619 5.234 1.00 15.14 H new ATOM 0 HD2 ARG A 7 6.994 -0.251 6.931 1.00 33.55 H new ATOM 0 HD3 ARG A 7 8.053 0.658 7.991 1.00 33.55 H new ATOM 0 HE ARG A 7 5.881 2.333 7.055 1.00 34.32 H new ATOM 0 HH11 ARG A 7 6.790 -0.067 9.486 1.00 64.30 H new ATOM 0 HH12 ARG A 7 5.409 0.296 10.526 1.00 64.30 H new ATOM 0 HH21 ARG A 7 4.062 2.739 8.348 1.00 53.24 H new ATOM 0 HH22 ARG A 7 3.865 1.884 9.881 1.00 53.24 H new ATOM 111 N LYS A 8 10.749 3.207 3.532 1.00 42.11 N ATOM 112 CA LYS A 8 11.388 4.497 3.695 1.00 23.40 C ATOM 113 C LYS A 8 10.599 5.541 2.949 1.00 12.52 C ATOM 114 O LYS A 8 11.049 6.680 2.745 1.00 64.43 O ATOM 115 CB LYS A 8 12.863 4.473 3.270 1.00 43.35 C ATOM 116 CG LYS A 8 13.771 3.750 4.259 1.00 25.43 C ATOM 117 CD LYS A 8 15.216 3.754 3.801 1.00 40.24 C ATOM 118 CE LYS A 8 16.147 3.228 4.891 1.00 63.44 C ATOM 119 NZ LYS A 8 15.812 1.852 5.331 1.00 1.00 N ATOM 0 H LYS A 8 10.509 2.991 2.564 1.00 42.11 H new ATOM 0 HA LYS A 8 11.393 4.752 4.755 1.00 23.40 H new ATOM 0 HB2 LYS A 8 12.944 3.991 2.296 1.00 43.35 H new ATOM 0 HB3 LYS A 8 13.214 5.498 3.149 1.00 43.35 H new ATOM 0 HG2 LYS A 8 13.698 4.227 5.236 1.00 25.43 H new ATOM 0 HG3 LYS A 8 13.431 2.722 4.380 1.00 25.43 H new ATOM 0 HD2 LYS A 8 15.317 3.140 2.906 1.00 40.24 H new ATOM 0 HD3 LYS A 8 15.510 4.767 3.527 1.00 40.24 H new ATOM 0 HE2 LYS A 8 17.173 3.245 4.523 1.00 63.44 H new ATOM 0 HE3 LYS A 8 16.105 3.898 5.750 1.00 63.44 H new ATOM 0 HZ1 LYS A 8 16.546 1.507 5.982 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 14.893 1.857 5.817 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 15.762 1.225 4.503 1.00 1.00 H new ATOM 133 N GLY A 9 9.416 5.143 2.553 1.00 14.44 N ATOM 134 CA GLY A 9 8.486 6.037 1.958 1.00 74.32 C ATOM 135 C GLY A 9 7.545 6.524 3.037 1.00 24.22 C ATOM 136 O GLY A 9 7.256 5.756 3.976 1.00 11.54 O ATOM 0 H GLY A 9 9.080 4.184 2.640 1.00 14.44 H new ATOM 0 HA2 GLY A 9 9.006 6.878 1.499 1.00 74.32 H new ATOM 0 HA3 GLY A 9 7.930 5.536 1.166 1.00 74.32 H new ATOM 140 N PRO A 10 7.103 7.792 2.979 1.00 45.33 N ATOM 141 CA PRO A 10 6.168 8.380 3.959 1.00 41.24 C ATOM 142 C PRO A 10 4.998 7.450 4.302 1.00 5.13 C ATOM 143 O PRO A 10 4.450 6.752 3.414 1.00 52.13 O ATOM 144 CB PRO A 10 5.658 9.616 3.236 1.00 1.13 C ATOM 145 CG PRO A 10 6.795 10.040 2.384 1.00 23.34 C ATOM 146 CD PRO A 10 7.508 8.783 1.964 1.00 72.00 C ATOM 0 HA PRO A 10 6.653 8.580 4.914 1.00 41.24 H new ATOM 0 HB2 PRO A 10 4.775 9.390 2.637 1.00 1.13 H new ATOM 0 HB3 PRO A 10 5.375 10.399 3.939 1.00 1.13 H new ATOM 0 HG2 PRO A 10 6.442 10.595 1.514 1.00 23.34 H new ATOM 0 HG3 PRO A 10 7.466 10.701 2.933 1.00 23.34 H new ATOM 0 HD2 PRO A 10 7.213 8.472 0.962 1.00 72.00 H new ATOM 0 HD3 PRO A 10 8.589 8.922 1.950 1.00 72.00 H new ATOM 154 N LYS A 11 4.629 7.443 5.563 1.00 0.34 N ATOM 155 CA LYS A 11 3.568 6.600 6.065 1.00 10.33 C ATOM 156 C LYS A 11 2.216 7.023 5.528 1.00 30.41 C ATOM 157 O LYS A 11 2.023 8.168 5.084 1.00 2.04 O ATOM 158 CB LYS A 11 3.583 6.549 7.594 1.00 23.32 C ATOM 159 CG LYS A 11 3.401 7.892 8.267 1.00 50.44 C ATOM 160 CD LYS A 11 3.584 7.775 9.762 1.00 14.23 C ATOM 161 CE LYS A 11 3.409 9.112 10.443 1.00 3.30 C ATOM 162 NZ LYS A 11 3.695 9.035 11.887 1.00 63.43 N ATOM 0 H LYS A 11 5.062 8.029 6.277 1.00 0.34 H new ATOM 0 HA LYS A 11 3.749 5.588 5.702 1.00 10.33 H new ATOM 0 HB2 LYS A 11 2.793 5.878 7.931 1.00 23.32 H new ATOM 0 HB3 LYS A 11 4.529 6.118 7.922 1.00 23.32 H new ATOM 0 HG2 LYS A 11 4.119 8.606 7.863 1.00 50.44 H new ATOM 0 HG3 LYS A 11 2.407 8.281 8.048 1.00 50.44 H new ATOM 0 HD2 LYS A 11 2.863 7.063 10.164 1.00 14.23 H new ATOM 0 HD3 LYS A 11 4.577 7.381 9.979 1.00 14.23 H new ATOM 0 HE2 LYS A 11 4.071 9.844 9.980 1.00 3.30 H new ATOM 0 HE3 LYS A 11 2.389 9.465 10.293 1.00 3.30 H new ATOM 0 HZ1 LYS A 11 3.564 9.973 12.317 1.00 63.43 H new ATOM 0 HZ2 LYS A 11 3.047 8.355 12.333 1.00 63.43 H new ATOM 0 HZ3 LYS A 11 4.677 8.723 12.030 1.00 63.43 H new ATOM 176 N ILE A 12 1.298 6.110 5.556 1.00 54.40 N ATOM 177 CA ILE A 12 0.000 6.320 4.979 1.00 43.42 C ATOM 178 C ILE A 12 -1.034 5.948 5.988 1.00 40.40 C ATOM 179 O ILE A 12 -0.794 5.083 6.827 1.00 73.24 O ATOM 180 CB ILE A 12 -0.234 5.383 3.774 1.00 3.43 C ATOM 181 CG1 ILE A 12 1.007 5.260 2.931 1.00 25.51 C ATOM 182 CG2 ILE A 12 -1.378 5.918 2.909 1.00 15.44 C ATOM 183 CD1 ILE A 12 0.848 4.297 1.807 1.00 61.13 C ATOM 0 H ILE A 12 1.424 5.191 5.981 1.00 54.40 H new ATOM 0 HA ILE A 12 -0.062 7.363 4.669 1.00 43.42 H new ATOM 0 HB ILE A 12 -0.492 4.398 4.162 1.00 3.43 H new ATOM 0 HG12 ILE A 12 1.267 6.240 2.530 1.00 25.51 H new ATOM 0 HG13 ILE A 12 1.838 4.943 3.561 1.00 25.51 H new ATOM 0 HG21 ILE A 12 -1.536 5.251 2.062 1.00 15.44 H new ATOM 0 HG22 ILE A 12 -2.290 5.971 3.504 1.00 15.44 H new ATOM 0 HG23 ILE A 12 -1.124 6.913 2.545 1.00 15.44 H new ATOM 0 HD11 ILE A 12 1.774 4.250 1.234 1.00 61.13 H new ATOM 0 HD12 ILE A 12 0.617 3.309 2.205 1.00 61.13 H new ATOM 0 HD13 ILE A 12 0.036 4.626 1.158 1.00 61.13 H new ATOM 195 N ARG A 13 -2.133 6.617 5.962 1.00 21.21 N ATOM 196 CA ARG A 13 -3.260 6.175 6.713 1.00 52.12 C ATOM 197 C ARG A 13 -4.126 5.376 5.767 1.00 22.20 C ATOM 198 O ARG A 13 -4.100 5.624 4.556 1.00 4.30 O ATOM 199 CB ARG A 13 -4.053 7.336 7.286 1.00 0.44 C ATOM 200 CG ARG A 13 -4.671 8.273 6.255 1.00 61.43 C ATOM 201 CD ARG A 13 -5.481 9.361 6.927 1.00 2.32 C ATOM 202 NE ARG A 13 -6.220 10.188 5.960 1.00 33.25 N ATOM 203 CZ ARG A 13 -7.318 10.902 6.269 1.00 1.00 C ATOM 204 NH1 ARG A 13 -7.769 10.917 7.511 1.00 41.31 N ATOM 205 NH2 ARG A 13 -7.960 11.588 5.331 1.00 10.14 N ATOM 0 H ARG A 13 -2.278 7.474 5.429 1.00 21.21 H new ATOM 0 HA ARG A 13 -2.927 5.578 7.562 1.00 52.12 H new ATOM 0 HB2 ARG A 13 -4.850 6.936 7.913 1.00 0.44 H new ATOM 0 HB3 ARG A 13 -3.398 7.917 7.935 1.00 0.44 H new ATOM 0 HG2 ARG A 13 -3.884 8.722 5.649 1.00 61.43 H new ATOM 0 HG3 ARG A 13 -5.309 7.705 5.578 1.00 61.43 H new ATOM 0 HD2 ARG A 13 -6.184 8.908 7.626 1.00 2.32 H new ATOM 0 HD3 ARG A 13 -4.816 9.997 7.512 1.00 2.32 H new ATOM 0 HE ARG A 13 -5.880 10.222 4.999 1.00 33.25 H new ATOM 0 HH11 ARG A 13 -7.285 10.387 8.236 1.00 41.31 H new ATOM 0 HH12 ARG A 13 -8.601 11.458 7.745 1.00 41.31 H new ATOM 0 HH21 ARG A 13 -7.622 11.576 4.369 1.00 10.14 H new ATOM 0 HH22 ARG A 13 -8.792 12.127 5.573 1.00 10.14 H new ATOM 219 N TYR A 14 -4.899 4.457 6.285 1.00 1.23 N ATOM 220 CA TYR A 14 -5.743 3.605 5.446 1.00 40.13 C ATOM 221 C TYR A 14 -6.750 4.452 4.674 1.00 20.22 C ATOM 222 O TYR A 14 -7.122 4.135 3.542 1.00 73.53 O ATOM 223 CB TYR A 14 -6.476 2.569 6.295 1.00 12.23 C ATOM 224 CG TYR A 14 -5.559 1.692 7.107 1.00 4.15 C ATOM 225 CD1 TYR A 14 -4.910 0.614 6.534 1.00 52.44 C ATOM 226 CD2 TYR A 14 -5.350 1.938 8.456 1.00 55.02 C ATOM 227 CE1 TYR A 14 -4.084 -0.184 7.275 1.00 75.31 C ATOM 228 CE2 TYR A 14 -4.520 1.139 9.205 1.00 53.51 C ATOM 229 CZ TYR A 14 -3.887 0.079 8.610 1.00 50.51 C ATOM 230 OH TYR A 14 -3.051 -0.728 9.352 1.00 32.33 O ATOM 0 H TYR A 14 -4.971 4.269 7.285 1.00 1.23 H new ATOM 0 HA TYR A 14 -5.101 3.083 4.736 1.00 40.13 H new ATOM 0 HB2 TYR A 14 -7.162 3.084 6.968 1.00 12.23 H new ATOM 0 HB3 TYR A 14 -7.082 1.940 5.642 1.00 12.23 H new ATOM 0 HD1 TYR A 14 -5.058 0.399 5.486 1.00 52.44 H new ATOM 0 HD2 TYR A 14 -5.849 2.773 8.926 1.00 55.02 H new ATOM 0 HE1 TYR A 14 -3.585 -1.022 6.811 1.00 75.31 H new ATOM 0 HE2 TYR A 14 -4.368 1.345 10.254 1.00 53.51 H new ATOM 0 HH TYR A 14 -3.553 -1.502 9.683 1.00 32.33 H new ATOM 240 N SER A 15 -7.135 5.557 5.274 1.00 31.12 N ATOM 241 CA SER A 15 -8.098 6.470 4.705 1.00 10.10 C ATOM 242 C SER A 15 -7.532 7.199 3.465 1.00 35.13 C ATOM 243 O SER A 15 -8.282 7.830 2.710 1.00 13.05 O ATOM 244 CB SER A 15 -8.474 7.492 5.754 1.00 73.21 C ATOM 245 OG SER A 15 -8.923 6.856 6.947 1.00 5.15 O ATOM 0 H SER A 15 -6.781 5.850 6.185 1.00 31.12 H new ATOM 0 HA SER A 15 -8.970 5.898 4.388 1.00 10.10 H new ATOM 0 HB2 SER A 15 -7.614 8.124 5.976 1.00 73.21 H new ATOM 0 HB3 SER A 15 -9.258 8.144 5.368 1.00 73.21 H new ATOM 0 HG SER A 15 -9.159 7.536 7.612 1.00 5.15 H new ATOM 251 N ASP A 16 -6.211 7.139 3.254 1.00 71.40 N ATOM 252 CA ASP A 16 -5.628 7.816 2.090 1.00 23.30 C ATOM 253 C ASP A 16 -5.403 6.832 0.976 1.00 71.14 C ATOM 254 O ASP A 16 -5.057 7.197 -0.114 1.00 30.14 O ATOM 255 CB ASP A 16 -4.318 8.570 2.429 1.00 3.51 C ATOM 256 CG ASP A 16 -3.853 9.515 1.288 1.00 21.44 C ATOM 257 OD1 ASP A 16 -4.670 10.375 0.836 1.00 41.01 O ATOM 258 OD2 ASP A 16 -2.677 9.460 0.886 1.00 55.21 O ATOM 0 H ASP A 16 -5.546 6.647 3.851 1.00 71.40 H new ATOM 0 HA ASP A 16 -6.345 8.570 1.765 1.00 23.30 H new ATOM 0 HB2 ASP A 16 -4.465 9.152 3.339 1.00 3.51 H new ATOM 0 HB3 ASP A 16 -3.531 7.845 2.637 1.00 3.51 H new ATOM 263 N VAL A 17 -5.604 5.577 1.255 1.00 31.24 N ATOM 264 CA VAL A 17 -5.422 4.575 0.230 1.00 40.33 C ATOM 265 C VAL A 17 -6.718 4.393 -0.528 1.00 33.14 C ATOM 266 O VAL A 17 -7.737 4.049 0.062 1.00 2.24 O ATOM 267 CB VAL A 17 -5.010 3.215 0.813 1.00 51.23 C ATOM 268 CG1 VAL A 17 -4.690 2.222 -0.293 1.00 54.31 C ATOM 269 CG2 VAL A 17 -3.878 3.343 1.815 1.00 42.10 C ATOM 0 H VAL A 17 -5.890 5.220 2.167 1.00 31.24 H new ATOM 0 HA VAL A 17 -4.624 4.924 -0.426 1.00 40.33 H new ATOM 0 HB VAL A 17 -5.863 2.823 1.366 1.00 51.23 H new ATOM 0 HG11 VAL A 17 -4.401 1.268 0.147 1.00 54.31 H new ATOM 0 HG12 VAL A 17 -5.570 2.081 -0.921 1.00 54.31 H new ATOM 0 HG13 VAL A 17 -3.869 2.605 -0.899 1.00 54.31 H new ATOM 0 HG21 VAL A 17 -3.620 2.357 2.201 1.00 42.10 H new ATOM 0 HG22 VAL A 17 -3.007 3.780 1.326 1.00 42.10 H new ATOM 0 HG23 VAL A 17 -4.192 3.984 2.639 1.00 42.10 H new ATOM 279 N LYS A 18 -6.687 4.602 -1.820 1.00 51.55 N ATOM 280 CA LYS A 18 -7.881 4.392 -2.649 1.00 72.15 C ATOM 281 C LYS A 18 -7.853 3.037 -3.297 1.00 40.52 C ATOM 282 O LYS A 18 -8.890 2.458 -3.620 1.00 40.23 O ATOM 283 CB LYS A 18 -7.987 5.403 -3.765 1.00 32.12 C ATOM 284 CG LYS A 18 -8.212 6.842 -3.358 1.00 64.24 C ATOM 285 CD LYS A 18 -8.585 7.692 -4.579 1.00 30.33 C ATOM 286 CE LYS A 18 -7.534 7.618 -5.682 1.00 23.13 C ATOM 287 NZ LYS A 18 -7.956 8.362 -6.886 1.00 42.14 N ATOM 0 H LYS A 18 -5.862 4.915 -2.332 1.00 51.55 H new ATOM 0 HA LYS A 18 -8.730 4.492 -1.973 1.00 72.15 H new ATOM 0 HB2 LYS A 18 -7.072 5.355 -4.355 1.00 32.12 H new ATOM 0 HB3 LYS A 18 -8.805 5.103 -4.420 1.00 32.12 H new ATOM 0 HG2 LYS A 18 -9.006 6.896 -2.613 1.00 64.24 H new ATOM 0 HG3 LYS A 18 -7.311 7.240 -2.892 1.00 64.24 H new ATOM 0 HD2 LYS A 18 -9.545 7.357 -4.972 1.00 30.33 H new ATOM 0 HD3 LYS A 18 -8.712 8.730 -4.271 1.00 30.33 H new ATOM 0 HE2 LYS A 18 -6.591 8.024 -5.315 1.00 23.13 H new ATOM 0 HE3 LYS A 18 -7.352 6.575 -5.943 1.00 23.13 H new ATOM 0 HZ1 LYS A 18 -7.218 8.290 -7.615 1.00 42.14 H new ATOM 0 HZ2 LYS A 18 -8.843 7.959 -7.250 1.00 42.14 H new ATOM 0 HZ3 LYS A 18 -8.105 9.362 -6.642 1.00 42.14 H new ATOM 301 N LYS A 19 -6.678 2.563 -3.493 1.00 14.14 N ATOM 302 CA LYS A 19 -6.431 1.345 -4.181 1.00 41.02 C ATOM 303 C LYS A 19 -5.106 0.781 -3.734 1.00 34.21 C ATOM 304 O LYS A 19 -4.138 1.526 -3.519 1.00 71.31 O ATOM 305 CB LYS A 19 -6.398 1.602 -5.695 1.00 35.12 C ATOM 306 CG LYS A 19 -6.119 0.371 -6.526 1.00 24.13 C ATOM 307 CD LYS A 19 -6.068 0.691 -8.012 1.00 51.44 C ATOM 308 CE LYS A 19 -5.744 -0.548 -8.833 1.00 15.53 C ATOM 309 NZ LYS A 19 -5.645 -0.252 -10.274 1.00 72.12 N ATOM 0 H LYS A 19 -5.830 3.027 -3.168 1.00 14.14 H new ATOM 0 HA LYS A 19 -7.226 0.633 -3.957 1.00 41.02 H new ATOM 0 HB2 LYS A 19 -7.355 2.024 -6.001 1.00 35.12 H new ATOM 0 HB3 LYS A 19 -5.636 2.351 -5.909 1.00 35.12 H new ATOM 0 HG2 LYS A 19 -5.171 -0.069 -6.216 1.00 24.13 H new ATOM 0 HG3 LYS A 19 -6.892 -0.375 -6.341 1.00 24.13 H new ATOM 0 HD2 LYS A 19 -7.026 1.101 -8.331 1.00 51.44 H new ATOM 0 HD3 LYS A 19 -5.316 1.458 -8.195 1.00 51.44 H new ATOM 0 HE2 LYS A 19 -4.803 -0.975 -8.486 1.00 15.53 H new ATOM 0 HE3 LYS A 19 -6.515 -1.301 -8.671 1.00 15.53 H new ATOM 0 HZ1 LYS A 19 -5.423 -1.125 -10.793 1.00 72.12 H new ATOM 0 HZ2 LYS A 19 -6.550 0.132 -10.613 1.00 72.12 H new ATOM 0 HZ3 LYS A 19 -4.892 0.447 -10.434 1.00 72.12 H new ATOM 323 N LEU A 20 -5.072 -0.499 -3.575 1.00 53.31 N ATOM 324 CA LEU A 20 -3.885 -1.206 -3.209 1.00 30.11 C ATOM 325 C LEU A 20 -3.688 -2.240 -4.313 1.00 0.12 C ATOM 326 O LEU A 20 -4.597 -3.041 -4.576 1.00 13.13 O ATOM 327 CB LEU A 20 -4.145 -1.865 -1.829 1.00 22.23 C ATOM 328 CG LEU A 20 -2.974 -2.487 -1.042 1.00 52.13 C ATOM 329 CD1 LEU A 20 -3.482 -2.928 0.323 1.00 24.31 C ATOM 330 CD2 LEU A 20 -2.356 -3.680 -1.769 1.00 14.41 C ATOM 0 H LEU A 20 -5.887 -1.100 -3.698 1.00 53.31 H new ATOM 0 HA LEU A 20 -2.995 -0.583 -3.117 1.00 30.11 H new ATOM 0 HB2 LEU A 20 -4.601 -1.110 -1.189 1.00 22.23 H new ATOM 0 HB3 LEU A 20 -4.888 -2.648 -1.978 1.00 22.23 H new ATOM 0 HG LEU A 20 -2.195 -1.732 -0.941 1.00 52.13 H new ATOM 0 HD11 LEU A 20 -2.663 -3.370 0.891 1.00 24.31 H new ATOM 0 HD12 LEU A 20 -3.873 -2.065 0.862 1.00 24.31 H new ATOM 0 HD13 LEU A 20 -4.275 -3.665 0.195 1.00 24.31 H new ATOM 0 HD21 LEU A 20 -1.536 -4.083 -1.175 1.00 14.41 H new ATOM 0 HD22 LEU A 20 -3.113 -4.451 -1.912 1.00 14.41 H new ATOM 0 HD23 LEU A 20 -1.977 -3.358 -2.739 1.00 14.41 H new ATOM 342 N GLU A 21 -2.554 -2.219 -4.980 1.00 3.12 N ATOM 343 CA GLU A 21 -2.347 -3.111 -6.085 1.00 1.41 C ATOM 344 C GLU A 21 -0.987 -3.758 -5.961 1.00 21.40 C ATOM 345 O GLU A 21 -0.042 -3.129 -5.508 1.00 52.32 O ATOM 346 CB GLU A 21 -2.463 -2.326 -7.391 1.00 14.04 C ATOM 347 CG GLU A 21 -2.449 -3.178 -8.644 1.00 22.34 C ATOM 348 CD GLU A 21 -3.564 -4.193 -8.646 1.00 62.50 C ATOM 349 OE1 GLU A 21 -4.729 -3.817 -8.871 1.00 23.30 O ATOM 350 OE2 GLU A 21 -3.294 -5.377 -8.428 1.00 72.11 O ATOM 0 H GLU A 21 -1.772 -1.598 -4.774 1.00 3.12 H new ATOM 0 HA GLU A 21 -3.102 -3.897 -6.082 1.00 1.41 H new ATOM 0 HB2 GLU A 21 -3.387 -1.748 -7.371 1.00 14.04 H new ATOM 0 HB3 GLU A 21 -1.641 -1.612 -7.444 1.00 14.04 H new ATOM 0 HG2 GLU A 21 -2.541 -2.536 -9.520 1.00 22.34 H new ATOM 0 HG3 GLU A 21 -1.491 -3.691 -8.723 1.00 22.34 H new ATOM 357 N MET A 22 -0.889 -5.004 -6.323 1.00 50.11 N ATOM 358 CA MET A 22 0.353 -5.685 -6.216 1.00 12.21 C ATOM 359 C MET A 22 0.976 -5.887 -7.566 1.00 60.55 C ATOM 360 O MET A 22 0.456 -6.632 -8.412 1.00 54.44 O ATOM 361 CB MET A 22 0.166 -7.018 -5.519 1.00 53.52 C ATOM 362 CG MET A 22 -0.414 -6.889 -4.135 1.00 33.42 C ATOM 363 SD MET A 22 -0.628 -8.471 -3.323 1.00 71.33 S ATOM 364 CE MET A 22 -1.415 -7.936 -1.813 1.00 1.03 C ATOM 0 H MET A 22 -1.658 -5.563 -6.694 1.00 50.11 H new ATOM 0 HA MET A 22 1.026 -5.068 -5.621 1.00 12.21 H new ATOM 0 HB2 MET A 22 -0.488 -7.647 -6.123 1.00 53.52 H new ATOM 0 HB3 MET A 22 1.128 -7.526 -5.456 1.00 53.52 H new ATOM 0 HG2 MET A 22 0.239 -6.260 -3.529 1.00 33.42 H new ATOM 0 HG3 MET A 22 -1.378 -6.383 -4.195 1.00 33.42 H new ATOM 0 HE1 MET A 22 -1.621 -8.802 -1.184 1.00 1.03 H new ATOM 0 HE2 MET A 22 -0.755 -7.250 -1.282 1.00 1.03 H new ATOM 0 HE3 MET A 22 -2.350 -7.429 -2.050 1.00 1.03 H new ATOM 374 N LYS A 23 2.078 -5.230 -7.766 1.00 21.32 N ATOM 375 CA LYS A 23 2.865 -5.348 -8.952 1.00 73.13 C ATOM 376 C LYS A 23 4.260 -4.900 -8.610 1.00 11.40 C ATOM 377 O LYS A 23 4.425 -3.957 -7.835 1.00 22.11 O ATOM 378 CB LYS A 23 2.230 -4.588 -10.189 1.00 34.43 C ATOM 379 CG LYS A 23 2.082 -3.043 -10.120 1.00 24.22 C ATOM 380 CD LYS A 23 3.415 -2.310 -10.319 1.00 10.50 C ATOM 381 CE LYS A 23 3.260 -0.784 -10.289 1.00 25.33 C ATOM 382 NZ LYS A 23 2.360 -0.272 -11.347 1.00 64.12 N ATOM 0 H LYS A 23 2.465 -4.576 -7.085 1.00 21.32 H new ATOM 0 HA LYS A 23 2.895 -6.385 -9.286 1.00 73.13 H new ATOM 0 HB2 LYS A 23 2.833 -4.823 -11.066 1.00 34.43 H new ATOM 0 HB3 LYS A 23 1.239 -5.008 -10.361 1.00 34.43 H new ATOM 0 HG2 LYS A 23 1.375 -2.716 -10.882 1.00 24.22 H new ATOM 0 HG3 LYS A 23 1.660 -2.765 -9.154 1.00 24.22 H new ATOM 0 HD2 LYS A 23 4.113 -2.616 -9.540 1.00 10.50 H new ATOM 0 HD3 LYS A 23 3.851 -2.608 -11.273 1.00 10.50 H new ATOM 0 HE2 LYS A 23 2.875 -0.483 -9.315 1.00 25.33 H new ATOM 0 HE3 LYS A 23 4.241 -0.323 -10.400 1.00 25.33 H new ATOM 0 HZ1 LYS A 23 2.413 0.766 -11.375 1.00 64.12 H new ATOM 0 HZ2 LYS A 23 2.651 -0.659 -12.268 1.00 64.12 H new ATOM 0 HZ3 LYS A 23 1.383 -0.564 -11.143 1.00 64.12 H new ATOM 396 N PRO A 24 5.278 -5.579 -9.097 1.00 4.23 N ATOM 397 CA PRO A 24 6.638 -5.204 -8.813 1.00 5.41 C ATOM 398 C PRO A 24 7.007 -3.914 -9.522 1.00 24.43 C ATOM 399 O PRO A 24 6.673 -3.723 -10.692 1.00 50.44 O ATOM 400 CB PRO A 24 7.459 -6.386 -9.323 1.00 32.50 C ATOM 401 CG PRO A 24 6.620 -6.992 -10.391 1.00 12.51 C ATOM 402 CD PRO A 24 5.194 -6.758 -9.980 1.00 13.40 C ATOM 0 HA PRO A 24 6.812 -5.008 -7.755 1.00 5.41 H new ATOM 0 HB2 PRO A 24 8.423 -6.060 -9.713 1.00 32.50 H new ATOM 0 HB3 PRO A 24 7.663 -7.101 -8.526 1.00 32.50 H new ATOM 0 HG2 PRO A 24 6.828 -6.533 -11.358 1.00 12.51 H new ATOM 0 HG3 PRO A 24 6.827 -8.057 -10.493 1.00 12.51 H new ATOM 0 HD2 PRO A 24 4.554 -6.569 -10.842 1.00 13.40 H new ATOM 0 HD3 PRO A 24 4.780 -7.621 -9.459 1.00 13.40 H new ATOM 410 N LYS A 25 7.663 -3.014 -8.797 1.00 3.03 N ATOM 411 CA LYS A 25 8.077 -1.744 -9.364 1.00 65.35 C ATOM 412 C LYS A 25 9.128 -2.069 -10.436 1.00 24.54 C ATOM 413 O LYS A 25 9.190 -1.444 -11.487 1.00 33.02 O ATOM 414 CB LYS A 25 8.654 -0.841 -8.238 1.00 31.30 C ATOM 415 CG LYS A 25 8.641 0.667 -8.507 1.00 13.30 C ATOM 416 CD LYS A 25 9.609 1.050 -9.585 1.00 44.02 C ATOM 417 CE LYS A 25 9.542 2.531 -9.936 1.00 51.45 C ATOM 418 NZ LYS A 25 8.214 2.943 -10.444 1.00 70.20 N ATOM 0 H LYS A 25 7.917 -3.144 -7.818 1.00 3.03 H new ATOM 0 HA LYS A 25 7.247 -1.199 -9.814 1.00 65.35 H new ATOM 0 HB2 LYS A 25 8.091 -1.031 -7.324 1.00 31.30 H new ATOM 0 HB3 LYS A 25 9.683 -1.146 -8.048 1.00 31.30 H new ATOM 0 HG2 LYS A 25 7.636 0.976 -8.795 1.00 13.30 H new ATOM 0 HG3 LYS A 25 8.888 1.202 -7.590 1.00 13.30 H new ATOM 0 HD2 LYS A 25 10.621 0.802 -9.264 1.00 44.02 H new ATOM 0 HD3 LYS A 25 9.404 0.459 -10.478 1.00 44.02 H new ATOM 0 HE2 LYS A 25 9.786 3.120 -9.052 1.00 51.45 H new ATOM 0 HE3 LYS A 25 10.299 2.756 -10.688 1.00 51.45 H new ATOM 0 HZ1 LYS A 25 8.283 3.889 -10.870 1.00 70.20 H new ATOM 0 HZ2 LYS A 25 7.891 2.263 -11.162 1.00 70.20 H new ATOM 0 HZ3 LYS A 25 7.533 2.966 -9.658 1.00 70.20 H new ATOM 432 N TYR A 26 9.924 -3.087 -10.149 1.00 51.23 N ATOM 433 CA TYR A 26 10.871 -3.615 -11.086 1.00 34.42 C ATOM 434 C TYR A 26 10.623 -5.098 -11.230 1.00 65.22 C ATOM 435 O TYR A 26 10.470 -5.783 -10.235 1.00 65.41 O ATOM 436 CB TYR A 26 12.319 -3.359 -10.632 1.00 12.53 C ATOM 437 CG TYR A 26 12.768 -1.928 -10.742 1.00 73.32 C ATOM 438 CD1 TYR A 26 12.527 -1.018 -9.733 1.00 33.01 C ATOM 439 CD2 TYR A 26 13.440 -1.494 -11.875 1.00 34.43 C ATOM 440 CE1 TYR A 26 12.938 0.290 -9.846 1.00 40.14 C ATOM 441 CE2 TYR A 26 13.859 -0.183 -11.995 1.00 23.14 C ATOM 442 CZ TYR A 26 13.601 0.707 -10.975 1.00 55.53 C ATOM 443 OH TYR A 26 14.011 2.022 -11.082 1.00 3.24 O ATOM 0 H TYR A 26 9.922 -3.566 -9.248 1.00 51.23 H new ATOM 0 HA TYR A 26 10.741 -3.113 -12.045 1.00 34.42 H new ATOM 0 HB2 TYR A 26 12.422 -3.679 -9.595 1.00 12.53 H new ATOM 0 HB3 TYR A 26 12.987 -3.982 -11.226 1.00 12.53 H new ATOM 0 HD1 TYR A 26 12.008 -1.337 -8.841 1.00 33.01 H new ATOM 0 HD2 TYR A 26 13.639 -2.191 -12.675 1.00 34.43 H new ATOM 0 HE1 TYR A 26 12.740 0.989 -9.047 1.00 40.14 H new ATOM 0 HE2 TYR A 26 14.384 0.142 -12.881 1.00 23.14 H new ATOM 0 HH TYR A 26 14.466 2.154 -11.940 1.00 3.24 H new ATOM 453 N PRO A 27 10.558 -5.624 -12.467 1.00 71.54 N ATOM 454 CA PRO A 27 10.363 -7.075 -12.715 1.00 1.33 C ATOM 455 C PRO A 27 11.466 -7.918 -12.060 1.00 73.23 C ATOM 456 O PRO A 27 11.291 -9.100 -11.778 1.00 22.13 O ATOM 457 CB PRO A 27 10.446 -7.194 -14.242 1.00 0.41 C ATOM 458 CG PRO A 27 10.097 -5.838 -14.747 1.00 34.31 C ATOM 459 CD PRO A 27 10.612 -4.861 -13.727 1.00 62.43 C ATOM 0 HA PRO A 27 9.424 -7.439 -12.298 1.00 1.33 H new ATOM 0 HB2 PRO A 27 11.445 -7.491 -14.562 1.00 0.41 H new ATOM 0 HB3 PRO A 27 9.754 -7.947 -14.619 1.00 0.41 H new ATOM 0 HG2 PRO A 27 10.551 -5.658 -15.722 1.00 34.31 H new ATOM 0 HG3 PRO A 27 9.019 -5.736 -14.873 1.00 34.31 H new ATOM 0 HD2 PRO A 27 11.627 -4.537 -13.957 1.00 62.43 H new ATOM 0 HD3 PRO A 27 9.994 -3.965 -13.681 1.00 62.43 H new ATOM 467 N HIS A 28 12.592 -7.276 -11.794 1.00 24.13 N ATOM 468 CA HIS A 28 13.731 -7.925 -11.152 1.00 53.51 C ATOM 469 C HIS A 28 13.615 -7.859 -9.612 1.00 33.41 C ATOM 470 O HIS A 28 14.617 -7.912 -8.903 1.00 23.42 O ATOM 471 CB HIS A 28 15.076 -7.315 -11.628 1.00 32.22 C ATOM 472 CG HIS A 28 15.308 -5.863 -11.305 1.00 24.52 C ATOM 473 ND1 HIS A 28 15.795 -5.437 -10.101 1.00 13.02 N ATOM 474 CD2 HIS A 28 15.144 -4.741 -12.048 1.00 60.41 C ATOM 475 CE1 HIS A 28 15.919 -4.139 -10.117 1.00 12.02 C ATOM 476 NE2 HIS A 28 15.541 -3.697 -11.282 1.00 50.54 N ATOM 0 H HIS A 28 12.745 -6.292 -12.015 1.00 24.13 H new ATOM 0 HA HIS A 28 13.717 -8.974 -11.449 1.00 53.51 H new ATOM 0 HB2 HIS A 28 15.888 -7.896 -11.190 1.00 32.22 H new ATOM 0 HB3 HIS A 28 15.143 -7.439 -12.709 1.00 32.22 H new ATOM 0 HD1 HIS A 28 16.026 -6.041 -9.312 1.00 13.02 H new ATOM 0 HD2 HIS A 28 14.768 -4.689 -13.059 1.00 60.41 H new ATOM 0 HE1 HIS A 28 16.276 -3.531 -9.299 1.00 12.02 H new ATOM 0 HE2 HIS A 28 15.543 -2.719 -11.572 1.00 50.54 H new ATOM 485 N CYS A 29 12.406 -7.777 -9.122 1.00 1.03 N ATOM 486 CA CYS A 29 12.125 -7.760 -7.699 1.00 22.51 C ATOM 487 C CYS A 29 11.450 -9.063 -7.302 1.00 10.43 C ATOM 488 O CYS A 29 10.776 -9.696 -8.136 1.00 51.41 O ATOM 489 CB CYS A 29 11.215 -6.573 -7.371 1.00 4.22 C ATOM 490 SG CYS A 29 12.006 -4.941 -7.530 1.00 3.02 S ATOM 0 H CYS A 29 11.571 -7.719 -9.705 1.00 1.03 H new ATOM 0 HA CYS A 29 13.056 -7.657 -7.142 1.00 22.51 H new ATOM 0 HB2 CYS A 29 10.346 -6.606 -8.029 1.00 4.22 H new ATOM 0 HB3 CYS A 29 10.847 -6.686 -6.351 1.00 4.22 H new ATOM 495 N GLU A 30 11.621 -9.477 -6.052 1.00 41.23 N ATOM 496 CA GLU A 30 11.026 -10.714 -5.601 1.00 13.42 C ATOM 497 C GLU A 30 9.604 -10.484 -5.168 1.00 62.24 C ATOM 498 O GLU A 30 9.332 -9.564 -4.382 1.00 23.44 O ATOM 499 CB GLU A 30 11.791 -11.318 -4.423 1.00 54.03 C ATOM 500 CG GLU A 30 13.203 -11.686 -4.682 1.00 72.42 C ATOM 501 CD GLU A 30 13.837 -12.341 -3.476 1.00 25.13 C ATOM 502 OE1 GLU A 30 14.399 -11.624 -2.622 1.00 21.11 O ATOM 503 OE2 GLU A 30 13.764 -13.589 -3.357 1.00 24.02 O ATOM 0 H GLU A 30 12.161 -8.977 -5.346 1.00 41.23 H new ATOM 0 HA GLU A 30 11.063 -11.406 -6.442 1.00 13.42 H new ATOM 0 HB2 GLU A 30 11.768 -10.606 -3.598 1.00 54.03 H new ATOM 0 HB3 GLU A 30 11.260 -12.210 -4.090 1.00 54.03 H new ATOM 0 HG2 GLU A 30 13.253 -12.365 -5.534 1.00 72.42 H new ATOM 0 HG3 GLU A 30 13.769 -10.794 -4.952 1.00 72.42 H new ATOM 510 N GLU A 31 8.706 -11.341 -5.668 1.00 71.25 N ATOM 511 CA GLU A 31 7.289 -11.330 -5.306 1.00 0.35 C ATOM 512 C GLU A 31 6.599 -9.999 -5.751 1.00 74.43 C ATOM 513 O GLU A 31 7.252 -9.104 -6.309 1.00 61.21 O ATOM 514 CB GLU A 31 7.162 -11.658 -3.791 1.00 75.24 C ATOM 515 CG GLU A 31 5.763 -11.786 -3.219 1.00 1.12 C ATOM 516 CD GLU A 31 5.803 -12.362 -1.826 1.00 22.11 C ATOM 517 OE1 GLU A 31 6.372 -11.726 -0.911 1.00 24.12 O ATOM 518 OE2 GLU A 31 5.318 -13.502 -1.634 1.00 62.34 O ATOM 0 H GLU A 31 8.948 -12.068 -6.342 1.00 71.25 H new ATOM 0 HA GLU A 31 6.744 -12.104 -5.847 1.00 0.35 H new ATOM 0 HB2 GLU A 31 7.689 -12.593 -3.604 1.00 75.24 H new ATOM 0 HB3 GLU A 31 7.684 -10.881 -3.233 1.00 75.24 H new ATOM 0 HG2 GLU A 31 5.283 -10.808 -3.199 1.00 1.12 H new ATOM 0 HG3 GLU A 31 5.159 -12.424 -3.864 1.00 1.12 H new ATOM 525 N LYS A 32 5.307 -9.894 -5.576 1.00 73.31 N ATOM 526 CA LYS A 32 4.608 -8.707 -5.998 1.00 30.35 C ATOM 527 C LYS A 32 4.649 -7.638 -4.941 1.00 64.24 C ATOM 528 O LYS A 32 4.183 -7.830 -3.807 1.00 31.32 O ATOM 529 CB LYS A 32 3.175 -9.007 -6.396 1.00 51.05 C ATOM 530 CG LYS A 32 3.046 -10.058 -7.470 1.00 35.32 C ATOM 531 CD LYS A 32 3.793 -9.697 -8.734 1.00 55.11 C ATOM 532 CE LYS A 32 3.647 -10.773 -9.809 1.00 34.02 C ATOM 533 NZ LYS A 32 4.143 -12.099 -9.361 1.00 70.25 N ATOM 0 H LYS A 32 4.721 -10.610 -5.147 1.00 73.31 H new ATOM 0 HA LYS A 32 5.128 -8.333 -6.880 1.00 30.35 H new ATOM 0 HB2 LYS A 32 2.624 -9.333 -5.514 1.00 51.05 H new ATOM 0 HB3 LYS A 32 2.705 -8.087 -6.743 1.00 51.05 H new ATOM 0 HG2 LYS A 32 3.422 -11.008 -7.090 1.00 35.32 H new ATOM 0 HG3 LYS A 32 1.992 -10.203 -7.705 1.00 35.32 H new ATOM 0 HD2 LYS A 32 3.420 -8.747 -9.118 1.00 55.11 H new ATOM 0 HD3 LYS A 32 4.849 -9.555 -8.504 1.00 55.11 H new ATOM 0 HE2 LYS A 32 2.598 -10.858 -10.092 1.00 34.02 H new ATOM 0 HE3 LYS A 32 4.194 -10.467 -10.701 1.00 34.02 H new ATOM 0 HZ1 LYS A 32 4.212 -12.738 -10.179 1.00 70.25 H new ATOM 0 HZ2 LYS A 32 5.082 -11.990 -8.927 1.00 70.25 H new ATOM 0 HZ3 LYS A 32 3.483 -12.499 -8.664 1.00 70.25 H new ATOM 547 N MET A 33 5.215 -6.530 -5.323 1.00 60.05 N ATOM 548 CA MET A 33 5.350 -5.371 -4.493 1.00 25.43 C ATOM 549 C MET A 33 3.993 -4.766 -4.232 1.00 44.11 C ATOM 550 O MET A 33 3.071 -4.910 -5.038 1.00 3.15 O ATOM 551 CB MET A 33 6.216 -4.356 -5.213 1.00 32.11 C ATOM 552 CG MET A 33 7.625 -4.849 -5.534 1.00 5.14 C ATOM 553 SD MET A 33 8.659 -5.006 -4.088 1.00 22.33 S ATOM 554 CE MET A 33 8.719 -3.294 -3.619 1.00 15.45 C ATOM 0 H MET A 33 5.609 -6.406 -6.255 1.00 60.05 H new ATOM 0 HA MET A 33 5.805 -5.652 -3.543 1.00 25.43 H new ATOM 0 HB2 MET A 33 5.723 -4.069 -6.142 1.00 32.11 H new ATOM 0 HB3 MET A 33 6.289 -3.458 -4.600 1.00 32.11 H new ATOM 0 HG2 MET A 33 7.560 -5.816 -6.033 1.00 5.14 H new ATOM 0 HG3 MET A 33 8.094 -4.159 -6.235 1.00 5.14 H new ATOM 0 HE1 MET A 33 9.439 -3.163 -2.811 1.00 15.45 H new ATOM 0 HE2 MET A 33 9.022 -2.692 -4.476 1.00 15.45 H new ATOM 0 HE3 MET A 33 7.733 -2.974 -3.282 1.00 15.45 H new ATOM 564 N VAL A 34 3.878 -4.094 -3.141 1.00 54.42 N ATOM 565 CA VAL A 34 2.660 -3.469 -2.763 1.00 34.10 C ATOM 566 C VAL A 34 2.648 -2.000 -3.118 1.00 51.42 C ATOM 567 O VAL A 34 3.420 -1.196 -2.576 1.00 25.21 O ATOM 568 CB VAL A 34 2.282 -3.730 -1.287 1.00 25.42 C ATOM 569 CG1 VAL A 34 1.540 -5.044 -1.175 1.00 52.23 C ATOM 