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 65 TYR OH : rot 42:sc= 0.661 USER MOD Set 1.2: A 69 ASN : amide:sc= 0.953 K(o=1.6,f=-4.5!) USER MOD Set 2.1: A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 57 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 1 SER OG : rot -81:sc= 1.28 USER MOD Set 3.2: A 28 HIS : no HD1:sc= -1.38! C(o=-0.11!,f=-7.8!) USER MOD Single : A 1 SER N :NH3+ 151:sc=0.000492 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 110:sc=-0.000726 USER MOD Single : A 11 LYS NZ :NH3+ -141:sc= -1.02 (180deg=-3.07!) USER MOD Single : A 14 TYR OH : rot -81:sc= 0.142 USER MOD Single : A 15 SER OG : rot -41:sc= 0.421 USER MOD Single : A 18 LYS NZ :NH3+ 156:sc= 0.698 (180deg=0.0849) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl 161:sc= -0.133 (180deg=-0.623) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.163) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0794) USER MOD Single : A 33 MET CE :methyl -133:sc= -1.65 (180deg=-4.81!) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0991 USER MOD Single : A 38 THR OG1 : rot -66:sc= 1.28 USER MOD Single : A 39 LYS NZ :NH3+ -172:sc= -0.0162 (180deg=-0.128) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 76:sc= -2.22! USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.808 K(o=-0.81,f=0) USER MOD Single : A 49 HIS : no HE2:sc= -2.5 K(o=-2.5,f=-3.9!) USER MOD Single : A 52 HIS : no HD1:sc= -1.87! C(o=-1.9!,f=-6.4!) USER MOD Single : A 54 LYS NZ :NH3+ -173:sc= 0.563 (180deg=0.403) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot -40:sc= -1.82! USER MOD Single : A 59 LYS NZ :NH3+ 131:sc= -0.0189 (180deg=-0.208) USER MOD Single : A 63 LYS NZ :NH3+ 160:sc= -0.107 (180deg=-0.638) USER MOD Single : A 66 ASN : amide:sc= 1.13 K(o=1.1,f=-0.11) USER MOD Single : A 71 LYS NZ :NH3+ 152:sc= 0.672 (180deg=-0.438!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 19.193 -4.309 -10.911 1.00 53.42 N ATOM 2 CA SER A 1 18.063 -4.484 -10.053 1.00 21.42 C ATOM 3 C SER A 1 18.187 -3.620 -8.818 1.00 3.52 C ATOM 4 O SER A 1 18.993 -3.896 -7.928 1.00 42.22 O ATOM 5 CB SER A 1 17.900 -5.952 -9.656 1.00 22.11 C ATOM 6 OG SER A 1 17.696 -6.779 -10.802 1.00 15.11 O ATOM 0 H1 SER A 1 19.360 -5.184 -11.448 1.00 53.42 H new ATOM 0 H2 SER A 1 19.010 -3.527 -11.571 1.00 53.42 H new ATOM 0 H3 SER A 1 20.033 -4.089 -10.338 1.00 53.42 H new ATOM 0 HA SER A 1 17.175 -4.175 -10.605 1.00 21.42 H new ATOM 0 HB2 SER A 1 18.787 -6.286 -9.117 1.00 22.11 H new ATOM 0 HB3 SER A 1 17.055 -6.055 -8.975 1.00 22.11 H new ATOM 0 HG SER A 1 16.755 -6.736 -11.073 1.00 15.11 H new ATOM 12 N LYS A 2 17.433 -2.554 -8.780 1.00 53.35 N ATOM 13 CA LYS A 2 17.411 -1.728 -7.616 1.00 72.30 C ATOM 14 C LYS A 2 16.255 -2.186 -6.751 1.00 61.24 C ATOM 15 O LYS A 2 16.448 -2.559 -5.595 1.00 24.14 O ATOM 16 CB LYS A 2 17.292 -0.237 -7.979 1.00 62.15 C ATOM 17 CG LYS A 2 17.321 0.702 -6.777 1.00 14.32 C ATOM 18 CD LYS A 2 18.618 0.545 -5.988 1.00 73.01 C ATOM 19 CE LYS A 2 18.634 1.430 -4.759 1.00 74.43 C ATOM 20 NZ LYS A 2 19.857 1.226 -3.943 1.00 11.31 N ATOM 0 H LYS A 2 16.830 -2.243 -9.542 1.00 53.35 H new ATOM 0 HA LYS A 2 18.349 -1.828 -7.070 1.00 72.30 H new ATOM 0 HB2 LYS A 2 18.107 0.028 -8.653 1.00 62.15 H new ATOM 0 HB3 LYS A 2 16.362 -0.081 -8.526 1.00 62.15 H new ATOM 0 HG2 LYS A 2 17.220 1.733 -7.115 1.00 14.32 H new ATOM 0 HG3 LYS A 2 16.470 0.494 -6.129 1.00 14.32 H new ATOM 0 HD2 LYS A 2 18.739 -0.496 -5.689 1.00 73.01 H new ATOM 0 HD3 LYS A 2 19.465 0.793 -6.627 1.00 73.01 H new ATOM 0 HE2 LYS A 2 18.572 2.475 -5.064 1.00 74.43 H new ATOM 0 HE3 LYS A 2 17.754 1.222 -4.151 1.00 74.43 H new ATOM 0 HZ1 LYS A 2 19.828 1.851 -3.112 1.00 11.31 H new ATOM 0 HZ2 LYS A 2 19.904 0.235 -3.630 1.00 11.31 H new ATOM 0 HZ3 LYS A 2 20.697 1.449 -4.514 1.00 11.31 H new ATOM 34 N CYS A 3 15.052 -2.169 -7.343 1.00 35.21 N ATOM 35 CA CYS A 3 13.807 -2.665 -6.719 1.00 54.25 C ATOM 36 C CYS A 3 13.331 -1.861 -5.509 1.00 21.43 C ATOM 37 O CYS A 3 12.168 -1.432 -5.463 1.00 65.41 O ATOM 38 CB CYS A 3 13.899 -4.157 -6.417 1.00 3.14 C ATOM 39 SG CYS A 3 14.081 -5.162 -7.922 1.00 42.32 S ATOM 0 H CYS A 3 14.910 -1.805 -8.285 1.00 35.21 H new ATOM 0 HA CYS A 3 13.029 -2.511 -7.466 1.00 54.25 H new ATOM 0 HB2 CYS A 3 14.747 -4.339 -5.757 1.00 3.14 H new ATOM 0 HB3 CYS A 3 13.004 -4.472 -5.880 1.00 3.14 H new ATOM 44 N LYS A 4 14.198 -1.656 -4.548 1.00 22.12 N ATOM 45 CA LYS A 4 13.866 -0.894 -3.393 1.00 31.33 C ATOM 46 C LYS A 4 13.854 0.592 -3.715 1.00 24.12 C ATOM 47 O LYS A 4 14.862 1.282 -3.637 1.00 43.34 O ATOM 48 CB LYS A 4 14.764 -1.254 -2.175 1.00 12.33 C ATOM 49 CG LYS A 4 16.278 -1.108 -2.402 1.00 12.04 C ATOM 50 CD LYS A 4 17.096 -1.634 -1.214 1.00 63.51 C ATOM 51 CE LYS A 4 16.810 -0.882 0.088 1.00 33.21 C ATOM 52 NZ LYS A 4 17.575 -1.449 1.231 1.00 45.21 N ATOM 0 H LYS A 4 15.152 -2.018 -4.555 1.00 22.12 H new ATOM 0 