570 CG2 VAL A 34 3.528 -3.833 -0.431 1.00 21.15 C ATOM 0 H VAL A 34 4.640 -3.961 -2.476 1.00 54.42 H new ATOM 0 HA VAL A 34 1.874 -3.941 -3.353 1.00 34.10 H new ATOM 0 HB VAL A 34 1.660 -2.902 -0.946 1.00 25.42 H new ATOM 0 HG11 VAL A 34 1.275 -5.225 -0.133 1.00 52.23 H new ATOM 0 HG12 VAL A 34 0.633 -5.002 -1.778 1.00 52.23 H new ATOM 0 HG13 VAL A 34 2.177 -5.853 -1.533 1.00 52.23 H new ATOM 0 HG21 VAL A 34 3.244 -4.017 0.605 1.00 21.15 H new ATOM 0 HG22 VAL A 34 4.148 -4.655 -0.788 1.00 21.15 H new ATOM 0 HG23 VAL A 34 4.090 -2.901 -0.493 1.00 21.15 H new ATOM 580 N ILE A 35 1.801 -1.675 -4.056 1.00 71.31 N ATOM 581 CA ILE A 35 1.657 -0.340 -4.565 1.00 12.33 C ATOM 582 C ILE A 35 0.444 0.262 -3.941 1.00 70.10 C ATOM 583 O ILE A 35 -0.655 -0.322 -3.995 1.00 44.44 O ATOM 584 CB ILE A 35 1.446 -0.369 -6.087 1.00 54.13 C ATOM 585 CG1 ILE A 35 2.544 -1.193 -6.756 1.00 45.52 C ATOM 586 CG2 ILE A 35 1.386 1.051 -6.669 1.00 12.54 C ATOM 587 CD1 ILE A 35 3.960 -0.655 -6.573 1.00 24.43 C ATOM 0 H ILE A 35 1.176 -2.349 -4.498 1.00 71.31 H new ATOM 0 HA ILE A 35 2.554 0.235 -4.336 1.00 12.33 H new ATOM 0 HB ILE A 35 0.486 -0.843 -6.291 1.00 54.13 H new ATOM 0 HG12 ILE A 35 2.505 -2.209 -6.363 1.00 45.52 H new ATOM 0 HG13 ILE A 35 2.331 -1.255 -7.823 1.00 45.52 H new ATOM 0 HG21 ILE A 35 1.236 0.996 -7.747 1.00 12.54 H new ATOM 0 HG22 ILE A 35 0.558 1.596 -6.215 1.00 12.54 H new ATOM 0 HG23 ILE A 35 2.321 1.570 -6.459 1.00 12.54 H new ATOM 0 HD11 ILE A 35 4.667 -1.309 -7.084 1.00 24.43 H new ATOM 0 HD12 ILE A 35 4.025 0.349 -6.993 1.00 24.43 H new ATOM 0 HD13 ILE A 35 4.201 -0.620 -5.511 1.00 24.43 H new ATOM 599 N ILE A 36 0.612 1.387 -3.353 1.00 70.50 N ATOM 600 CA ILE A 36 -0.472 2.019 -2.701 1.00 71.34 C ATOM 601 C ILE A 36 -0.815 3.333 -3.347 1.00 62.10 C ATOM 602 O ILE A 36 0.006 4.253 -3.398 1.00 32.52 O ATOM 603 CB ILE A 36 -0.201 2.180 -1.209 1.00 30.43 C ATOM 604 CG1 ILE A 36 -0.073 0.794 -0.575 1.00 64.52 C ATOM 605 CG2 ILE A 36 -1.297 2.980 -0.544 1.00 3.24 C ATOM 606 CD1 ILE A 36 0.099 0.823 0.899 1.00 34.43 C ATOM 0 H ILE A 36 1.497 1.893 -3.310 1.00 70.50 H new ATOM 0 HA ILE A 36 -1.343 1.372 -2.808 1.00 71.34 H new ATOM 0 HB ILE A 36 0.730 2.728 -1.068 1.00 30.43 H new ATOM 0 HG12 ILE A 36 -0.962 0.211 -0.816 1.00 64.52 H new ATOM 0 HG13 ILE A 36 0.777 0.278 -1.021 1.00 64.52 H new ATOM 0 HG21 ILE A 36 -1.080 3.080 0.519 1.00 3.24 H new ATOM 0 HG22 ILE A 36 -1.352 3.969 -0.998 1.00 3.24 H new ATOM 0 HG23 ILE A 36 -2.251 2.468 -0.673 1.00 3.24 H new ATOM 0 HD11 ILE A 36 0.183 -0.196 1.276 1.00 34.43 H new ATOM 0 HD12 ILE A 36 1.004 1.378 1.149 1.00 34.43 H new ATOM 0 HD13 ILE A 36 -0.763 1.309 1.356 1.00 34.43 H new ATOM 618 N THR A 37 -2.030 3.418 -3.793 1.00 21.35 N ATOM 619 CA THR A 37 -2.525 4.567 -4.504 1.00 73.43 C ATOM 620 C THR A 37 -3.239 5.480 -3.516 1.00 74.10 C ATOM 621 O THR A 37 -4.135 5.034 -2.786 1.00 3.42 O ATOM 622 CB THR A 37 -3.522 4.126 -5.583 1.00 51.41 C ATOM 623 OG1 THR A 37 -2.933 3.093 -6.401 1.00 24.42 O ATOM 624 CG2 THR A 37 -3.911 5.302 -6.460 1.00 2.20 C ATOM 0 H THR A 37 -2.723 2.679 -3.673 1.00 21.35 H new ATOM 0 HA THR A 37 -1.693 5.089 -4.976 1.00 73.43 H new ATOM 0 HB THR A 37 -4.415 3.740 -5.092 1.00 51.41 H new ATOM 0 HG1 THR A 37 -2.200 3.472 -6.930 1.00 24.42 H new ATOM 0 HG21 THR A 37 -4.619 4.971 -7.220 1.00 2.20 H new ATOM 0 HG22 THR A 37 -4.373 6.076 -5.847 1.00 2.20 H new ATOM 0 HG23 THR A 37 -3.021 5.705 -6.944 1.00 2.20 H new ATOM 632 N THR A 38 -2.863 6.737 -3.500 1.00 32.23 N ATOM 633 CA THR A 38 -3.368 7.644 -2.512 1.00 33.22 C ATOM 634 C THR A 38 -4.512 8.505 -3.006 1.00 53.34 C ATOM 635 O THR A 38 -4.731 8.659 -4.222 1.00 70.54 O ATOM 636 CB THR A 38 -2.236 8.530 -2.015 1.00 15.13 C ATOM 637 OG1 THR A 38 -1.612 9.212 -3.133 1.00 34.42 O ATOM 638 CG2 THR A 38 -1.219 7.675 -1.320 1.00 52.51 C ATOM 0 H THR A 38 -2.208 7.150 -4.164 1.00 32.23 H new ATOM 0 HA THR A 38 -3.769 7.035 -1.702 1.00 33.22 H new ATOM 0 HB THR A 38 -2.633 9.274 -1.324 1.00 15.13 H new ATOM 0 HG1 THR A 38 -0.804 8.727 -3.402 1.00 34.42 H new ATOM 0 HG21 THR A 38 -0.403 8.301 -0.960 1.00 52.51 H new ATOM 0 HG22 THR A 38 -1.686 7.167 -0.476 1.00 52.51 H new ATOM 0 HG23 THR A 38 -0.828 6.935 -2.018 1.00 52.51 H new ATOM 646 N LYS A 39 -5.260 9.031 -2.056 1.00 41.45 N ATOM 647 CA LYS A 39 -6.334 9.918 -2.320 1.00 63.13 C ATOM 648 C LYS A 39 -5.765 11.300 -2.608 1.00 62.24 C ATOM 649 O LYS A 39 -6.073 11.887 -3.657 1.00 62.40 O ATOM 650 CB LYS A 39 -7.281 9.902 -1.088 1.00 15.32 C ATOM 651 CG LYS A 39 -8.631 10.634 -1.206 1.00 34.54 C ATOM 652 CD LYS A 39 -8.512 12.148 -1.254 1.00 40.43 C ATOM 653 CE LYS A 39 -9.888 12.788 -1.287 1.00 53.05 C ATOM 654 NZ LYS A 39 -9.824 14.262 -1.294 1.00 45.32 N ATOM 0 H LYS A 39 -5.121 8.838 -1.064 1.00 41.45 H new ATOM 0 HA LYS A 39 -6.912 9.617 -3.194 1.00 63.13 H new ATOM 0 HB2 LYS A 39 -7.486 8.861 -0.838 1.00 15.32 H new ATOM 0 HB3 LYS A 39 -6.740 10.332 -0.245 1.00 15.32 H new ATOM 0 HG2 LYS A 39 -9.141 10.291 -2.106 1.00 34.54 H new ATOM 0 HG3 LYS A 39 -9.258 10.356 -0.359 1.00 34.54 H new ATOM 0 HD2 LYS A 39 -7.960 12.503 -0.384 1.00 40.43 H new ATOM 0 HD3 LYS A 39 -7.944 12.446 -2.135 1.00 40.43 H new ATOM 0 HE2 LYS A 39 -10.423 12.446 -2.173 1.00 53.05 H new ATOM 0 HE3 LYS A 39 -10.461 12.456 -0.421 1.00 53.05 H new ATOM 0 HZ1 LYS A 39 -10.788 14.651 -1.317 1.00 45.32 H new ATOM 0 HZ2 LYS A 39 -9.337 14.592 -0.436 1.00 45.32 H new ATOM 0 HZ3 LYS A 39 -9.301 14.583 -2.134 1.00 45.32 H new ATOM 668 N SER A 40 -4.861 11.780 -1.699 1.00 50.33 N ATOM 669 CA SER A 40 -4.219 13.105 -1.842 1.00 31.25 C ATOM 670 C SER A 40 -3.509 13.579 -0.547 1.00 72.32 C ATOM 671 O SER A 40 -2.605 14.417 -0.616 1.00 22.42 O ATOM 672 CB SER A 40 -5.260 14.193 -2.233 1.00 31.23 C ATOM 673 OG SER A 40 -4.656 15.458 -2.422 1.00 44.42 O ATOM 0 H SER A 40 -4.569 11.265 -0.869 1.00 50.33 H new ATOM 0 HA SER A 40 -3.474 12.979 -2.627 1.00 31.25 H new ATOM 0 HB2 SER A 40 -5.771 13.894 -3.148 1.00 31.23 H new ATOM 0 HB3 SER A 40 -6.019 14.266 -1.454 1.00 31.23 H new ATOM 0 HG SER A 40 -5.341 16.114 -2.668 1.00 44.42 H new ATOM 679 N VAL A 41 -3.880 13.044 0.622 1.00 70.14 N ATOM 680 CA VAL A 41 -3.406 13.664 1.870 1.00 53.14 C ATOM 681 C VAL A 41 -1.962 13.342 2.226 1.00 13.11 C ATOM 682 O VAL A 41 -1.316 14.125 2.943 1.00 44.42 O ATOM 683 CB VAL A 41 -4.339 13.445 3.102 1.00 3.34 C ATOM 684 CG1 VAL A 41 -5.749 13.918 2.812 1.00 34.51 C ATOM 685 CG2 VAL A 41 -4.325 12.010 3.593 1.00 71.34 C ATOM 0 H VAL A 41 -4.477 12.224 0.734 1.00 70.14 H new ATOM 0 HA VAL A 41 -3.446 14.726 1.629 1.00 53.14 H new ATOM 0 HB VAL A 41 -3.940 14.054 3.913 1.00 3.34 H new ATOM 0 HG11 VAL A 41 -6.376 13.753 3.688 1.00 34.51 H new ATOM 0 HG12 VAL A 41 -5.734 14.981 2.572 1.00 34.51 H new ATOM 0 HG13 VAL A 41 -6.153 13.361 1.967 1.00 34.51 H new ATOM 0 HG21 VAL A 41 -4.990 11.912 4.451 1.00 71.34 H new ATOM 0 HG22 VAL A 41 -4.663 11.349 2.795 1.00 71.34 H new ATOM 0 HG23 VAL A 41 -3.312 11.736 3.887 1.00 71.34 H new ATOM 695 N SER A 42 -1.441 12.233 1.739 1.00 44.34 N ATOM 696 CA SER A 42 -0.075 11.881 2.040 1.00 44.21 C ATOM 697 C SER A 42 0.923 12.778 1.290 1.00 44.51 C ATOM 698 O SER A 42 0.550 13.526 0.368 1.00 5.45 O ATOM 699 CB SER A 42 0.185 10.393 1.797 1.00 74.45 C ATOM 700 OG SER A 42 -0.125 10.012 0.467 1.00 2.34 O ATOM 0 H SER A 42 -1.937 11.571 1.142 1.00 44.34 H new ATOM 0 HA SER A 42 0.084 12.061 3.103 1.00 44.21 H new ATOM 0 HB2 SER A 42 1.231 10.169 2.004 1.00 74.45 H new ATOM 0 HB3 SER A 42 -0.411 9.802 2.492 1.00 74.45 H new ATOM 0 HG SER A 42 -1.098 9.990 0.351 1.00 2.34 H new ATOM 706 N ARG A 43 2.193 12.681 1.668 1.00 13.21 N ATOM 707 CA ARG A 43 3.260 13.541 1.132 1.00 71.24 C ATOM 708 C ARG A 43 3.551 13.317 -0.362 1.00 12.44 C ATOM 709 O ARG A 43 4.329 14.052 -0.966 1.00 3.41 O ATOM 710 CB ARG A 43 4.520 13.407 1.985 1.00 61.25 C ATOM 711 CG ARG A 43 4.258 13.778 3.431 1.00 23.21 C ATOM 712 CD ARG A 43 5.477 13.639 4.320 1.00 4.51 C ATOM 713 NE ARG A 43 5.137 13.979 5.706 1.00 13.05 N ATOM 714 CZ ARG A 43 5.970 13.976 6.750 1.00 5.21 C ATOM 715 NH1 ARG A 43 7.249 13.624 6.601 1.00 1.50 N ATOM 716 NH2 ARG A 43 5.512 14.324 7.953 1.00 5.41 N ATOM 0 H ARG A 43 2.520 12.004 2.357 1.00 13.21 H new ATOM 0 HA ARG A 43 2.897 14.567 1.193 1.00 71.24 H new ATOM 0 HB2 ARG A 43 4.888 12.382 1.933 1.00 61.25 H new ATOM 0 HB3 ARG A 43 5.303 14.048 1.581 1.00 61.25 H new ATOM 0 HG2 ARG A 43 3.901 14.807 3.475 1.00 23.21 H new ATOM 0 HG3 ARG A 43 3.460 13.147 3.821 1.00 23.21 H new ATOM 0 HD2 ARG A 43 5.857 12.618 4.271 1.00 4.51 H new ATOM 0 HD3 ARG A 43 6.273 14.293 3.963 1.00 4.51 H new ATOM 0 HE ARG A 43 4.169 14.244 5.890 1.00 13.05 H new ATOM 0 HH11 ARG A 43 7.600 13.353 5.682 1.00 1.50 H new ATOM 0 HH12 ARG A 43 7.876 13.626 7.406 1.00 1.50 H new ATOM 0 HH21 ARG A 43 4.534 14.589 8.069 1.00 5.41 H new ATOM 0 HH22 ARG A 43 6.140 14.325 8.757 1.00 5.41 H new ATOM 730 N TYR A 44 2.934 12.314 -0.949 1.00 53.13 N ATOM 731 CA TYR A 44 3.057 12.079 -2.384 1.00 75.41 C ATOM 732 C TYR A 44 2.040 12.895 -3.157 1.00 14.22 C ATOM 733 O TYR A 44 2.311 13.311 -4.272 1.00 12.25 O ATOM 734 CB TYR A 44 2.906 10.602 -2.736 1.00 50.15 C ATOM 735 CG TYR A 44 4.084 9.739 -2.390 1.00 35.31 C ATOM 736 CD1 TYR A 44 4.252 9.267 -1.127 1.00 13.13 C ATOM 737 CD2 TYR A 44 5.020 9.379 -3.355 1.00 60.00 C ATOM 738 CE1 TYR A 44 5.310 8.454 -0.798 1.00 10.35 C ATOM 739 CE2 TYR A 44 6.091 8.564 -3.039 1.00 45.20 C ATOM 740 CZ TYR A 44 6.225 8.104 -1.750 1.00 44.24 C ATOM 741 OH TYR A 44 7.268 7.278 -1.411 1.00 71.32 O ATOM 0 H TYR A 44 2.340 11.644 -0.460 1.00 53.13 H new ATOM 0 HA TYR A 44 4.061 12.395 -2.669 1.00 75.41 H new ATOM 0 HB2 TYR A 44 2.027 10.211 -2.224 1.00 50.15 H new ATOM 0 HB3 TYR A 44 2.716 10.518 -3.806 1.00 50.15 H new ATOM 0 HD1 TYR A 44 3.537 9.537 -0.364 1.00 13.13 H new ATOM 0 HD2 TYR A 44 4.908 9.742 -4.366 1.00 60.00 H new ATOM 0 HE1 TYR A 44 5.418 8.092 0.214 1.00 10.35 H new ATOM 0 HE2 TYR A 44 6.813 8.292 -3.795 1.00 45.20 H new ATOM 0 HH TYR A 44 7.831 7.122 -2.198 1.00 71.32 H new ATOM 751 N ARG A 45 0.883 13.126 -2.527 1.00 72.12 N ATOM 752 CA ARG A 45 -0.241 13.861 -3.090 1.00 53.14 C ATOM 753 C ARG A 45 -0.658 13.289 -4.457 1.00 14.53 C ATOM 754 O ARG A 45 -0.215 13.750 -5.506 1.00 1.31 O ATOM 755 CB ARG A 45 0.065 15.378 -3.144 1.00 73.51 C ATOM 756 CG ARG A 45 -1.153 16.300 -3.244 1.00 41.22 C ATOM 757 CD ARG A 45 -1.916 16.198 -4.561 1.00 13.14 C ATOM 758 NE ARG A 45 -3.089 17.068 -4.573 1.00 52.41 N ATOM 759 CZ ARG A 45 -4.008 17.120 -5.545 1.00 1.12 C ATOM 760 NH1 ARG A 45 -3.882 16.377 -6.651 1.00 64.13 N ATOM 761 NH2 ARG A 45 -5.054 17.923 -5.401 1.00 1.43 N ATOM 0 H ARG A 45 0.703 12.793 -1.580 1.00 72.12 H new ATOM 0 HA ARG A 45 -1.100 13.734 -2.431 1.00 53.14 H new ATOM 0 HB2 ARG A 45 0.629 15.648 -2.251 1.00 73.51 H new ATOM 0 HB3 ARG A 45 0.713 15.569 -4.000 1.00 73.51 H new ATOM 0 HG2 ARG A 45 -1.835 16.071 -2.425 1.00 41.22 H new ATOM 0 HG3 ARG A 45 -0.825 17.331 -3.107 1.00 41.22 H new ATOM 0 HD2 ARG A 45 -1.256 16.465 -5.386 1.00 13.14 H new ATOM 0 HD3 ARG A 45 -2.226 15.166 -4.723 1.00 13.14 H new ATOM 0 HE ARG A 45 -3.219 17.688 -3.774 1.00 52.41 H new ATOM 0 HH11 ARG A 45 -3.077 15.760 -6.762 1.00 64.13 H new ATOM 0 HH12 ARG A 45 -4.591 16.428 -7.383 1.00 64.13 H new ATOM 0 HH21 ARG A 45 -5.150 18.490 -4.558 1.00 1.43 H new ATOM 0 HH22 ARG A 45 -5.763 17.974 -6.133 1.00 1.43 H new ATOM 775 N GLY A 46 -1.444 12.238 -4.423 1.00 21.54 N ATOM 776 CA GLY A 46 -1.967 11.627 -5.638 1.00 51.33 C ATOM 777 C GLY A 46 -0.975 10.699 -6.322 1.00 52.30 C ATOM 778 O GLY A 46 -1.282 10.090 -7.350 1.00 0.01 O ATOM 0 H GLY A 46 -1.741 11.780 -3.562 1.00 21.54 H new ATOM 0 HA2 GLY A 46 -2.869 11.066 -5.395 1.00 51.33 H new ATOM 0 HA3 GLY A 46 -2.258 12.413 -6.335 1.00 51.33 H new ATOM 782 N GLN A 47 0.197 10.589 -5.755 1.00 11.45 N ATOM 783 CA GLN A 47 1.204 9.670 -6.231 1.00 42.31 C ATOM 784 C GLN A 47 1.217 8.430 -5.373 1.00 73.12 C ATOM 785 O GLN A 47 0.771 8.458 -4.204 1.00 23.00 O ATOM 786 CB GLN A 47 2.616 10.297 -6.382 1.00 61.42 C ATOM 787 CG GLN A 47 2.858 11.111 -7.666 1.00 23.10 C ATOM 788 CD GLN A 47 1.973 12.332 -7.835 1.00 64.40 C ATOM 789 OE1 GLN A 47 2.319 13.425 -7.391 1.00 11.21 O ATOM 790 NE2 GLN A 47 0.860 12.167 -8.501 1.00 60.34 N ATOM 0 H GLN A 47 0.485 11.137 -4.944 1.00 11.45 H new ATOM 0 HA GLN A 47 0.924 9.393 -7.247 1.00 42.31 H new ATOM 0 HB2 GLN A 47 2.798 10.945 -5.525 1.00 61.42 H new ATOM 0 HB3 GLN A 47 3.354 9.496 -6.338 1.00 61.42 H new ATOM 0 HG2 GLN A 47 3.899 11.432 -7.682 1.00 23.10 H new ATOM 0 HG3 GLN A 47 2.713 10.456 -8.525 1.00 23.10 H new ATOM 0 HE21 GLN A 47 0.609 11.243 -8.853 1.00 60.34 H new ATOM 0 HE22 GLN A 47 0.243 12.962 -8.668 1.00 60.34 H new ATOM 799 N GLU A 48 1.703 7.356 -5.912 1.00 34.24 N ATOM 800 CA GLU A 48 1.630 6.088 -5.238 1.00 74.01 C ATOM 801 C GLU A 48 2.854 5.851 -4.383 1.00 53.31 C ATOM 802 O GLU A 48 3.935 6.345 -4.667 1.00 41.53 O ATOM 803 CB GLU A 48 1.485 4.952 -6.256 1.00 5.12 C ATOM 804 CG GLU A 48 0.327 5.146 -7.207 1.00 0.34 C ATOM 805 CD GLU A 48 0.137 4.008 -8.158 1.00 2.10 C ATOM 806 OE1 GLU A 48 1.000 3.789 -9.036 1.00 24.30 O ATOM 807 OE2 GLU A 48 -0.909 3.350 -8.090 1.00 52.43 O ATOM 0 H GLU A 48 2.159 7.328 -6.824 1.00 34.24 H new ATOM 0 HA GLU A 48 0.754 6.107 -4.589 1.00 74.01 H new ATOM 0 HB2 GLU A 48 2.408 4.868 -6.830 1.00 5.12 H new ATOM 0 HB3 GLU A 48 1.355 4.010 -5.723 1.00 5.12 H new ATOM 0 HG2 GLU A 48 -0.587 5.283 -6.630 1.00 0.34 H new ATOM 0 HG3 GLU A 48 0.485 6.062 -7.776 1.00 0.34 H new ATOM 814 N HIS A 49 2.657 5.122 -3.318 1.00 22.23 N ATOM 815 CA HIS A 49 3.735 4.757 -2.421 1.00 71.14 C ATOM 816 C HIS A 49 4.163 3.373 -2.788 1.00 63.41 C ATOM 817 O HIS A 49 3.338 2.574 -3.246 1.00 45.41 O ATOM 818 CB HIS A 49 3.277 4.738 -0.943 1.00 74.23 C ATOM 819 CG HIS A 49 2.800 6.046 -0.370 1.00 60.43 C ATOM 820 ND1 HIS A 49 3.233 6.550 0.851 1.00 31.34 N ATOM 821 CD2 HIS A 49 1.863 6.904 -0.801 1.00 74.11 C ATOM 822 CE1 HIS A 49 2.568 7.655 1.130 1.00 61.44 C ATOM 823 NE2 HIS A 49 1.734 7.895 0.149 1.00 2.54 N ATOM 0 H HIS A 49 1.744 4.760 -3.042 1.00 22.23 H new ATOM 0 HA HIS A 49 4.538 5.488 -2.517 1.00 71.14 H new ATOM 0 HB2 HIS A 49 2.473 4.009 -0.845 1.00 74.23 H new ATOM 0 HB3 HIS A 49 4.107 4.381 -0.333 1.00 74.23 H new ATOM 0 HD1 HIS A 49 3.953 6.131 1.440 1.00 31.34 H new ATOM 0 HD2 HIS A 49 1.309 6.832 -1.726 1.00 74.11 H new ATOM 0 HE1 HIS A 49 2.691 8.259 2.017 1.00 61.44 H new ATOM 0 HE2 HIS A 49 1.093 8.687 0.096 1.00 2.54 H new ATOM 832 N CYS A 50 5.401 3.072 -2.594 1.00 14.41 N ATOM 833 CA CYS A 50 5.874 1.762 -2.902 1.00 21.34 C ATOM 834 C CYS A 50 6.369 1.085 -1.646 1.00 11.44 C ATOM 835 O CYS A 50 7.203 1.623 -0.919 1.00 74.22 O ATOM 836 CB CYS A 50 6.950 1.827 -3.999 1.00 61.43 C ATOM 837 SG CYS A 50 8.306 3.019 -3.677 1.00 0.31 S ATOM 0 H CYS A 50 6.104 3.712 -2.225 1.00 14.41 H new ATOM 0 HA CYS A 50 5.055 1.159 -3.295 1.00 21.34 H new ATOM 0 HB2 CYS A 50 7.381 0.834 -4.125 1.00 61.43 H new ATOM 0 HB3 CYS A 50 6.471 2.089 -4.943 1.00 61.43 H new ATOM 842 N LEU A 51 5.834 -0.079 -1.385 1.00 42.13 N ATOM 843 CA LEU A 51 6.178 -0.843 -0.226 1.00 62.42 C ATOM 844 C LEU A 51 6.706 -2.188 -0.583 1.00 62.13 C ATOM 845 O LEU A 51 6.267 -2.821 -1.549 1.00 34.41 O ATOM 846 CB LEU A 51 5.004 -0.944 0.753 1.00 40.13 C ATOM 847 CG LEU A 51 4.769 0.266 1.640 1.00 22.41 C ATOM 848 CD1 LEU A 51 3.488 0.100 2.435 1.00 41.01 C ATOM 849 CD2 LEU A 51 5.942 0.465 2.594 1.00 50.31 C ATOM 0 H LEU A 51 5.138 -0.525 -1.983 1.00 42.13 H new ATOM 0 HA LEU A 51 6.981 -0.307 0.280 1.00 62.42 H new ATOM 0 HB2 LEU A 51 4.095 -1.132 0.181 1.00 40.13 H new ATOM 0 HB3 LEU A 51 5.164 -1.812 1.392 1.00 40.13 H new ATOM 0 HG LEU A 51 4.679 1.144 1.000 1.00 22.41 H new ATOM 0 HD11 LEU A 51 3.335 0.976 3.065 1.00 41.01 H new ATOM 0 HD12 LEU A 51 2.646 -0.006 1.751 1.00 41.01 H new ATOM 0 HD13 LEU A 51 3.561 -0.789 3.061 1.00 41.01 H new ATOM 0 HD21 LEU A 51 5.756 1.336 3.222 1.00 50.31 H new ATOM 0 HD22 LEU A 51 6.053 -0.418 3.223 1.00 50.31 H new ATOM 0 HD23 LEU A 51 6.856 0.619 2.020 1.00 50.31 H new ATOM 861 N HIS A 52 7.663 -2.610 0.175 1.00 15.21 N ATOM 862 CA HIS A 52 8.286 -3.892 -0.035 1.00 23.32 C ATOM 863 C HIS A 52 7.602 -4.915 0.897 1.00 22.54 C ATOM 864 O HIS A 52 7.690 -4.804 2.123 1.00 0.40 O ATOM 865 CB HIS A 52 9.805 -3.793 0.215 1.00 61.21 C ATOM 866 CG HIS A 52 10.581 -4.980 -0.259 1.00 33.11 C ATOM 867 ND1 HIS A 52 10.754 -5.477 -1.507 1.00 15.52 N flip ATOM 868 CD2 HIS A 52 11.288 -5.800 0.571 1.00 54.30 C flip ATOM 869 CE1 HIS A 52 11.542 -6.574 -1.401 1.00 32.01 C flip ATOM 870 NE2 HIS A 52 11.848 -6.752 -0.142 1.00 54.10 N flip ATOM 0 H HIS A 52 8.042 -2.081 0.961 1.00 15.21 H new ATOM 0 HA HIS A 52 8.162 -4.222 -1.067 1.00 23.32 H new ATOM 0 HB2 HIS A 52 10.187 -2.901 -0.282 1.00 61.21 H new ATOM 0 HB3 HIS A 52 9.979 -3.662 1.283 1.00 61.21 H new ATOM 0 HD1 HIS A 52 10.363 -5.096 -2.368 1.00 15.52 H new ATOM 0 HD2 HIS A 52 11.374 -5.686 1.641 1.00 54.30 H new ATOM 0 HE1 HIS A 52 11.864 -7.199 -2.221 1.00 32.01 H new ATOM 879 N PRO A 53 6.916 -5.925 0.317 1.00 44.24 N ATOM 880 CA PRO A 53 6.043 -6.878 1.065 1.00 25.05 C ATOM 881 C PRO A 53 6.770 -7.863 1.981 1.00 11.43 C ATOM 882 O PRO A 53 6.148 -8.727 2.573 1.00 