HA LYS A 4 12.853 -1.159 -3.090 1.00 31.33 H new ATOM 0 HB2 LYS A 4 14.478 -0.621 -1.335 1.00 12.33 H new ATOM 0 HB3 LYS A 4 14.556 -2.284 -1.884 1.00 12.33 H new ATOM 0 HG2 LYS A 4 16.562 -1.649 -3.305 1.00 12.04 H new ATOM 0 HG3 LYS A 4 16.519 -0.058 -2.570 1.00 12.04 H new ATOM 0 HD2 LYS A 4 16.879 -2.693 -1.071 1.00 63.51 H new ATOM 0 HD3 LYS A 4 18.158 -1.555 -1.447 1.00 63.51 H new ATOM 0 HE2 LYS A 4 17.067 0.170 -0.036 1.00 33.21 H new ATOM 0 HE3 LYS A 4 15.743 -0.926 0.307 1.00 33.21 H new ATOM 0 HZ1 LYS A 4 17.355 -0.914 2.095 1.00 45.21 H new ATOM 0 HZ2 LYS A 4 17.311 -2.446 1.365 1.00 45.21 H new ATOM 0 HZ3 LYS A 4 18.594 -1.384 1.033 1.00 45.21 H new ATOM 66 N CYS A 5 12.721 1.038 -4.175 1.00 31.51 N ATOM 67 CA CYS A 5 12.480 2.428 -4.468 1.00 75.14 C ATOM 68 C CYS A 5 12.244 3.173 -3.185 1.00 25.12 C ATOM 69 O CYS A 5 12.748 4.280 -2.987 1.00 42.35 O ATOM 70 CB CYS A 5 11.283 2.536 -5.406 1.00 3.41 C ATOM 71 SG CYS A 5 9.887 1.455 -4.918 1.00 14.02 S ATOM 0 H CYS A 5 11.919 0.436 -4.362 1.00 31.51 H new ATOM 0 HA CYS A 5 13.345 2.872 -4.961 1.00 75.14 H new ATOM 0 HB2 CYS A 5 10.941 3.571 -5.432 1.00 3.41 H new ATOM 0 HB3 CYS A 5 11.597 2.279 -6.418 1.00 3.41 H new ATOM 76 N SER A 6 11.508 2.553 -2.316 1.00 61.20 N ATOM 77 CA SER A 6 11.236 3.065 -1.036 1.00 11.13 C ATOM 78 C SER A 6 11.011 1.868 -0.145 1.00 72.43 C ATOM 79 O SER A 6 10.632 0.792 -0.635 1.00 52.13 O ATOM 80 CB SER A 6 9.997 3.973 -1.079 1.00 61.53 C ATOM 81 OG SER A 6 9.796 4.633 0.157 1.00 24.04 O ATOM 0 H SER A 6 11.072 1.649 -2.497 1.00 61.20 H new ATOM 0 HA SER A 6 12.057 3.676 -0.660 1.00 11.13 H new ATOM 0 HB2 SER A 6 10.113 4.711 -1.873 1.00 61.53 H new ATOM 0 HB3 SER A 6 9.117 3.378 -1.323 1.00 61.53 H new ATOM 0 HG SER A 6 9.988 5.588 0.053 1.00 24.04 H new ATOM 87 N ARG A 7 11.290 2.017 1.116 1.00 20.14 N ATOM 88 CA ARG A 7 11.111 0.927 2.040 1.00 5.20 C ATOM 89 C ARG A 7 9.679 0.918 2.521 1.00 54.52 C ATOM 90 O ARG A 7 9.022 -0.121 2.538 1.00 53.41 O ATOM 91 CB ARG A 7 12.082 1.060 3.207 1.00 14.42 C ATOM 92 CG ARG A 7 13.528 1.169 2.760 1.00 2.40 C ATOM 93 CD ARG A 7 14.477 1.267 3.931 1.00 53.24 C ATOM 94 NE ARG A 7 15.851 1.486 3.484 1.00 55.22 N ATOM 95 CZ ARG A 7 16.941 1.185 4.186 1.00 44.11 C ATOM 96 NH1 ARG A 7 16.837 0.543 5.349 1.00 0.53 N ATOM 97 NH2 ARG A 7 18.140 1.512 3.719 1.00 25.30 N ATOM 0 H ARG A 7 11.642 2.879 1.532 1.00 20.14 H new ATOM 0 HA ARG A 7 11.321 -0.019 1.541 1.00 5.20 H new ATOM 0 HB2 ARG A 7 11.820 1.941 3.793 1.00 14.42 H new ATOM 0 HB3 ARG A 7 11.974 0.197 3.864 1.00 14.42 H new ATOM 0 HG2 ARG A 7 13.787 0.300 2.155 1.00 2.40 H new ATOM 0 HG3 ARG A 7 13.646 2.046 2.124 1.00 2.40 H new ATOM 0 HD2 ARG A 7 14.170 2.084 4.583 1.00 53.24 H new ATOM 0 HD3 ARG A 7 14.426 0.352 4.521 1.00 53.24 H new ATOM 0 HE ARG A 7 15.985 1.902 2.562 1.00 55.22 H new ATOM 0 HH11 ARG A 7 15.918 0.280 5.706 1.00 0.53 H new ATOM 0 HH12 ARG A 7 17.676 0.315 5.882 1.00 0.53 H new ATOM 0 HH21 ARG A 7 18.225 1.993 2.824 1.00 25.30 H new ATOM 0 HH22 ARG A 7 18.976 1.282 4.256 1.00 25.30 H new ATOM 111 N LYS A 8 9.202 2.092 2.891 1.00 72.22 N ATOM 112 CA LYS A 8 7.828 2.280 3.323 1.00 14.12 C ATOM 113 C LYS A 8 7.263 3.541 2.693 1.00 31.11 C ATOM 114 O LYS A 8 6.104 3.591 2.270 1.00 33.31 O ATOM 115 CB LYS A 8 7.716 2.392 4.856 1.00 23.24 C ATOM 116 CG LYS A 8 8.150 1.160 5.628 1.00 61.14 C ATOM 117 CD LYS A 8 7.943 1.340 7.125 1.00 34.02 C ATOM 118 CE LYS A 8 8.344 0.089 7.890 1.00 12.31 C ATOM 119 NZ LYS A 8 8.100 0.212 9.336 1.00 54.04 N ATOM 0 H LYS A 8 9.759 2.947 2.901 1.00 72.22 H new ATOM 0 HA LYS A 8 7.261 1.405 3.004 1.00 14.12 H new ATOM 0 HB2 LYS A 8 8.317 3.239 5.187 1.00 23.24 H new ATOM 0 HB3 LYS A 8 6.681 2.616 5.113 1.00 23.24 H new ATOM 0 HG2 LYS A 8 7.584 0.295 5.283 1.00 61.14 H new ATOM 0 HG3 LYS A 8 9.201 0.955 5.427 1.00 61.14 H new ATOM 0 HD2 LYS A 8 8.530 2.188 7.477 1.00 34.02 H new ATOM 0 HD3 LYS A 8 6.897 1.572 7.325 1.00 34.02 H new ATOM 0 HE2 LYS A 8 7.788 -0.764 7.502 1.00 12.31 H new ATOM 0 HE3 LYS A 8 9.401 -0.115 7.719 1.00 12.31 H new ATOM 0 HZ1 LYS A 8 8.389 -0.666 9.813 1.00 54.04 H new ATOM 0 HZ2 LYS A 8 8.650 1.009 9.714 1.00 54.04 H new ATOM 0 HZ3 LYS A 8 7.087 0.380 9.504 1.00 54.04 H new ATOM 133 N GLY A 9 8.094 4.557 2.637 1.00 60.22 N ATOM 134 CA GLY A 9 7.691 5.820 2.104 1.00 20.43 C ATOM 135 C GLY A 9 7.161 6.707 3.204 1.00 53.15 C ATOM 136 O GLY A 9 7.275 6.339 4.395 1.00 2.42 O ATOM 0 H GLY A 9 9.061 4.523 2.960 1.00 60.22 H new ATOM 0 HA2 GLY A 9 8.537 6.302 1.614 1.00 20.43 H new ATOM 0 HA3 GLY A 9 6.924 5.674 1.344 1.00 20.43 H new ATOM 140 N PRO A 10 6.612 7.894 2.868 1.00 72.21 N ATOM 141 CA PRO A 10 5.954 8.771 3.851 1.00 22.44 C ATOM 142 C PRO A 10 4.827 8.015 4.566 1.00 43.24 C ATOM 143 O PRO A 10 4.319 7.018 4.040 1.00 73.21 O ATOM 144 CB PRO A 10 5.375 9.898 2.990 1.00 41.31 C ATOM 145 CG PRO A 10 6.229 9.918 