52.40 O ATOM 883 CB PRO A 53 5.339 -7.646 -0.049 1.00 51.15 C ATOM 884 CG PRO A 53 6.273 -7.577 -1.205 1.00 54.52 C ATOM 885 CD PRO A 53 6.917 -6.228 -1.131 1.00 62.33 C ATOM 0 HA PRO A 53 5.396 -6.327 1.748 1.00 25.05 H new ATOM 0 HB2 PRO A 53 5.146 -8.678 0.243 1.00 51.15 H new ATOM 0 HB3 PRO A 53 4.375 -7.198 -0.291 1.00 51.15 H new ATOM 0 HG2 PRO A 53 7.019 -8.370 -1.152 1.00 54.52 H new ATOM 0 HG3 PRO A 53 5.739 -7.704 -2.147 1.00 54.52 H new ATOM 0 HD2 PRO A 53 7.928 -6.243 -1.537 1.00 62.33 H new ATOM 0 HD3 PRO A 53 6.357 -5.484 -1.697 1.00 62.33 H new ATOM 893 N LYS A 54 8.060 -7.741 2.098 1.00 11.23 N ATOM 894 CA LYS A 54 8.815 -8.653 2.933 1.00 62.13 C ATOM 895 C LYS A 54 8.803 -8.232 4.411 1.00 15.21 C ATOM 896 O LYS A 54 9.164 -9.008 5.292 1.00 74.11 O ATOM 897 CB LYS A 54 10.229 -8.781 2.425 1.00 41.31 C ATOM 898 CG LYS A 54 10.281 -9.295 1.012 1.00 1.24 C ATOM 899 CD LYS A 54 9.681 -10.669 0.872 1.00 23.34 C ATOM 900 CE LYS A 54 9.596 -11.041 -0.579 1.00 31.32 C ATOM 901 NZ LYS A 54 9.012 -12.377 -0.799 1.00 54.45 N ATOM 0 H LYS A 54 8.617 -7.025 1.631 1.00 11.23 H new ATOM 0 HA LYS A 54 8.329 -9.627 2.875 1.00 62.13 H new ATOM 0 HB2 LYS A 54 10.720 -7.809 2.475 1.00 41.31 H new ATOM 0 HB3 LYS A 54 10.787 -9.454 3.075 1.00 41.31 H new ATOM 0 HG2 LYS A 54 9.751 -8.603 0.358 1.00 1.24 H new ATOM 0 HG3 LYS A 54 11.318 -9.320 0.676 1.00 1.24 H new ATOM 0 HD2 LYS A 54 10.289 -11.398 1.409 1.00 23.34 H new ATOM 0 HD3 LYS A 54 8.688 -10.690 1.321 1.00 23.34 H new ATOM 0 HE2 LYS A 54 8.996 -10.298 -1.104 1.00 31.32 H new ATOM 0 HE3 LYS A 54 10.595 -11.011 -1.015 1.00 31.32 H new ATOM 0 HZ1 LYS A 54 9.148 -12.656 -1.792 1.00 54.45 H new ATOM 0 HZ2 LYS A 54 9.480 -13.067 -0.178 1.00 54.45 H new ATOM 0 HZ3 LYS A 54 7.995 -12.351 -0.583 1.00 54.45 H new ATOM 915 N LEU A 55 8.389 -7.002 4.668 1.00 24.20 N ATOM 916 CA LEU A 55 8.376 -6.458 6.027 1.00 70.20 C ATOM 917 C LEU A 55 7.112 -6.833 6.773 1.00 13.33 C ATOM 918 O LEU A 55 6.021 -6.795 6.217 1.00 42.33 O ATOM 919 CB LEU A 55 8.535 -4.944 6.000 1.00 0.52 C ATOM 920 CG LEU A 55 9.855 -4.428 5.454 1.00 73.34 C ATOM 921 CD1 LEU A 55 9.855 -2.917 5.413 1.00 3.10 C ATOM 922 CD2 LEU A 55 11.006 -4.932 6.303 1.00 13.33 C ATOM 0 H LEU A 55 8.055 -6.355 3.954 1.00 24.20 H new ATOM 0 HA LEU A 55 9.220 -6.897 6.558 1.00 70.20 H new ATOM 0 HB2 LEU A 55 7.727 -4.523 5.402 1.00 0.52 H new ATOM 0 HB3 LEU A 55 8.411 -4.566 7.015 1.00 0.52 H new ATOM 0 HG LEU A 55 9.980 -4.801 4.438 1.00 73.34 H new ATOM 0 HD11 LEU A 55 10.808 -2.564 5.019 1.00 3.10 H new ATOM 0 HD12 LEU A 55 9.046 -2.570 4.770 1.00 3.10 H new ATOM 0 HD13 LEU A 55 9.711 -2.526 6.420 1.00 3.10 H new ATOM 0 HD21 LEU A 55 11.947 -4.555 5.901 1.00 13.33 H new ATOM 0 HD22 LEU A 55 10.883 -4.582 7.328 1.00 13.33 H new ATOM 0 HD23 LEU A 55 11.017 -6.022 6.291 1.00 13.33 H new ATOM 934 N GLN A 56 7.278 -7.166 8.044 1.00 33.45 N ATOM 935 CA GLN A 56 6.194 -7.607 8.928 1.00 41.02 C ATOM 936 C GLN A 56 5.098 -6.549 9.076 1.00 60.20 C ATOM 937 O GLN A 56 3.906 -6.873 9.051 1.00 34.44 O ATOM 938 CB GLN A 56 6.766 -7.949 10.309 1.00 44.44 C ATOM 939 CG GLN A 56 5.738 -8.453 11.310 1.00 21.32 C ATOM 940 CD GLN A 56 6.322 -8.664 12.692 1.00 34.45 C ATOM 941 OE1 GLN A 56 7.261 -7.980 13.100 1.00 51.25 O ATOM 942 NE2 GLN A 56 5.769 -9.585 13.423 1.00 64.22 N ATOM 0 H GLN A 56 8.187 -7.139 8.506 1.00 33.45 H new ATOM 0 HA GLN A 56 5.740 -8.489 8.476 1.00 41.02 H new ATOM 0 HB2 GLN A 56 7.541 -8.707 10.190 1.00 44.44 H new ATOM 0 HB3 GLN A 56 7.248 -7.061 10.718 1.00 44.44 H new ATOM 0 HG2 GLN A 56 4.917 -7.739 11.372 1.00 21.32 H new ATOM 0 HG3 GLN A 56 5.317 -9.392 10.951 1.00 21.32 H new ATOM 0 HE21 GLN A 56 4.993 -10.133 13.052 1.00 64.22 H new ATOM 0 HE22 GLN A 56 6.111 -9.760 14.368 1.00 64.22 H new ATOM 951 N SER A 57 5.489 -5.295 9.209 1.00 30.30 N ATOM 952 CA SER A 57 4.528 -4.229 9.426 1.00 1.23 C ATOM 953 C SER A 57 3.687 -3.997 8.178 1.00 31.22 C ATOM 954 O SER A 57 2.528 -3.546 8.268 1.00 3.03 O ATOM 955 CB SER A 57 5.227 -2.944 9.881 1.00 54.31 C ATOM 956 OG SER A 57 4.287 -1.959 10.308 1.00 53.20 O ATOM 0 H SER A 57 6.462 -4.990 9.171 1.00 30.30 H new ATOM 0 HA SER A 57 3.854 -4.535 10.226 1.00 1.23 H new ATOM 0 HB2 SER A 57 5.913 -3.171 10.697 1.00 54.31 H new ATOM 0 HB3 SER A 57 5.826 -2.545 9.062 1.00 54.31 H new ATOM 0 HG SER A 57 4.631 -1.501 11.103 1.00 53.20 H new ATOM 962 N THR A 58 4.250 -4.323 7.026 1.00 32.54 N ATOM 963 CA THR A 58 3.563 -4.203 5.777 1.00 54.34 C ATOM 964 C THR A 58 2.338 -5.150 5.779 1.00 55.32 C ATOM 965 O THR A 58 1.280 -4.812 5.260 1.00 61.41 O ATOM 966 CB THR A 58 4.517 -4.560 4.607 1.00 54.45 C ATOM 967 OG1 THR A 58 5.722 -3.784 4.725 1.00 71.44 O ATOM 968 CG2 THR A 58 3.872 -4.252 3.265 1.00 14.52 C ATOM 0 H THR A 58 5.202 -4.679 6.944 1.00 32.54 H new ATOM 0 HA THR A 58 3.225 -3.175 5.644 1.00 54.34 H new ATOM 0 HB THR A 58 4.738 -5.626 4.658 1.00 54.45 H new ATOM 0 HG1 THR A 58 6.315 -3.984 3.971 1.00 71.44 H new ATOM 0 HG21 THR A 58 4.562 -4.511 2.462 1.00 14.52 H new ATOM 0 HG22 THR A 58 2.956 -4.834 3.159 1.00 14.52 H new ATOM 0 HG23 THR A 58 3.635 -3.190 3.211 1.00 14.52 H new ATOM 976 N LYS A 59 2.492 -6.322 6.419 1.00 51.15 N ATOM 977 CA LYS A 59 1.417 -7.298 6.520 1.00 64.52 C ATOM 978 C LYS A 59 0.170 -6.747 7.146 1.00 1.14 C ATOM 979 O LYS A 59 -0.912 -6.953 6.603 1.00 3.12 O ATOM 980 CB LYS A 59 1.840 -8.602 7.208 1.00 11.54 C ATOM 981 CG LYS A 59 2.650 -9.539 6.339 1.00 62.40 C ATOM 982 CD LYS A 59 3.990 -8.978 5.952 1.00 33.02 C ATOM 983 CE LYS A 59 4.742 -9.925 5.050 1.00 32.11 C ATOM 984 NZ LYS A 59 4.023 -10.167 3.783 1.00 74.43 N ATOM 0 H LYS A 59 3.359 -6.608 6.873 1.00 51.15 H new ATOM 0 HA LYS A 59 1.179 -7.542 5.485 1.00 64.52 H new ATOM 0 HB2 LYS A 59 2.423 -8.356 8.096 1.00 11.54 H new ATOM 0 HB3 LYS A 59 0.946 -9.125 7.548 1.00 11.54 H new ATOM 0 HG2 LYS A 59 2.797 -10.480 6.869 1.00 62.40 H new ATOM 0 HG3 LYS A 59 2.084 -9.767 5.436 1.00 62.40 H new ATOM 0 HD2 LYS A 59 3.854 -8.022 5.446 1.00 33.02 H new ATOM 0 HD3 LYS A 59 4.578 -8.783 6.849 1.00 33.02 H new ATOM 0 HE2 LYS A 59 5.729 -9.515 4.835 1.00 32.11 H new ATOM 0 HE3 LYS A 59 4.896 -10.872 5.566 1.00 32.11 H new ATOM 0 HZ1 LYS A 59 3.691 -11.152 3.755 1.00 74.43 H new ATOM 0 HZ2 LYS A 59 3.207 -9.525 3.719 1.00 74.43 H new ATOM 0 HZ3 LYS A 59 4.663 -9.994 2.982 1.00 74.43 H new ATOM 998 N ARG A 60 0.290 -6.032 8.266 1.00 44.12 N ATOM 999 CA ARG A 60 -0.884 -5.485 8.854 1.00 62.22 C ATOM 1000 C ARG A 60 -1.482 -4.450 7.995 1.00 11.32 C ATOM 1001 O ARG A 60 -2.613 -4.551 7.695 1.00 71.42 O ATOM 1002 CB ARG A 60 -0.728 -4.924 10.253 1.00 30.51 C ATOM 1003 CG ARG A 60 -0.515 -5.920 11.363 1.00 2.12 C ATOM 1004 CD ARG A 60 0.907 -6.420 11.409 1.00 33.13 C ATOM 1005 NE ARG A 60 1.839 -5.306 11.675 1.00 41.15 N ATOM 1006 CZ ARG A 60 2.964 -5.407 12.384 1.00 3.44 C ATOM 1007 NH1 ARG A 60 3.318 -6.573 12.906 1.00 61.11 N ATOM 1008 NH2 ARG A 60 3.726 -4.335 12.575 1.00 74.52 N ATOM 0 H ARG A 60 1.165 -5.835 8.753 1.00 44.12 H new ATOM 0 HA ARG A 60 -1.540 -6.351 8.947 1.00 62.22 H new ATOM 0 HB2 ARG A 60 0.115 -4.233 10.250 1.00 30.51 H new ATOM 0 HB3 ARG A 60 -1.618 -4.340 10.486 1.00 30.51 H new ATOM 0 HG2 ARG A 60 -0.768 -5.458 12.318 1.00 2.12 H new ATOM 0 HG3 ARG A 60 -1.192 -6.764 11.228 1.00 2.12 H new ATOM 0 HD2 ARG A 60 1.007 -7.179 12.185 1.00 33.13 H new ATOM 0 HD3 ARG A 60 1.162 -6.897 10.463 1.00 33.13 H new ATOM 0 HE ARG A 60 1.605 -4.392 11.288 1.00 41.15 H new ATOM 0 HH11 ARG A 60 2.730 -7.394 12.766 1.00 61.11 H new ATOM 0 HH12 ARG A 60 4.179 -6.649 13.448 1.00 61.11 H new ATOM 0 HH21 ARG A 60 3.450 -3.436 12.179 1.00 74.52 H new ATOM 0 HH22 ARG A 60 4.587 -4.411 13.117 1.00 74.52 H new ATOM 1022 N PHE A 61 -0.698 -3.473 7.559 1.00 42.12 N ATOM 1023 CA PHE A 61 -1.261 -2.355 6.794 1.00 31.11 C ATOM 1024 C PHE A 61 -2.014 -2.857 5.558 1.00 54.11 C ATOM 1025 O PHE A 61 -3.108 -2.402 5.268 1.00 63.42 O ATOM 1026 CB PHE A 61 -0.186 -1.365 6.376 1.00 40.23 C ATOM 1027 CG PHE A 61 -0.745 -0.038 5.859 1.00 13.33 C ATOM 1028 CD1 PHE A 61 -1.040 0.149 4.516 1.00 3.40 C ATOM 1029 CD2 PHE A 61 -0.981 1.019 6.736 1.00 30.04 C ATOM 1030 CE1 PHE A 61 -1.552 1.354 4.061 1.00 31.51 C ATOM 1031 CE2 PHE A 61 -1.493 2.226 6.279 1.00 31.11 C ATOM 1032 CZ PHE A 61 -1.777 2.390 4.945 1.00 45.11 C ATOM 0 H PHE A 61 0.309 -3.425 7.714 1.00 42.12 H new ATOM 0 HA PHE A 61 -1.963 -1.841 7.451 1.00 31.11 H new ATOM 0 HB2 PHE A 61 0.466 -1.168 7.227 1.00 40.23 H new ATOM 0 HB3 PHE A 61 0.431 -1.817 5.599 1.00 40.23 H new ATOM 0 HD1 PHE A 61 -0.868 -0.655 3.816 1.00 3.40 H new ATOM 0 HD2 PHE A 61 -0.762 0.898 7.787 1.00 30.04 H