1.770 1.00 22.10 C ATOM 146 CD PRO A 10 6.629 8.491 1.522 1.00 32.50 C ATOM 0 HA PRO A 10 6.631 9.129 4.627 1.00 22.44 H new ATOM 0 HB2 PRO A 10 4.331 9.709 2.740 1.00 41.31 H new ATOM 0 HB3 PRO A 10 5.409 10.854 3.513 1.00 41.31 H new ATOM 0 HG2 PRO A 10 5.683 10.324 0.918 1.00 22.10 H new ATOM 0 HG3 PRO A 10 7.105 10.549 1.917 1.00 22.10 H new ATOM 0 HD2 PRO A 10 5.932 7.989 0.851 1.00 32.50 H new ATOM 0 HD3 PRO A 10 7.616 8.424 1.065 1.00 32.50 H new ATOM 154 N LYS A 11 4.424 8.492 5.730 1.00 51.01 N ATOM 155 CA LYS A 11 3.456 7.780 6.556 1.00 23.52 C ATOM 156 C LYS A 11 2.100 7.639 5.873 1.00 23.11 C ATOM 157 O LYS A 11 1.477 8.627 5.432 1.00 60.20 O ATOM 158 CB LYS A 11 3.322 8.434 7.938 1.00 2.22 C ATOM 159 CG LYS A 11 2.354 7.721 8.893 1.00 73.33 C ATOM 160 CD LYS A 11 2.733 6.246 9.192 1.00 53.54 C ATOM 161 CE LYS A 11 4.007 6.062 10.052 1.00 32.30 C ATOM 162 NZ LYS A 11 5.272 6.512 9.404 1.00 22.11 N ATOM 0 H LYS A 11 4.751 9.372 6.129 1.00 51.01 H new ATOM 0 HA LYS A 11 3.840 6.770 6.696 1.00 23.52 H new ATOM 0 HB2 LYS A 11 4.307 8.474 8.403 1.00 2.22 H new ATOM 0 HB3 LYS A 11 2.989 9.464 7.807 1.00 2.22 H new ATOM 0 HG2 LYS A 11 2.315 8.273 9.832 1.00 73.33 H new ATOM 0 HG3 LYS A 11 1.352 7.748 8.465 1.00 73.33 H new ATOM 0 HD2 LYS A 11 1.896 5.767 9.701 1.00 53.54 H new ATOM 0 HD3 LYS A 11 2.872 5.723 8.246 1.00 53.54 H new ATOM 0 HE2 LYS A 11 3.880 6.609 10.986 1.00 32.30 H new ATOM 0 HE3 LYS A 11 4.104 5.008 10.311 1.00 32.30 H new ATOM 0 HZ1 LYS A 11 6.037 5.846 9.636 1.00 22.11 H new ATOM 0 HZ2 LYS A 11 5.141 6.544 8.373 1.00 22.11 H new ATOM 0 HZ3 LYS A 11 5.522 7.460 9.751 1.00 22.11 H new ATOM 176 N ILE A 12 1.665 6.409 5.770 1.00 33.22 N ATOM 177 CA ILE A 12 0.433 6.079 5.129 1.00 44.40 C ATOM 178 C ILE A 12 -0.535 5.541 6.155 1.00 65.43 C ATOM 179 O ILE A 12 -0.170 4.688 6.980 1.00 3.31 O ATOM 180 CB ILE A 12 0.635 4.953 4.093 1.00 14.34 C ATOM 181 CG1 ILE A 12 1.829 5.241 3.196 1.00 30.44 C ATOM 182 CG2 ILE A 12 -0.619 4.819 3.236 1.00 12.32 C ATOM 183 CD1 ILE A 12 2.140 4.121 2.237 1.00 34.23 C ATOM 0 H ILE A 12 2.170 5.602 6.137 1.00 33.22 H new ATOM 0 HA ILE A 12 0.060 6.982 4.646 1.00 44.40 H new ATOM 0 HB ILE A 12 0.823 4.024 4.630 1.00 14.34 H new ATOM 0 HG12 ILE A 12 1.637 6.152 2.629 1.00 30.44 H new ATOM 0 HG13 ILE A 12 2.704 5.431 3.818 1.00 30.44 H new ATOM 0 HG21 ILE A 12 -0.476 4.024 2.504 1.00 12.32 H new ATOM 0 HG22 ILE A 12 -1.471 4.578 3.872 1.00 12.32 H new ATOM 0 HG23 ILE A 12 -0.808 5.759 2.718 1.00 12.32 H new ATOM 0 HD11 ILE A 12 3.002 4.392 1.628 1.00 34.23 H new ATOM 0 HD12 ILE A 12 2.363 3.213 2.798 1.00 34.23 H new ATOM 0 HD13 ILE A 12 1.280 3.946 1.591 1.00 34.23 H new ATOM 195 N ARG A 13 -1.718 6.052 6.144 1.00 25.24 N ATOM 196 CA ARG A 13 -2.787 5.503 6.907 1.00 2.31 C ATOM 197 C ARG A 13 -3.791 4.938 5.933 1.00 75.31 C ATOM 198 O ARG A 13 -3.710 5.221 4.741 1.00 45.15 O ATOM 199 CB ARG A 13 -3.418 6.532 7.837 1.00 35.51 C ATOM 200 CG ARG A 13 -2.459 7.081 8.883 1.00 73.21 C ATOM 201 CD ARG A 13 -1.934 5.974 9.785 1.00 42.51 C ATOM 202 NE ARG A 13 -0.985 6.473 10.782 1.00 12.14 N ATOM 203 CZ ARG A 13 -0.420 5.731 11.740 1.00 44.55 C ATOM 204 NH1 ARG A 13 -0.708 4.438 11.844 1.00 24.35 N ATOM 205 NH2 ARG A 13 0.432 6.285 12.591 1.00 73.53 N ATOM 0 H ARG A 13 -1.974 6.874 5.597 1.00 25.24 H new ATOM 0 HA ARG A 13 -2.411 4.717 7.561 1.00 2.31 H new ATOM 0 HB2 ARG A 13 -3.804 7.359 7.241 1.00 35.51 H new ATOM 0 HB3 ARG A 13 -4.271 6.078 8.342 1.00 35.51 H new ATOM 0 HG2 ARG A 13 -1.624 7.578 8.389 1.00 73.21 H new ATOM 0 HG3 ARG A 13 -2.967 7.834 9.486 1.00 73.21 H new ATOM 0 HD2 ARG A 13 -2.771 5.494 10.292 1.00 42.51 H new ATOM 0 HD3 ARG A 13 -1.450 5.211 9.176 1.00 42.51 H new ATOM 0 HE ARG A 13 -0.736 7.461 10.743 1.00 12.14 H new ATOM 0 HH11 ARG A 13 -1.363 4.007 11.191 1.00 24.35 H new ATOM 0 HH12 ARG A 13 -0.274 3.876 12.577 1.00 24.35 H new ATOM 0 HH21 ARG A 13 0.656 7.277 12.515 1.00 73.53 H new ATOM 0 HH22 ARG A 13 0.863 5.719 13.322 1.00 73.53 H new ATOM 219 N TYR A 14 -4.715 4.153 6.405 1.00 2.32 N ATOM 220 CA TYR A 14 -5.667 3.476 5.527 1.00 50.33 C ATOM 221 C TYR A 14 -6.574 4.486 4.837 1.00 33.23 C ATOM 222 O TYR A 14 -7.038 4.270 3.728 1.00 53.31 O ATOM 223 CB TYR A 14 -6.472 2.465 6.322 1.00 25.14 C ATOM 224 CG TYR A 14 -5.584 1.543 7.119 1.00 4.43 C ATOM 225 CD1 TYR A 14 -4.870 0.530 6.504 1.00 22.42 C ATOM 226 CD2 TYR A 14 -5.441 1.708 8.489 1.00 60.30 C ATOM 227 CE1 TYR A 14 -4.044 -0.289 7.229 1.00 12.41 C ATOM 228 CE2 TYR A 14 -4.619 0.888 9.222 1.00 43.40 C ATOM 229 CZ TYR A 14 -3.919 -0.110 8.587 1.00 73.13 C ATOM 230 OH TYR A 14 -3.085 -0.931 9.316 1.00 54.43 O ATOM 0 H TYR A 14 -4.842 3.955 7.398 1.00 2.32 H new ATOM 0 HA TYR A 14 -5.118 2.944 4.750 1.00 50.33 H new ATOM 0 HB2 TYR A 14 -7.150 2.989 6.996 1.00 25.14 H new ATOM 0 HB3 TYR A 14 -7.090 1.877 5.643 1.00 25.14 H new ATOM 0 HD1 TYR A 14 -4.965 0.383 5.438 1.00 22.42 H new ATOM 0 HD2 TYR A 14 -5.986 2.496 8.988 1.00 60.30 H new ATOM 0 HE1 TYR A 14 -3.492 -1.074 6.734 1.00 12.41 H new ATOM 0 HE2 TYR A 14 -4.523 1.026 10.289 1.00 43.40 H new ATOM 0 HH TYR A 14 -3.546 -1.773 9.513 1.00 54.43 H new ATOM 240 N SER A 15 -6.777 5.606 5.494 1.00 2.20 N ATOM 241 CA SER A 15 -7.568 6.684 4.961 1.00 12.52 C ATOM 242 C SER A 15 -6.808 7.434 3.836 1.00 62.44 C ATOM 243 O SER A 15 -7.403 8.210 3.085 1.00 53.22 O ATOM 244 CB SER A 15 -7.890 7.638 6.077 1.00 42.34 C ATOM 245 OG SER A 15 -8.531 6.949 7.151 1.00 22.00 O ATOM 0 H SER A 15 -6.393 5.792 6.420 1.00 2.20 H new ATOM 0 HA SER A 15 -8.483 6.275 4.532 1.00 12.52 H new ATOM 0 HB2 SER A 15 -6.976 8.111 6.434 1.00 42.34 H new ATOM 0 HB3 SER A 15 -8.538 8.433 5.709 1.00 42.34 H new ATOM 0 HG SER A 15 -9.171 6.301 6.789 1.00 22.00 H new ATOM 251 N ASP A 16 -5.496 7.189 3.726 1.00 63.00 N ATOM 252 CA ASP A 16 -4.662 7.827 2.689 1.00 62.05 C ATOM 253 C ASP A 16 -4.759 7.069 1.408 1.00 20.44 C ATOM 254 O ASP A 16 -4.519 7.614 0.341 1.00 4.43 O ATOM 255 CB ASP A 16 -3.150 7.866 3.071 1.00 5.11 C ATOM 256 CG ASP A 16 -2.755 8.867 4.129 1.00 53.31 C ATOM 257 OD1 ASP A 16 -2.956 8.601 5.333 1.00 13.10 O ATOM 258 OD2 ASP A 16 -2.175 9.933 3.760 1.00 3.10 O ATOM 0 H ASP A 16 -4.986 6.554 4.340 1.00 63.00 H new ATOM 0 HA ASP A 16 -5.039 8.845 2.590 1.00 62.05 H new ATOM 0 HB2 ASP A 16 -2.857 6.873 3.413 1.00 5.11 H new ATOM 0 HB3 ASP A 16 -2.574 8.075 2.169 1.00 5.11 H new ATOM 263 N VAL A 17 -5.117 5.818 1.504 1.00 12.35 N ATOM 264 CA VAL A 17 -5.087 4.935 0.352 1.00 23.13 C ATOM 265 C VAL A 17 -6.399 4.983 -0.446 1.00 42.15 C ATOM 266 O VAL A 17 -7.481 4.763 0.106 1.00 23.44 O ATOM 267 CB VAL A 17 -4.822 3.475 0.778 1.00 22.53 C ATOM 268 CG1 VAL A 17 -4.532 2.597 -0.419 1.00 42.34 C ATOM 269 CG2 VAL A 17 -3.732 3.371 1.829 1.00 50.25 C ATOM 0 H VAL A 17 -5.435 5.378 2.368 1.00 12.35 H new ATOM 0 HA VAL A 17 -4.275 5.289 -0.283 1.00 23.13 H new ATOM 0 HB VAL A 17 -5.737 3.107 1.243 1.00 22.53 H new ATOM 0 HG11 VAL A 17 -4.350 1.575 -0.085 1.00 42.34 H new ATOM 0 HG12 VAL A 17 -5.386 2.611 -1.096 1.00 42.34 H new ATOM 0 HG13 VAL A 17 -3.651 2.971 -0.940 1.00 42.34 H new ATOM 0 HG21 VAL A 17 -3.582 2.325 2.096 1.00 50.25 H new ATOM 0 HG22 VAL A 17 -2.803 3.780 1.432 1.00 50.25 H new ATOM 0 HG23 VAL A 17 -4.026 3.933 2.715 1.00 50.25 H new ATOM 279 N LYS A 18 -6.291 5.258 -1.741 1.00 24.33 N ATOM 280 CA LYS A 18 -7.447 5.238 -2.628 1.00 54.33 C ATOM 281 C LYS A 18 -7.579 3.839 -3.185 1.00 61.32 C ATOM 282 O LYS A 18 -8.671 3.307 -3.342 1.00 0.21 O ATOM 283 CB LYS A 18 -7.268 6.184 -3.840 1.00 21.20 C ATOM 284 CG LYS A 18 -8.572 6.330 -4.642 1.00 13.12 C ATOM 285 CD LYS A 18 -8.461 7.017 -6.029 1.00 5.31 C ATOM 286 CE LYS A 18 -7.954 8.470 -6.020 1.00 44.23 C ATOM 287 NZ LYS A 18 -6.481 8.594 -5.909 1.00 72.30 N ATOM 0 H LYS A 18 -5.412 5.498 -2.200 1.00 24.33 H new ATOM 0 HA LYS A 18 -8.317 5.556 -2.053 1.00 54.33 H new ATOM 0 HB2 LYS A 18 -6.943 7.164 -3.492 1.00 21.20 H new ATOM 0 HB3 LYS A 18 -6.482 5.799 -4.490 1.00 21.20 H new ATOM 0 HG2 LYS A 18 -8.996 5.336 -4.787 1.00 13.12 H new ATOM 0 HG3 LYS A 18 -9.282 6.895 -4.038 1.00 13.12 H new ATOM 0 HD2 LYS A 18 -7.794 6.424 -6.655 1.00 5.31 H new ATOM 0 HD3 LYS A 18 -9.443 6.998 -6.502 1.00 5.31 H new ATOM 0 HE2 LYS A 18 -8.282 8.964 -6.935 1.00 44.23 H new ATOM 0 HE3 LYS A 18 -8.417 9.000 -5.188 1.00 44.23 H new ATOM 0 HZ1 LYS A 18 -6.179 9.507 -6.305 1.00 72.30 H new ATOM 0 HZ2 LYS A 18 -6.203 8.541 -4.908 1.00 72.30 H new ATOM 0 HZ3 LYS A 18 -6.027 7.821 -6.436 1.00 72.30 H new ATOM 301 N LYS A 19 -6.431 3.261 -3.465 1.00 23.15 N ATOM 302 CA LYS A 19 -6.307 1.956 -4.103 1.00 74.33 C ATOM 303 C LYS A 19 -5.017 1.316 -3.681 1.00 10.01 C ATOM 304 O LYS A 19 -4.013 2.011 -3.460 1.00 33.33 O ATOM 305 CB LYS A 19 -6.285 2.071 -5.639 1.00 53.44 C ATOM 306 CG LYS A 19 -7.557 2.578 -6.292 1.00 61.42 C ATOM 307 CD LYS A 19 -7.397 2.687 -7.809 1.00 64.23 C ATOM 308 CE LYS A 19 -7.064 1.338 -8.446 1.00 35.42 C ATOM 309 NZ LYS A 19 -6.954 1.429 -9.915 1.00 25.02 N ATOM 0 H LYS A 19 -5.531 3.692 -3.252 1.00 23.15 H new ATOM 0 HA LYS A 19 -7.169 1.362 -3.799 1.00 74.33 H new ATOM 0 HB2 LYS A 19 -5.467 2.734 -5.921 1.00 53.44 H new ATOM 0 HB3 LYS A 19 -6.056 1.089 -6.053 1.00 53.44 H new ATOM 0 HG2 LYS A 19 -8.382 1.905 -6.059 1.00 61.42 H new ATOM 0 HG3 LYS A 19 -7.816 3.554 -5.880 1.00 61.42 H new ATOM 0 HD2 LYS A 19 -8.317 3.076 -8.244 1.00 64.23 H new ATOM 0 HD3 LYS A 19 -6.608 3.402 -8.040 1.00 64.23 H new ATOM 0 HE2 LYS A 19 -6.126 0.966 -8.035 1.00 35.42 H new ATOM 0 HE3 LYS A 19 -7.836 0.614 -8.185 1.00 35.42 H new ATOM 0 HZ1 LYS A 19 -6.727 0.492 -10.305 1.00 25.02 H new ATOM 0 HZ2 LYS A 19 -7.857 1.759 -10.311 1.00 25.02 H new ATOM 0 HZ3 LYS A 19 -6.200 2.100 -10.166 1.00 25.02 H new ATOM 323 N LEU A 20 -5.028 0.022 -3.585 