new ATOM 0 HE1 PHE A 61 -1.775 1.483 3.012 1.00 31.51 H new ATOM 0 HE2 PHE A 61 -1.668 3.036 6.972 1.00 31.11 H new ATOM 0 HZ PHE A 61 -2.176 3.328 4.588 1.00 45.11 H new ATOM 1042 N ILE A 62 -1.435 -3.815 4.873 1.00 1.45 N ATOM 1043 CA ILE A 62 -2.047 -4.377 3.683 1.00 25.30 C ATOM 1044 C ILE A 62 -3.310 -5.155 4.024 1.00 35.54 C ATOM 1045 O ILE A 62 -4.372 -4.925 3.450 1.00 63.52 O ATOM 1046 CB ILE A 62 -1.047 -5.275 2.906 1.00 54.42 C ATOM 1047 CG1 ILE A 62 0.172 -4.445 2.463 1.00 34.43 C ATOM 1048 CG2 ILE A 62 -1.712 -5.974 1.726 1.00 3.12 C ATOM 1049 CD1 ILE A 62 -0.171 -3.203 1.671 1.00 32.03 C ATOM 0 H ILE A 62 -0.535 -4.227 5.118 1.00 1.45 H new ATOM 0 HA ILE A 62 -2.327 -3.544 3.038 1.00 25.30 H new ATOM 0 HB ILE A 62 -0.702 -6.062 3.577 1.00 54.42 H new ATOM 0 HG12 ILE A 62 0.737 -4.152 3.348 1.00 34.43 H new ATOM 0 HG13 ILE A 62 0.826 -5.076 1.861 1.00 34.43 H new ATOM 0 HG21 ILE A 62 -0.978 -6.592 1.209 1.00 3.12 H new ATOM 0 HG22 ILE A 62 -2.526 -6.602 2.087 1.00 3.12 H new ATOM 0 HG23 ILE A 62 -2.108 -5.228 1.037 1.00 3.12 H new ATOM 0 HD11 ILE A 62 0.746 -2.679 1.400 1.00 32.03 H new ATOM 0 HD12 ILE A 62 -0.708 -3.486 0.766 1.00 32.03 H new ATOM 0 HD13 ILE A 62 -0.798 -2.548 2.275 1.00 32.03 H new ATOM 1061 N LYS A 63 -3.202 -6.036 4.984 1.00 1.23 N ATOM 1062 CA LYS A 63 -4.342 -6.863 5.378 1.00 72.51 C ATOM 1063 C LYS A 63 -5.415 -6.089 6.110 1.00 4.03 C ATOM 1064 O LYS A 63 -6.607 -6.409 6.020 1.00 4.23 O ATOM 1065 CB LYS A 63 -3.918 -8.138 6.114 1.00 41.45 C ATOM 1066 CG LYS A 63 -3.811 -9.360 5.188 1.00 71.31 C ATOM 1067 CD LYS A 63 -2.883 -9.144 3.994 1.00 4.05 C ATOM 1068 CE LYS A 63 -1.424 -9.140 4.383 1.00 25.15 C ATOM 1069 NZ LYS A 63 -1.002 -10.460 4.871 1.00 32.44 N ATOM 0 H LYS A 63 -2.347 -6.208 5.513 1.00 1.23 H new ATOM 0 HA LYS A 63 -4.806 -7.191 4.448 1.00 72.51 H new ATOM 0 HB2 LYS A 63 -2.955 -7.969 6.596 1.00 41.45 H new ATOM 0 HB3 LYS A 63 -4.637 -8.350 6.905 1.00 41.45 H new ATOM 0 HG2 LYS A 63 -3.454 -10.213 5.765 1.00 71.31 H new ATOM 0 HG3 LYS A 63 -4.805 -9.617 4.823 1.00 71.31 H new ATOM 0 HD2 LYS A 63 -3.056 -9.929 3.258 1.00 4.05 H new ATOM 0 HD3 LYS A 63 -3.129 -8.197 3.514 1.00 4.05 H new ATOM 0 HE2 LYS A 63 -0.816 -8.855 3.524 1.00 25.15 H new ATOM 0 HE3 LYS A 63 -1.253 -8.391 5.157 1.00 25.15 H new ATOM 0 HZ1 LYS A 63 0.035 -10.532 4.826 1.00 32.44 H new ATOM 0 HZ2 LYS A 63 -1.315 -10.583 5.855 1.00 32.44 H new ATOM 0 HZ3 LYS A 63 -1.426 -11.201 4.278 1.00 32.44 H new ATOM 1083 N TRP A 64 -5.001 -5.072 6.800 1.00 3.21 N ATOM 1084 CA TRP A 64 -5.899 -4.233 7.539 1.00 1.30 C ATOM 1085 C TRP A 64 -6.629 -3.363 6.523 1.00 13.13 C ATOM 1086 O TRP A 64 -7.827 -3.089 6.675 1.00 13.53 O ATOM 1087 CB TRP A 64 -5.103 -3.361 8.516 1.00 33.14 C ATOM 1088 CG TRP A 64 -5.822 -2.957 9.763 1.00 43.12 C ATOM 1089 CD1 TRP A 64 -5.626 -3.498 11.003 1.00 3.45 C ATOM 1090 CD2 TRP A 64 -6.834 -1.948 9.917 1.00 15.33 C ATOM 1091 NE1 TRP A 64 -6.449 -2.888 11.912 1.00 34.42 N ATOM 1092 CE2 TRP A 64 -7.202 -1.936 11.272 1.00 1.42 C ATOM 1093 CE3 TRP A 64 -7.463 -1.056 9.043 1.00 52.20 C ATOM 1094 CZ2 TRP A 64 -8.167 -1.068 11.775 1.00 22.23 C ATOM 1095 CZ3 TRP A 64 -8.419 -0.197 9.543 1.00 71.34 C ATOM 1096 CH2 TRP A 64 -8.764 -0.210 10.895 1.00 61.23 C ATOM 0 H TRP A 64 -4.021 -4.796 6.868 1.00 3.21 H new ATOM 0 HA TRP A 64 -6.608 -4.824 8.119 1.00 1.30 H new ATOM 0 HB2 TRP A 64 -4.198 -3.899 8.799 1.00 33.14 H new ATOM 0 HB3 TRP A 64 -4.787 -2.458 7.993 1.00 33.14 H new ATOM 0 HD1 TRP A 64 -4.927 -4.288 11.232 1.00 3.45 H new ATOM 0 HE1 TRP A 64 -6.495 -3.107 12.907 1.00 34.42 H new ATOM 0 HE3 TRP A 64 -7.205 -1.040 7.994 1.00 52.20 H new ATOM 0 HZ2 TRP A 64 -8.434 -1.073 12.822 1.00 22.23 H new ATOM 0 HZ3 TRP A 64 -8.909 0.498 8.877 1.00 71.34 H new ATOM 0 HH2 TRP A 64 -9.520 0.473 11.254 1.00 61.23 H new ATOM 1107 N TYR A 65 -5.906 -2.950 5.441 1.00 24.53 N ATOM 1108 CA TYR A 65 -6.537 -2.187 4.394 1.00 31.42 C ATOM 1109 C TYR A 65 -7.616 -3.000 3.747 1.00 51.31 C ATOM 1110 O TYR A 65 -8.644 -2.484 3.428 1.00 1.24 O ATOM 1111 CB TYR A 65 -5.562 -1.660 3.320 1.00 34.25 C ATOM 1112 CG TYR A 65 -6.288 -0.833 2.263 1.00 14.25 C ATOM 1113 CD1 TYR A 65 -6.789 0.414 2.579 1.00 65.23 C ATOM 1114 CD2 TYR A 65 -6.518 -1.319 0.977 1.00 51.33 C ATOM 1115 CE1 TYR A 65 -7.486 1.162 1.653 1.00 0.04 C ATOM 1116 CE2 TYR A 65 -7.226 -0.571 0.045 1.00 21.21 C ATOM 1117 CZ TYR A 65 -7.704 0.667 0.397 1.00 3.45 C ATOM 1118 OH TYR A 65 -8.414 1.415 -0.514 1.00 44.34 O ATOM 0 H TYR A 65 -4.914 -3.141 5.299 1.00 24.53 H new ATOM 0 HA TYR A 65 -6.958 -1.306 4.878 1.00 31.42 H new ATOM 0 HB2 TYR A 65 -4.792 -1.051 3.794 1.00 34.25 H new ATOM 0 HB3 TYR A 65 -5.056 -2.499 2.843 1.00 34.25 H new ATOM 0 HD1 TYR A 65 -6.632 0.812 3.571 1.00 65.23 H new ATOM 0 HD2 TYR A 65 -6.140 -2.292 0.701 1.00 51.33 H new ATOM 0 HE1 TYR A 65 -7.860 2.139 1.920 1.00 0.04 H new ATOM 0 HE2 TYR A 65 -7.399 -0.960 -0.948 1.00 21.21 H new ATOM 0 HH TYR A 65 -8.227 2.367 -0.373 1.00 44.34 H new ATOM 1128 N ASN A 66 -7.380 -4.293 3.589 1.00 71.10 N ATOM 1129 CA ASN A 66 -8.369 -5.189 2.975 1.00 70.23 C ATOM 1130 C ASN A 66 -9.712 -5.150 3.706 1.00 42.24 C ATOM 1131 O ASN A 66 -10.763 -5.220 3.075 1.00 41.53 O ATOM 1132 CB ASN A 66 -7.855 -6.629 2.870 1.00 42.31 C ATOM 1133 CG ASN A 66 -6.651 -6.764 1.956 1.00 74.40 C ATOM 1134 OD1 ASN A 66 -6.483 -5.988 1.016 1.00 72.33 O ATOM 1135 ND2 ASN A 66 -5.825 -7.760 2.200 1.00 54.22 N ATOM 0 H ASN A 66 -6.515 -4.753 3.875 1.00 71.10 H new ATOM 0 HA ASN A 66 -8.529 -4.817 1.963 1.00 70.23 H new ATOM 0 HB2 ASN A 66 -7.591 -6.988 3.865 1.00 42.31 H new ATOM 0 HB3 ASN A 66 -8.657 -7.269 2.502 1.00 42.31 H new ATOM 0 HD21 ASN A 66 -5.014 -7.908 1.600 1.00 54.22 H new ATOM 0 HD22 ASN A 66 -5.997 -8.383 2.989 1.00 54.22 H new ATOM 1142 N ALA A 67 -9.664 -5.004 5.023 1.00 12.33 N ATOM 1143 CA ALA A 67 -10.878 -4.916 5.836 1.00 14.21 C ATOM 1144 C ALA A 67 -11.522 -3.538 5.666 1.00 14.22 C ATOM 1145 O ALA A 67 -12.718 -3.420 5.381 1.00 15.52 O ATOM 1146 CB ALA A 67 -10.549 -5.170 7.300 1.00 34.20 C ATOM 0 H ALA A 67 -8.797 -4.943 5.556 1.00 12.33 H new ATOM 0 HA ALA A 67 -11.584 -5.677 5.502 1.00 14.21 H new ATOM 0 HB1 ALA A 67 -11.460 -5.102 7.895 1.00 34.20 H new ATOM 0 HB2 ALA A 67 -10.118 -6.165 7.409 1.00 34.20 H new ATOM 0 HB3 ALA A 67 -9.833 -4.425 7.647 1.00 34.20 H new ATOM 1152 N TRP A 68 -10.709 -2.506 5.823 1.00 4.31 N ATOM 1153 CA TRP A 68 -11.139 -1.119 5.639 1.00 42.33 C ATOM 1154 C TRP A 68 -11.664 -0.874 4.222 1.00 1.20 C ATOM 1155 O TRP A 68 -12.616 -0.119 4.019 1.00 62.42 O ATOM 1156 CB TRP A 68 -9.976 -0.172 5.984 1.00 70.20 C ATOM 1157 CG TRP A 68 -10.069 1.203 5.383 1.00 61.52 C ATOM 1158 CD1 TRP A 68 -9.358 1.639 4.323 1.00 61.14 C ATOM 1159 CD2 TRP A 68 -10.913 2.300 5.767 1.00 4.41 C ATOM 1160 NE1 TRP A 68 -9.673 2.922 4.024 1.00 35.54 N ATOM 1161 CE2 TRP A 68 -10.622 3.359 4.882 1.00 64.30 C ATOM 1162 CE3 TRP A 68 -11.873 2.500 6.757 1.00 53.54 C ATOM 1163 CZ2 TRP A 68 -11.244 4.587 4.955 1.00 72.43 C ATOM 1164 CZ3 TRP A 68 -12.495 3.733 6.825 1.00 14.43 C ATOM 1165 CH2 TRP A 68 -12.170 4.758 5.920 1.00 54.44 C ATOM 0 H TRP A 68 -9.727 -2.601 6.083 1.00 4.31 H new ATOM 0 HA TRP A 68 -11.969 -0.917 6.316 1.00 42.33 H new ATOM 0 HB2 TRP A 68 -9.918 -0.074 7.068 1.00 70.20 H new ATOM 0 HB3 TRP A 68 -9.044 -0.632 5.655 1.00 70.20 H new ATOM 0 HD1 TRP A 68 -8.634 1.045 3.785 1.00 61.14 H new ATOM 0 HE1 TRP A 68 -9.260 3.472 3.271 1.00 35.54 H new ATOM 0 HE3 TRP A 68 -12.124 1.713 7.453 1.00 53.54 H new ATOM 0 HZ2 TRP A 68 -10.999 5.382 4.266 1.00 72.43 H new ATOM 0 HZ3 TRP A 68 -13.242 3.911 7.585 1.00 14.43 H new ATOM 0 HH2 TRP A 68 -12.676 5.709 6.000 1.00 54.44 H new ATOM 1176 N ASN A 69 -11.056 -1.526 3.270 1.00 71.43 N ATOM 1177 CA ASN A 69 -11.421 -1.404 1.879 1.00 41.25 C ATOM 1178 C ASN A 69 -12.857 -1.864 1.696 1.00 12.32 C ATOM 1179 O ASN A 69 -13.649 -1.201 1.055 1.00 33.03 O ATOM 1180 CB ASN A 69 -10.488 -2.248 1.010 1.00 72.25 C ATOM 1181 CG ASN A 69 -10.634 -1.942 -0.453 1.00 13.44 C ATOM 1182 OD1 ASN A 69 -10.916 -0.809 -0.823 1.00 1.34 O ATOM 1183 ND2 ASN A 69 -10.472 -2.936 -1.291 1.00 64.34 N ATOM 0 H ASN A 69 -10.281 -2.168 3.437 1.00 71.43 H new ATOM 0 HA ASN A 69 -11.330 -0.362 1.574 1.00 41.25 H new ATOM 0 HB2 ASN A 69 -9.456 -2.073 1.314 1.00 72.25 H new ATOM 0 HB3 ASN A 69 -10.695 -3.305 1.180 1.00 72.25 H new ATOM 0 HD21 ASN A 69 -10.580 -2.781 -2.293 1.00 64.34 H new ATOM 0 HD22 ASN A 69 -10.237 -3.865 -0.941 1.00 64.34 H new ATOM 1190 N GLU A 70 -13.196 -2.979 2.320 1.00 14.13 N ATOM 1191 CA GLU A 70 -14.558 -3.509 2.272 1.00 40.32 C ATOM 1192 C GLU A 70 -15.502 -2.580 