1.00 60.11 N ATOM 324 CA LEU A 20 -3.852 -0.722 -3.231 1.00 54.40 C ATOM 325 C LEU A 20 -3.749 -1.888 -4.196 1.00 14.11 C ATOM 326 O LEU A 20 -4.675 -2.698 -4.302 1.00 3.24 O ATOM 327 CB LEU A 20 -3.990 -1.206 -1.758 1.00 51.11 C ATOM 328 CG LEU A 20 -2.765 -1.846 -1.050 1.00 5.05 C ATOM 329 CD1 LEU A 20 -3.086 -2.049 0.420 1.00 61.32 C ATOM 330 CD2 LEU A 20 -2.374 -3.190 -1.663 1.00 71.30 C ATOM 0 H LEU A 20 -5.854 -0.553 -3.750 1.00 60.11 H new ATOM 0 HA LEU A 20 -2.948 -0.117 -3.300 1.00 54.40 H new ATOM 0 HB2 LEU A 20 -4.304 -0.350 -1.160 1.00 51.11 H new ATOM 0 HB3 LEU A 20 -4.803 -1.932 -1.727 1.00 51.11 H new ATOM 0 HG LEU A 20 -1.923 -1.166 -1.176 1.00 5.05 H new ATOM 0 HD11 LEU A 20 -2.229 -2.498 0.921 1.00 61.32 H new ATOM 0 HD12 LEU A 20 -3.312 -1.087 0.879 1.00 61.32 H new ATOM 0 HD13 LEU A 20 -3.949 -2.708 0.516 1.00 61.32 H new ATOM 0 HD21 LEU A 20 -1.513 -3.595 -1.132 1.00 71.30 H new ATOM 0 HD22 LEU A 20 -3.210 -3.884 -1.581 1.00 71.30 H new ATOM 0 HD23 LEU A 20 -2.120 -3.051 -2.714 1.00 71.30 H new ATOM 342 N GLU A 21 -2.661 -1.973 -4.902 1.00 70.44 N ATOM 343 CA GLU A 21 -2.450 -3.050 -5.828 1.00 23.42 C ATOM 344 C GLU A 21 -1.080 -3.616 -5.611 1.00 12.15 C ATOM 345 O GLU A 21 -0.104 -2.879 -5.499 1.00 22.23 O ATOM 346 CB GLU A 21 -2.671 -2.580 -7.284 1.00 45.31 C ATOM 347 CG GLU A 21 -1.851 -1.372 -7.699 1.00 12.10 C ATOM 348 CD GLU A 21 -2.165 -0.902 -9.097 1.00 32.40 C ATOM 349 OE1 GLU A 21 -3.167 -0.174 -9.279 1.00 13.42 O ATOM 350 OE2 GLU A 21 -1.405 -1.213 -10.030 1.00 15.12 O ATOM 0 H GLU A 21 -1.895 -1.301 -4.854 1.00 70.44 H new ATOM 0 HA GLU A 21 -3.180 -3.840 -5.650 1.00 23.42 H new ATOM 0 HB2 GLU A 21 -2.439 -3.406 -7.956 1.00 45.31 H new ATOM 0 HB3 GLU A 21 -3.727 -2.347 -7.418 1.00 45.31 H new ATOM 0 HG2 GLU A 21 -2.033 -0.557 -6.998 1.00 12.10 H new ATOM 0 HG3 GLU A 21 -0.791 -1.619 -7.633 1.00 12.10 H new ATOM 357 N MET A 22 -0.988 -4.899 -5.497 1.00 4.43 N ATOM 358 CA MET A 22 0.284 -5.480 -5.253 1.00 63.41 C ATOM 359 C MET A 22 0.820 -6.129 -6.527 1.00 13.00 C ATOM 360 O MET A 22 0.277 -7.131 -7.020 1.00 10.43 O ATOM 361 CB MET A 22 0.176 -6.477 -4.091 1.00 50.10 C ATOM 362 CG MET A 22 1.481 -7.118 -3.683 1.00 41.51 C ATOM 363 SD MET A 22 1.314 -8.239 -2.274 1.00 53.21 S ATOM 364 CE MET A 22 0.133 -9.429 -2.913 1.00 43.24 C ATOM 0 H MET A 22 -1.766 -5.554 -5.568 1.00 4.43 H new ATOM 0 HA MET A 22 0.998 -4.708 -4.964 1.00 63.41 H new ATOM 0 HB2 MET A 22 -0.245 -5.963 -3.227 1.00 50.10 H new ATOM 0 HB3 MET A 22 -0.527 -7.262 -4.369 1.00 50.10 H new ATOM 0 HG2 MET A 22 1.889 -7.669 -4.531 1.00 41.51 H new ATOM 0 HG3 MET A 22 2.200 -6.337 -3.435 1.00 41.51 H new ATOM 0 HE1 MET A 22 0.180 -10.343 -2.321 1.00 43.24 H new ATOM 0 HE2 MET A 22 -0.872 -9.011 -2.856 1.00 43.24 H new ATOM 0 HE3 MET A 22 0.372 -9.657 -3.952 1.00 43.24 H new ATOM 374 N LYS A 23 1.859 -5.528 -7.051 1.00 3.12 N ATOM 375 CA LYS A 23 2.572 -5.962 -8.232 1.00 20.00 C ATOM 376 C LYS A 23 3.960 -5.338 -8.220 1.00 53.34 C ATOM 377 O LYS A 23 4.111 -4.230 -7.717 1.00 51.14 O ATOM 378 CB LYS A 23 1.756 -5.709 -9.548 1.00 72.12 C ATOM 379 CG LYS A 23 1.226 -4.283 -9.816 1.00 63.31 C ATOM 380 CD LYS A 23 2.306 -3.270 -10.171 1.00 25.53 C ATOM 381 CE LYS A 23 1.669 -1.934 -10.528 1.00 43.44 C ATOM 382 NZ LYS A 23 2.657 -0.913 -10.936 1.00 5.23 N ATOM 0 H LYS A 23 2.253 -4.679 -6.646 1.00 3.12 H new ATOM 0 HA LYS A 23 2.698 -7.045 -8.214 1.00 20.00 H new ATOM 0 HB2 LYS A 23 2.386 -5.994 -10.390 1.00 72.12 H new ATOM 0 HB3 LYS A 23 0.902 -6.387 -9.546 1.00 72.12 H new ATOM 0 HG2 LYS A 23 0.501 -4.324 -10.629 1.00 63.31 H new ATOM 0 HG3 LYS A 23 0.693 -3.934 -8.932 1.00 63.31 H new ATOM 0 HD2 LYS A 23 2.988 -3.144 -9.330 1.00 25.53 H new ATOM 0 HD3 LYS A 23 2.898 -3.636 -11.010 1.00 25.53 H new ATOM 0 HE2 LYS A 23 0.954 -2.083 -11.337 1.00 43.44 H new ATOM 0 HE3 LYS A 23 1.107 -1.565 -9.670 1.00 43.44 H new ATOM 0 HZ1 LYS A 23 2.165 -0.026 -11.167 1.00 5.23 H new ATOM 0 HZ2 LYS A 23 3.325 -0.746 -10.157 1.00 5.23 H new ATOM 0 HZ3 LYS A 23 3.177 -1.248 -11.772 1.00 5.23 H new ATOM 396 N PRO A 24 4.992 -6.020 -8.725 1.00 53.42 N ATOM 397 CA PRO A 24 6.352 -5.514 -8.652 1.00 5.14 C ATOM 398 C PRO A 24 6.610 -4.340 -9.585 1.00 65.34 C ATOM 399 O PRO A 24 6.055 -4.261 -10.692 1.00 45.33 O ATOM 400 CB PRO A 24 7.209 -6.726 -9.022 1.00 73.31 C ATOM 401 CG PRO A 24 6.339 -7.531 -9.922 1.00 62.14 C ATOM 402 CD PRO A 24 4.925 -7.318 -9.436 1.00 43.21 C ATOM 0 HA PRO A 24 6.577 -5.111 -7.664 1.00 5.14 H new ATOM 0 HB2 PRO A 24 8.129 -6.425 -9.523 1.00 73.31 H new ATOM 0 HB3 PRO A 24 7.499 -7.293 -8.137 1.00 73.31 H new ATOM 0 HG2 PRO A 24 6.448 -7.211 -10.958 1.00 62.14 H new ATOM 0 HG3 PRO A 24 6.609 -8.586 -9.884 1.00 62.14 H new ATOM 0 HD2 PRO A 24 4.217 -7.285 -10.264 1.00 43.21 H new ATOM 0 HD3 PRO A 24 4.604 -8.122 -8.774 1.00 43.21 H new ATOM 410 N LYS A 25 7.456 -3.425 -9.127 1.00 24.00 N ATOM 411 CA LYS A 25 7.842 -2.264 -9.897 1.00 32.31 C ATOM 412 C LYS A 25 8.631 -2.743 -11.110 1.00 23.02 C ATOM 413 O LYS A 25 8.558 -2.184 -12.204 1.00 21.34 O ATOM 414 CB LYS A 25 8.675 -1.353 -9.021 1.00 65.03 C ATOM 415 CG LYS A 25 9.027 -0.038 -9.662 1.00 75.44 C ATOM 416 CD LYS A 25 9.616 0.873 -8.639 1.00 74.33 C ATOM 417 CE LYS A 25 9.965 2.235 -9.215 1.00 23.24 C ATOM 418 NZ LYS A 25 10.975 2.139 -10.286 1.00 33.41 N ATOM 0 H LYS A 25 7.892 -3.474 -8.206 1.00 24.00 H new ATOM 0 HA LYS A 25 6.972 -1.704 -10.240 1.00 32.31 H new ATOM 0 HB2 LYS A 25 8.132 -1.160 -8.096 1.00 65.03 H new ATOM 0 HB3 LYS A 25 9.595 -1.870 -8.749 1.00 65.03 H new ATOM 0 HG2 LYS A 25 9.736 -0.196 -10.475 1.00 75.44 H new ATOM 0 HG3 LYS A 25 8.137 0.415 -10.099 1.00 75.44 H new ATOM 0 HD2 LYS A 25 8.911 0.998 -7.817 1.00 74.33 H new ATOM 0 HD3 LYS A 25 10.513 0.416 -8.222 1.00 74.33 H new ATOM 0 HE2 LYS A 25 9.063 2.704 -9.608 1.00 23.24 H new ATOM 0 HE3 LYS A 25 10.340 2.880 -8.420 1.00 23.24 H new ATOM 0 HZ1 LYS A 25 11.309 3.092 -10.534 1.00 33.41 H new ATOM 0 HZ2 LYS A 25 11.778 1.566 -9.956 1.00 33.41 H new ATOM 0 HZ3 LYS A 25 10.551 1.691 -11.124 1.00 33.41 H new ATOM 432 N TYR A 26 9.370 -3.804 -10.878 1.00 21.34 N ATOM 433 CA TYR A 26 10.067 -4.547 -11.882 1.00 34.53 C ATOM 434 C TYR A 26 9.851 -6.011 -11.600 1.00 71.12 C ATOM 435 O TYR A 26 9.984 -6.429 -10.473 1.00 2.34 O ATOM 436 CB TYR A 26 11.570 -4.222 -11.914 1.00 73.24 C ATOM 437 CG TYR A 26 11.912 -2.910 -12.551 1.00 73.33 C ATOM 438 CD1 TYR A 26 11.973 -1.732 -11.823 1.00 14.42 C ATOM 439 CD2 TYR A 26 12.181 -2.861 -13.906 1.00 22.11 C ATOM 440 CE1 TYR A 26 12.299 -0.537 -12.434 1.00 15.15 C ATOM 441 CE2 TYR A 26 12.507 -1.679 -14.525 1.00 44.52 C ATOM 442 CZ TYR A 26 12.568 -0.518 -13.788 1.00 22.21 C ATOM 443 OH TYR A 26 12.905 0.667 -14.409 1.00 74.13 O ATOM 0 H TYR A 26 9.502 -4.183 -9.940 1.00 21.34 H new ATOM 0 HA TYR A 26 9.676 -4.275 -12.862 1.00 34.53 H new ATOM 0 HB2 TYR A 26 11.951 -4.225 -10.893 1.00 73.24 H new ATOM 0 HB3 TYR A 26 12.089 -5.017 -12.450 1.00 73.24 H new ATOM 0 HD1 TYR A 26 11.763 -1.749 -10.764 1.00 14.42 H new ATOM 0 HD2 TYR A 26 12.134 -3.769 -14.489 1.00 22.11 H new ATOM 0 HE1 TYR A 26 12.343 0.375 -11.857 1.00 15.15 H new ATOM 0 HE2 TYR A 26 12.714 -1.661 -15.585 1.00 44.52 H new ATOM 0 HH TYR A 26 13.063 0.503 -15.362 1.00 74.13 H new ATOM 453 N PRO A 27 9.477 -6.814 -12.604 1.00 22.21 N ATOM 454 CA PRO A 27 9.246 -8.268 -12.421 1.00 22.32 C ATOM 455 C PRO A 27 10.487 -9.001 -11.877 1.00 23.03 C ATOM 456 O PRO A 27 10.380 -10.038 -11.242 1.00 74.43 O ATOM 457 CB PRO A 27 8.915 -8.752 -13.827 1.00 2.13 C ATOM 458 CG PRO A 27 8.405 -7.544 -14.530 1.00 3.05 C ATOM 459 CD PRO A 27 9.192 -6.394 -13.985 1.00 24.03 C ATOM 0 HA PRO A 27 8.462 -8.465 -11.690 1.00 22.32 H new ATOM 0 HB2 PRO A 27 9.796 -9.157 -14.324 1.00 2.13 H new ATOM 0 HB3 PRO A 27 8.167 -9.545 -13.807 1.00 2.13 H new ATOM 0 HG2 PRO A 27 8.538 -7.633 -15.608 1.00 3.05 H new ATOM 0 HG3 PRO A 27 7.338 -7.408 -14.351 1.00 3.05 H new ATOM 0 HD2 PRO A 27 10.107 -6.226 -14.553 1.00 24.03 H new ATOM 0 HD3 PRO A 27 8.623 -5.465 -14.015 1.00 24.03 H new ATOM 467 N HIS A 28 11.647 -8.413 -12.099 1.00 45.14 N ATOM 468 CA HIS A 28 12.923 -8.966 -11.630 1.00 43.34 C ATOM 469 C HIS A 28 13.219 -8.538 -10.168 1.00 33.12 C ATOM 470 O HIS A 28 14.372 -8.455 -9.752 1.00 13.14 O ATOM 471 CB HIS A 28 14.089 -8.558 -12.582 1.00 72.42 C ATOM 472 CG HIS A 28 14.323 -7.072 -12.756 1.00 21.53 C ATOM 473 ND1 HIS A 28 15.179 -6.358 -11.969 1.00 23.23 N ATOM 474 CD2 HIS A 28 13.820 -6.174 -13.653 1.00 52.43 C ATOM 475 CE1 HIS A 28 15.186 -5.106 -12.358 1.00 52.14 C ATOM 476 NE2 HIS A 28 14.388 -4.972 -13.375 1.00 42.32 N ATOM 0 H HIS A 28 11.741 -7.535 -12.610 1.00 45.14 H new ATOM 0 HA HIS A 28 12.841 -10.053 -11.644 1.00 43.34 H new ATOM 0 HB2 HIS A 28 15.009 -9.008 -12.209 1.00 72.42 H new ATOM 0 HB3 HIS A 28 13.897 -8.992 -13.563 1.00 72.42 H new ATOM 0 HD2 HIS A 28 13.105 -6.380 -14.436 1.00 52.43 H new ATOM 0 HE1 HIS A 28 15.763 -4.313 -11.906 1.00 52.14 H new ATOM 0 HE2 HIS A 28 14.216 -4.104 -13.883 1.00 42.32 H new ATOM 485 N CYS A 29 12.170 -8.316 -9.410 1.00 25.11 N ATOM 486 CA CYS A 29 12.259 -7.897 -8.020 1.00 2.45 C ATOM 487 C CYS A 29 11.793 -9.001 -7.062 1.00 44.45 C ATOM 488 O CYS A 29 11.294 -10.042 -7.507 1.00 43.22 O ATOM 489 CB CYS A 29 11.450 -6.620 -7.839 1.00 11.23 C ATOM 490 SG CYS A 29 12.197 -5.185 -8.668 1.00 23.31 S ATOM 0 H CYS A 29 11.212 -8.422 -9.743 1.00 25.11 H new ATOM 0 HA CYS A 29 13.302 -7.700 -7.773 1.00 2.45 H new ATOM 0 HB2 CYS A 29 10.444 -6.775 -8.229 1.00 11.23 H new ATOM 0 HB3 CYS A 29 11.350 -6.407 -6.775 1.00 11.23 H new ATOM 495 N GLU A 30 11.962 -8.777 -5.754 1.00 63.53 N ATOM 496 CA GLU A 30 11.593 -9.756 -4.744 1.00 25.23 C ATOM 497 C GLU A 30 10.126 -9.602 -4.457 1.00 24.11 C ATOM 