3.015 1.00 61.33 C ATOM 1193 O GLU A 70 -16.659 -2.449 2.656 1.00 72.31 O ATOM 1194 CB GLU A 70 -14.626 -4.883 2.916 1.00 32.03 C ATOM 1195 CG GLU A 70 -13.766 -5.944 2.278 1.00 64.32 C ATOM 1196 CD GLU A 70 -13.837 -7.238 3.040 1.00 61.13 C ATOM 1197 OE1 GLU A 70 -14.800 -7.991 2.850 1.00 32.41 O ATOM 1198 OE2 GLU A 70 -12.928 -7.523 3.852 1.00 30.01 O ATOM 0 H GLU A 70 -12.547 -3.541 2.870 1.00 14.13 H new ATOM 0 HA GLU A 70 -14.851 -3.586 1.225 1.00 40.32 H new ATOM 0 HB2 GLU A 70 -14.338 -4.788 3.963 1.00 32.03 H new ATOM 0 HB3 GLU A 70 -15.662 -5.222 2.899 1.00 32.03 H new ATOM 0 HG2 GLU A 70 -14.089 -6.107 1.250 1.00 64.32 H new ATOM 0 HG3 GLU A 70 -12.732 -5.601 2.236 1.00 64.32 H new ATOM 1205 N LYS A 71 -14.997 -1.944 4.046 1.00 73.44 N ATOM 1206 CA LYS A 71 -15.769 -1.024 4.847 1.00 12.13 C ATOM 1207 C LYS A 71 -16.141 0.227 4.039 1.00 22.24 C ATOM 1208 O LYS A 71 -17.189 0.834 4.258 1.00 4.32 O ATOM 1209 CB LYS A 71 -14.971 -0.657 6.109 1.00 61.15 C ATOM 1210 CG LYS A 71 -15.659 0.325 7.043 1.00 53.43 C ATOM 1211 CD LYS A 71 -17.010 -0.194 7.528 1.00 53.41 C ATOM 1212 CE LYS A 71 -16.879 -1.497 8.297 1.00 34.33 C ATOM 1213 NZ LYS A 71 -18.189 -2.003 8.727 1.00 53.20 N ATOM 0 H LYS A 71 -14.031 -2.052 4.355 1.00 73.44 H new ATOM 0 HA LYS A 71 -16.701 -1.502 5.146 1.00 12.13 H new ATOM 0 HB2 LYS A 71 -14.755 -1.571 6.662 1.00 61.15 H new ATOM 0 HB3 LYS A 71 -14.013 -0.235 5.805 1.00 61.15 H new ATOM 0 HG2 LYS A 71 -15.016 0.519 7.902 1.00 53.43 H new ATOM 0 HG3 LYS A 71 -15.800 1.276 6.529 1.00 53.43 H new ATOM 0 HD2 LYS A 71 -17.479 0.556 8.164 1.00 53.41 H new ATOM 0 HD3 LYS A 71 -17.669 -0.343 6.673 1.00 53.41 H new ATOM 0 HE2 LYS A 71 -16.388 -2.242 7.671 1.00 34.33 H new ATOM 0 HE3 LYS A 71 -16.243 -1.344 9.169 1.00 34.33 H new ATOM 0 HZ1 LYS A 71 -18.063 -2.894 9.249 1.00 53.20 H new ATOM 0 HZ2 LYS A 71 -18.647 -1.302 9.344 1.00 53.20 H new ATOM 0 HZ3 LYS A 71 -18.787 -2.172 7.893 1.00 53.20 H new ATOM 1227 N ARG A 72 -15.293 0.598 3.113 1.00 62.43 N ATOM 1228 CA ARG A 72 -15.549 1.769 2.302 1.00 74.21 C ATOM 1229 C ARG A 72 -16.192 1.443 0.953 1.00 63.41 C ATOM 1230 O ARG A 72 -16.899 2.279 0.388 1.00 21.32 O ATOM 1231 CB ARG A 72 -14.288 2.605 2.095 1.00 43.22 C ATOM 1232 CG ARG A 72 -13.130 1.857 1.485 1.00 62.33 C ATOM 1233 CD ARG A 72 -12.011 2.798 1.148 1.00 3.41 C ATOM 1234 NE ARG A 72 -12.404 3.730 0.079 1.00 25.15 N ATOM 1235 CZ ARG A 72 -11.616 4.653 -0.457 1.00 5.03 C ATOM 1236 NH1 ARG A 72 -10.366 4.765 -0.063 1.00 14.22 N ATOM 1237 NH2 ARG A 72 -12.076 5.442 -1.411 1.00 73.01 N ATOM 0 H ARG A 72 -14.422 0.111 2.900 1.00 62.43 H new ATOM 0 HA ARG A 72 -16.271 2.357 2.869 1.00 74.21 H new ATOM 0 HB2 ARG A 72 -14.532 3.454 1.456 1.00 43.22 H new ATOM 0 HB3 ARG A 72 -13.975 3.010 3.057 1.00 43.22 H new ATOM 0 HG2 ARG A 72 -12.775 1.096 2.180 1.00 62.33 H new ATOM 0 HG3 ARG A 72 -13.459 1.338 0.585 1.00 62.33 H new ATOM 0 HD2 ARG A 72 -11.725 3.360 2.037 1.00 3.41 H new ATOM 0 HD3 ARG A 72 -11.136 2.229 0.835 1.00 3.41 H new ATOM 0 HE ARG A 72 -13.357 3.661 -0.278 1.00 25.15 H new ATOM 0 HH11 ARG A 72 -10.000 4.141 0.656 1.00 14.22 H new ATOM 0 HH12 ARG A 72 -9.763 5.476 -0.477 1.00 14.22 H new ATOM 0 HH21 ARG A 72 -13.038 5.342 -1.736 1.00 73.01 H new ATOM 0 HH22 ARG A 72 -11.470 6.151 -1.823 1.00 73.01 H new ATOM 1251 N ARG A 73 -15.967 0.248 0.430 1.00 51.15 N ATOM 1252 CA ARG A 73 -16.502 -0.073 -0.887 1.00 11.41 C ATOM 1253 C ARG A 73 -17.456 -1.240 -0.825 1.00 34.24 C ATOM 1254 O ARG A 73 -17.627 -1.941 -1.820 1.00 22.03 O ATOM 1255 CB ARG A 73 -15.387 -0.353 -1.904 1.00 65.04 C ATOM 1256 CG ARG A 73 -14.645 -1.662 -1.768 1.00 63.54 C ATOM 1257 CD ARG A 73 -13.675 -1.796 -2.909 1.00 62.34 C ATOM 1258 NE ARG A 73 -12.600 -0.811 -2.818 1.00 34.25 N ATOM 1259 CZ ARG A 73 -12.236 0.058 -3.751 1.00 54.11 C ATOM 1260 NH1 ARG A 73 -12.949 0.188 -4.860 1.00 13.40 N ATOM 1261 NH2 ARG A 73 -11.165 0.817 -3.550 1.00 30.20 N ATOM 0 H ARG A 73 -15.434 -0.497 0.879 1.00 51.15 H new ATOM 0 HA ARG A 73 -17.053 0.805 -1.224 1.00 11.41 H new ATOM 0 HB2 ARG A 73 -15.822 -0.313 -2.903 1.00 65.04 H new ATOM 0 HB3 ARG A 73 -14.660 0.456 -1.840 1.00 65.04 H new ATOM 0 HG2 ARG A 73 -14.114 -1.697 -0.817 1.00 63.54 H new ATOM 0 HG3 ARG A 73 -15.348 -2.495 -1.772 1.00 63.54 H new ATOM 0 HD2 ARG A 73 -13.250 -2.800 -2.911 1.00 62.34 H new ATOM 0 HD3 ARG A 73 -14.204 -1.672 -3.854 1.00 62.34 H new ATOM 0 HE ARG A 73 -12.074 -0.789 -1.944 1.00 34.25 H new ATOM 0 HH11 ARG A 73 -13.783 -0.382 -5.000 1.00 13.40 H new ATOM 0 HH12 ARG A 73 -12.664 0.858 -5.574 1.00 13.40 H new ATOM 0 HH21 ARG A 73 -10.632 0.728 -2.685 1.00 30.20 H new ATOM 0 HH22 ARG A 73 -10.875 1.489 -4.261 1.00 30.20 H new ATOM 1275 N VAL A 74 -18.097 -1.400 0.352 1.00 10.02 N ATOM 1276 CA VAL A 74 -19.093 -2.476 0.659 1.00 0.33 C ATOM 1277 C VAL A 74 -19.828 -2.920 -0.593 1.00 41.00 C ATOM 1278 O VAL A 74 -20.689 -2.195 -1.130 1.00 13.32 O ATOM 1279 CB VAL A 74 -20.157 -1.998 1.667 1.00 14.03 C ATOM 1280 CG1 VAL A 74 -21.059 -3.142 2.122 1.00 5.04 C ATOM 1281 CG2 VAL A 74 -19.557 -1.251 2.841 1.00 41.23 C ATOM 0 H VAL A 74 -17.940 -0.774 1.142 1.00 10.02 H new ATOM 0 HA VAL A 74 -18.521 -3.302 1.081 1.00 0.33 H new ATOM 0 HB VAL A 74 -20.784 -1.281 1.137 1.00 14.03 H new ATOM 0 HG11 VAL A 74 -21.795 -2.765 2.832 1.00 5.04 H new ATOM 0 HG12 VAL A 74 -21.571 -3.567 1.259 1.00 5.04 H new ATOM 0 HG13 VAL A 74 -20.455 -3.913 2.601 1.00 5.04 H new ATOM 0 HG21 VAL A 74 -20.352 -0.938 3.518 1.00 41.23 H new ATOM 0 HG22 VAL A 74 -18.864 -1.904 3.372 1.00 41.23 H new ATOM 0 HG23 VAL A 74 -19.023 -0.373 2.479 1.00 41.23 H new ATOM 1291 N TYR A 75 -19.474 -4.092 -1.036 1.00 1.14 N ATOM 1292 CA TYR A 75 -19.939 -4.634 -2.292 1.00 74.52 C ATOM 1293 C TYR A 75 -21.427 -4.821 -2.316 1.00 72.52 C ATOM 1294 O TYR A 75 -22.014 -5.388 -1.372 1.00 63.41 O ATOM 1295 CB TYR A 75 -19.206 -5.930 -2.648 1.00 43.15 C ATOM 1296 CG TYR A 75 -17.722 -5.736 -2.863 1.00 4.34 C ATOM 1297 CD1 TYR A 75 -17.237 -5.285 -4.082 1.00 61.35 C ATOM 1298 CD2 TYR A 75 -16.807 -5.988 -1.847 1.00 34.11 C ATOM 1299 CE1 TYR A 75 -15.887 -5.097 -4.286 1.00 70.44 C ATOM 1300 CE2 TYR A 75 -15.455 -5.798 -2.043 1.00 44.42 C ATOM 1301 CZ TYR A 75 -15.000 -5.354 -3.263 1.00 64.54 C ATOM 1302 OH TYR A 75 -13.650 -5.164 -3.465 1.00 74.12 O ATOM 0 H TYR A 75 -18.843 -4.713 -0.530 1.00 1.14 H new ATOM 0 HA TYR A 75 -19.702 -3.897 -3.059 1.00 74.52 H new ATOM 0 HB2 TYR A 75 -19.359 -6.657 -1.850 1.00 43.15 H new ATOM 0 HB3 TYR A 75 -19.645 -6.352 -3.552 1.00 43.15 H new ATOM 0 HD1 TYR A 75 -17.929 -5.078 -4.885 1.00 61.35 H new ATOM 0 HD2 TYR A 75 -17.161 -6.338 -0.889 1.00 34.11 H new ATOM 0 HE1 TYR A 75 -15.526 -4.750 -5.243 1.00 70.44 H new ATOM 0 HE2 TYR A 75 -14.757 -5.997 -1.243 1.00 44.42 H new ATOM 0 HH TYR A 75 -13.162 -5.389 -2.646 1.00 74.12 H new ATOM 1312 N GLU A 76 -22.025 -4.340 -3.407 1.00 65.43 N ATOM 1313 CA GLU A 76 -23.461 -4.352 -3.640 1.00 53.41 C ATOM 1314 C GLU A 76 -24.162 -3.375 -2.715 1.00 62.23 C ATOM 1315 O GLU A 76 -24.152 -3.535 -1.489 1.00 52.13 O ATOM 1316 CB GLU A 76 -24.066 -5.755 -3.531 1.00 43.15 C ATOM 1317 CG GLU A 76 -23.474 -6.757 -4.499 1.00 11.12 C ATOM 1318 CD GLU A 76 -24.082 -8.115 -4.347 1.00 65.04 C ATOM 1319 OE1 GLU A 76 -23.752 -8.816 -3.364 1.00 22.32 O ATOM 1320 OE2 GLU A 76 -24.882 -8.526 -5.206 1.00 74.21 O ATOM 0 H GLU A 76 -21.502 -3.919 -4.175 1.00 65.43 H new ATOM 0 HA GLU A 76 -23.620 -4.029 -4.669 1.00 53.41 H new ATOM 0 HB2 GLU A 76 -23.927 -6.122 -2.514 1.00 43.15 H new ATOM 0 HB3 GLU A 76 -25.141 -5.691 -3.702 1.00 43.15 H new ATOM 0 HG2 GLU A 76 -23.624 -6.406 -5.520 1.00 11.12 H new ATOM 0 HG3 GLU A 76 -22.398 -6.822 -4.339 1.00 11.12 H new ATOM 1327 N GLU A 77 -24.749 -2.369 -3.303 1.00 21.04 N ATOM 1328 CA GLU A 77 -25.447 -1.335 -2.573 1.00 23.35 C ATOM 1329 C GLU A 77 -26.767 -1.878 -2.038 1.00 5.24 C ATOM 1330 O GLU A 77 -27.741 -1.959 -2.806 1.00 36.34 O ATOM 1331 CB GLU A 77 -25.668 -0.115 -3.478 1.00 4.42 C ATOM 1332 CG GLU A 77 -24.369 0.485 -4.013 1.00 53.14 C ATOM 1333 CD GLU A 77 -24.583 1.663 -4.936 1.00 42.40 C ATOM 1334 OE1 GLU A 77 -24.816 1.446 -6.147 1.00 72.42 O ATOM 1335 OE2 GLU A 77 -24.509 2.824 -4.477 1.00 62.12 O ATOM 1336 OXT GLU A 77 -26.833 -2.251 -0.851 1.00 36.34 O ATOM 0 H GLU A 77 -24.759 -2.238 -4.315 1.00 21.04 H new ATOM 0 HA GLU A 77 -24.844 -1.018 -1.722 1.00 23.35 H new ATOM 0 HB2 GLU A 77 -26.299 -0.404 -4.318 1.00 4.42 H new ATOM 0 HB3 GLU A 77 -26.210 0.649 -2.920 1.00 4.42 H new ATOM 0 HG2 GLU A 77 -23.751 0.800 -3.173 1.00 53.14 H new ATOM 0 HG3 GLU A 77 -23.814 -0.287 -4.545 1.00 53.14 H new TER 1343 GLU A 77