498 O GLU A 30 9.707 -8.494 -4.135 1.00 24.12 O ATOM 499 CB GLU A 30 12.263 -9.377 -3.445 1.00 60.30 C ATOM 500 CG GLU A 30 13.705 -9.092 -3.485 1.00 64.22 C ATOM 501 CD GLU A 30 14.138 -8.519 -2.171 1.00 11.42 C ATOM 502 OE1 GLU A 30 13.996 -7.296 -1.965 1.00 14.21 O ATOM 503 OE2 GLU A 30 14.566 -9.272 -1.295 1.00 43.21 O ATOM 0 H GLU A 30 12.356 -7.916 -5.375 1.00 63.53 H new ATOM 0 HA GLU A 30 11.864 -10.753 -5.091 1.00 25.23 H new ATOM 0 HB2 GLU A 30 11.757 -8.497 -3.049 1.00 60.30 H new ATOM 0 HB3 GLU A 30 12.099 -10.186 -2.733 1.00 60.30 H new ATOM 0 HG2 GLU A 30 14.261 -10.005 -3.696 1.00 64.22 H new ATOM 0 HG3 GLU A 30 13.926 -8.391 -4.290 1.00 64.22 H new ATOM 510 N GLU A 31 9.363 -10.693 -4.482 1.00 11.04 N ATOM 511 CA GLU A 31 7.921 -10.649 -4.172 1.00 54.42 C ATOM 512 C GLU A 31 7.176 -9.598 -5.090 1.00 63.23 C ATOM 513 O GLU A 31 7.759 -9.047 -6.038 1.00 52.23 O ATOM 514 CB GLU A 31 7.755 -10.362 -2.634 1.00 4.15 C ATOM 515 CG GLU A 31 6.329 -10.302 -2.096 1.00 51.04 C ATOM 516 CD GLU A 31 5.542 -11.540 -2.391 1.00 10.34 C ATOM 517 OE1 GLU A 31 4.896 -11.602 -3.456 1.00 44.21 O ATOM 518 OE2 GLU A 31 5.547 -12.464 -1.563 1.00 24.43 O ATOM 0 H GLU A 31 9.713 -11.623 -4.713 1.00 11.04 H new ATOM 0 HA GLU A 31 7.451 -11.608 -4.392 1.00 54.42 H new ATOM 0 HB2 GLU A 31 8.293 -11.134 -2.084 1.00 4.15 H new ATOM 0 HB3 GLU A 31 8.243 -9.413 -2.411 1.00 4.15 H new ATOM 0 HG2 GLU A 31 6.359 -10.145 -1.018 1.00 51.04 H new ATOM 0 HG3 GLU A 31 5.819 -9.442 -2.529 1.00 51.04 H new ATOM 525 N LYS A 32 5.918 -9.399 -4.869 1.00 34.02 N ATOM 526 CA LYS A 32 5.181 -8.381 -5.558 1.00 0.51 C ATOM 527 C LYS A 32 5.279 -7.096 -4.735 1.00 1.25 C ATOM 528 O LYS A 32 5.158 -7.139 -3.518 1.00 62.22 O ATOM 529 CB LYS A 32 3.718 -8.782 -5.656 1.00 31.23 C ATOM 530 CG LYS A 32 3.449 -10.144 -6.251 1.00 60.14 C ATOM 531 CD LYS A 32 3.934 -10.274 -7.677 1.00 15.43 C ATOM 532 CE LYS A 32 3.578 -11.636 -8.274 1.00 43.02 C ATOM 533 NZ LYS A 32 4.178 -12.772 -7.530 1.00 31.05 N ATOM 0 H LYS A 32 5.366 -9.939 -4.203 1.00 34.02 H new ATOM 0 HA LYS A 32 5.585 -8.241 -6.561 1.00 0.51 H new ATOM 0 HB2 LYS A 32 3.284 -8.751 -4.656 1.00 31.23 H new ATOM 0 HB3 LYS A 32 3.195 -8.035 -6.254 1.00 31.23 H new ATOM 0 HG2 LYS A 32 3.934 -10.904 -5.638 1.00 60.14 H new ATOM 0 HG3 LYS A 32 2.378 -10.343 -6.218 1.00 60.14 H new ATOM 0 HD2 LYS A 32 3.493 -9.484 -8.285 1.00 15.43 H new ATOM 0 HD3 LYS A 32 5.015 -10.134 -7.708 1.00 15.43 H new ATOM 0 HE2 LYS A 32 2.494 -11.749 -8.286 1.00 43.02 H new ATOM 0 HE3 LYS A 32 3.913 -11.671 -9.311 1.00 43.02 H new ATOM 0 HZ1 LYS A 32 4.016 -13.655 -8.055 1.00 31.05 H new ATOM 0 HZ2 LYS A 32 5.201 -12.615 -7.423 1.00 31.05 H new ATOM 0 HZ3 LYS A 32 3.738 -12.842 -6.590 1.00 31.05 H new ATOM 547 N MET A 33 5.506 -5.976 -5.385 1.00 52.32 N ATOM 548 CA MET A 33 5.591 -4.688 -4.662 1.00 51.32 C ATOM 549 C MET A 33 4.241 -4.242 -4.212 1.00 24.12 C ATOM 550 O MET A 33 3.222 -4.587 -4.799 1.00 22.11 O ATOM 551 CB MET A 33 6.221 -3.509 -5.461 1.00 40.22 C ATOM 552 CG MET A 33 7.763 -3.370 -5.569 1.00 33.43 C ATOM 553 SD MET A 33 8.649 -4.664 -6.464 1.00 71.51 S ATOM 554 CE MET A 33 8.629 -5.990 -5.287 1.00 30.12 C ATOM 0 H MET A 33 5.636 -5.911 -6.395 1.00 52.32 H new ATOM 0 HA MET A 33 6.256 -4.909 -3.828 1.00 51.32 H new ATOM 0 HB2 MET A 33 5.830 -3.563 -6.477 1.00 40.22 H new ATOM 0 HB3 MET A 33 5.844 -2.585 -5.023 1.00 40.22 H new ATOM 0 HG2 MET A 33 7.983 -2.416 -6.049 1.00 33.43 H new ATOM 0 HG3 MET A 33 8.169 -3.320 -4.559 1.00 33.43 H new ATOM 0 HE1 MET A 33 9.627 -6.421 -5.208 1.00 30.12 H new ATOM 0 HE2 MET A 33 8.321 -5.608 -4.314 1.00 30.12 H new ATOM 0 HE3 MET A 33 7.927 -6.757 -5.615 1.00 30.12 H new ATOM 564 N VAL A 34 4.246 -3.464 -3.202 1.00 10.53 N ATOM 565 CA VAL A 34 3.054 -2.899 -2.676 1.00 64.43 C ATOM 566 C VAL A 34 2.898 -1.507 -3.243 1.00 32.23 C ATOM 567 O VAL A 34 3.697 -0.609 -2.936 1.00 5.32 O ATOM 568 CB VAL A 34 3.114 -2.829 -1.145 1.00 3.23 C ATOM 569 CG1 VAL A 34 1.895 -2.125 -0.597 1.00 71.25 C ATOM 570 CG2 VAL A 34 3.238 -4.226 -0.549 1.00 20.32 C ATOM 0 H VAL A 34 5.093 -3.192 -2.702 1.00 10.53 H new ATOM 0 HA VAL A 34 2.204 -3.523 -2.953 1.00 64.43 H new ATOM 0 HB VAL A 34 3.997 -2.256 -0.863 1.00 3.23 H new ATOM 0 HG11 VAL A 34 1.956 -2.085 0.491 1.00 71.25 H new ATOM 0 HG12 VAL A 34 1.851 -1.111 -0.995 1.00 71.25 H new ATOM 0 HG13 VAL A 34 0.998 -2.670 -0.890 1.00 71.25 H new ATOM 0 HG21 VAL A 34 3.279 -4.156 0.538 1.00 20.32 H new ATOM 0 HG22 VAL A 34 2.375 -4.824 -0.841 1.00 20.32 H new ATOM 0 HG23 VAL A 34 4.149 -4.699 -0.917 1.00 20.32 H new ATOM 580 N ILE A 35 1.921 -1.333 -4.088 1.00 30.41 N ATOM 581 CA ILE A 35 1.688 -0.060 -4.694 1.00 71.11 C ATOM 582 C ILE A 35 0.522 0.593 -3.992 1.00 4.52 C ATOM 583 O ILE A 35 -0.626 0.137 -4.109 1.00 31.21 O ATOM 584 CB ILE A 35 1.338 -0.196 -6.195 1.00 0.25 C ATOM 585 CG1 ILE A 35 2.345 -1.107 -6.927 1.00 62.05 C ATOM 586 CG2 ILE A 35 1.276 1.179 -6.858 1.00 0.34 C ATOM 587 CD1 ILE A 35 3.795 -0.647 -6.879 1.00 45.04 C ATOM 0 H ILE A 35 1.270 -2.065 -4.372 1.00 30.41 H new ATOM 0 HA ILE A 35 2.597 0.534 -4.606 1.00 71.11 H new ATOM 0 HB ILE A 35 0.355 -0.662 -6.267 1.00 0.25 H new ATOM 0 HG12 ILE A 35 2.284 -2.107 -6.497 1.00 62.05 H new ATOM 0 HG13 ILE A 35 2.042 -1.190 -7.971 1.00 62.05 H new ATOM 0 HG21 ILE A 35 1.029 1.063 -7.913 1.00 0.34 H new ATOM 0 HG22 ILE A 35 0.512 1.784 -6.370 1.00 0.34 H new ATOM 0 HG23 ILE A 35 2.244 1.672 -6.764 1.00 0.34 H new ATOM 0 HD11 ILE A 35 4.420 -1.356 -7.422 1.00 45.04 H new ATOM 0 HD12 ILE A 35 3.880 0.338 -7.338 1.00 45.04 H new ATOM 0 HD13 ILE A 35 4.125 -0.593 -5.842 1.00 45.04 H new ATOM 599 N ILE A 36 0.801 1.616 -3.249 1.00 72.11 N ATOM 600 CA ILE A 36 -0.233 2.310 -2.543 1.00 62.31 C ATOM 601 C ILE A 36 -0.544 3.623 -3.178 1.00 10.11 C ATOM 602 O ILE A 36 0.268 4.535 -3.195 1.00 21.32 O ATOM 603 CB ILE A 36 0.062 2.463 -1.042 1.00 4.34 C ATOM 604 CG1 ILE A 36 0.003 1.092 -0.382 1.00 34.03 C ATOM 605 CG2 ILE A 36 -0.897 3.443 -0.376 1.00 61.53 C ATOM 606 CD1 ILE A 36 0.198 1.127 1.095 1.00 33.42 C ATOM 0 H ILE A 36 1.739 1.992 -3.114 1.00 72.11 H new ATOM 0 HA ILE A 36 -1.123 1.685 -2.615 1.00 62.31 H new ATOM 0 HB ILE A 36 1.062 2.878 -0.919 1.00 4.34 H new ATOM 0 HG12 ILE A 36 -0.962 0.635 -0.601 1.00 34.03 H new ATOM 0 HG13 ILE A 36 0.767 0.453 -0.825 1.00 34.03 H new ATOM 0 HG21 ILE A 36 -0.656 3.524 0.684 1.00 61.53 H new ATOM 0 HG22 ILE A 36 -0.801 4.422 -0.846 1.00 61.53 H new ATOM 0 HG23 ILE A 36 -1.920 3.085 -0.489 1.00 61.53 H new ATOM 0 HD11 ILE A 36 0.143 0.114 1.493 1.00 33.42 H new ATOM 0 HD12 ILE A 36 1.175 1.554 1.323 1.00 33.42 H new ATOM 0 HD13 ILE A 36 -0.581 1.739 1.550 1.00 33.42 H new ATOM 618 N THR A 37 -1.714 3.721 -3.663 1.00 71.34 N ATOM 619 CA THR A 37 -2.152 4.883 -4.363 1.00 74.30 C ATOM 620 C THR A 37 -2.900 5.772 -3.388 1.00 54.53 C ATOM 621 O THR A 37 -3.886 5.343 -2.808 1.00 12.45 O ATOM 622 CB THR A 37 -3.090 4.454 -5.505 1.00 31.33 C ATOM 623 OG1 THR A 37 -2.421 3.462 -6.304 1.00 23.20 O ATOM 624 CG2 THR A 37 -3.461 5.639 -6.381 1.00 10.42 C ATOM 0 H THR A 37 -2.419 2.988 -3.590 1.00 71.34 H new ATOM 0 HA THR A 37 -1.303 5.425 -4.781 1.00 74.30 H new ATOM 0 HB THR A 37 -4.005 4.047 -5.075 1.00 31.33 H new ATOM 0 HG1 THR A 37 -3.010 3.179 -7.035 1.00 23.20 H new ATOM 0 HG21 THR A 37 -4.124 5.307 -7.180 1.00 10.42 H new ATOM 0 HG22 THR A 37 -3.968 6.393 -5.778 1.00 10.42 H new ATOM 0 HG23 THR A 37 -2.558 6.068 -6.814 1.00 10.42 H new ATOM 632 N THR A 38 -2.428 6.983 -3.184 1.00 64.32 N ATOM 633 CA THR A 38 -3.065 7.861 -2.231 1.00 34.21 C ATOM 634 C THR A 38 -4.305 8.576 -2.794 1.00 45.04 C ATOM 635 O THR A 38 -4.565 8.530 -4.000 1.00 15.12 O ATOM 636 CB THR A 38 -2.073 8.817 -1.531 1.00 35.35 C ATOM 637 OG1 THR A 38 -1.217 9.480 -2.478 1.00 41.52 O ATOM 638 CG2 THR A 38 -1.239 8.070 -0.520 1.00 33.41 C ATOM 0 H THR A 38 -1.616 7.377 -3.659 1.00 64.32 H new ATOM 0 HA THR A 38 -3.445 7.209 -1.445 1.00 34.21 H new ATOM 0 HB THR A 38 -2.662 9.577 -1.018 1.00 35.35 H new ATOM 0 HG1 THR A 38 -0.630 8.822 -2.905 1.00 41.52 H new ATOM 0 HG21 THR A 38 -0.547 8.760 -0.038 1.00 33.41 H new ATOM 0 HG22 THR A 38 -1.891 7.625 0.232 1.00 33.41 H new ATOM 0 HG23 THR A 38 -0.676 7.284 -1.023 1.00 33.41 H new ATOM 646 N LYS A 39 -5.088 9.193 -1.914 1.00 43.00 N ATOM 647 CA LYS A 39 -6.360 9.798 -2.304 1.00 1.32 C ATOM 648 C LYS A 39 -6.197 11.104 -3.054 1.00 14.10 C ATOM 649 O LYS A 39 -6.694 11.220 -4.167 1.00 51.34 O ATOM 650 CB LYS A 39 -7.168 10.092 -1.038 1.00 10.41 C ATOM 651 CG LYS A 39 -7.590 8.876 -0.232 1.00 65.24 C ATOM 652 CD LYS A 39 -8.618 8.026 -0.964 1.00 54.25 C ATOM 653 CE LYS A 39 -9.893 8.809 -1.275 1.00 11.34 C ATOM 654 NZ LYS A 39 -10.536 9.355 -0.060 1.00 64.11 N ATOM 0 H LYS A 39 -4.864 9.288 -0.923 1.00 43.00 H new ATOM 0 HA LYS A 39 -6.858 9.090 -2.966 1.00 1.32 H new ATOM 0 HB2 LYS A 39 -6.578 10.745 -0.395 1.00 10.41 H new ATOM 0 HB3 LYS A 39 -8.063 10.647 -1.320 1.00 10.41 H new ATOM 0 HG2 LYS A 39 -6.713 8.269 -0.008 1.00 65.24 H new ATOM 0 HG3 LYS A 39 -8.004 9.201 0.722 1.00 65.24 H new ATOM 0 HD2 LYS A 39 -8.185 7.654 -1.893 1.00 54.25 H new ATOM 0 HD3 LYS A 39 -8.866 7.155 -0.357 1.00 54.25 H new ATOM 0 HE2 LYS A 39 -9.656 9.627 -1.955 1.00 11.34 H new ATOM 0 HE3 LYS A 39 -10.597 8.158 -1.793 1.00 11.34 H new ATOM 0 HZ1 LYS A 39 -11.462 9.758 -0.309 1.00 64.11 H new ATOM 0 HZ2 LYS A 39 -10.666 8.593 0.636 1.00 64.11 H new ATOM 0 HZ3 LYS A 39 -9.933 10.098 0.348 1.00 64.11 H new ATOM 668 N SER A 40 -5.415 12.020 -2.468 1.00 32.21 N ATOM 669 CA SER A 40 -5.226 13.410 -2.958 1.00 3.25 C ATOM 670 C SER A 40 -4.859 14.265 -1.745 1.00 3.31 C ATOM 671 O SER A 40 -3.750 14.772 -1.634 1.00 22.23 O ATOM 672 CB SER A 40 -6.545 13.984 -3.568 1.00 74.55 C ATOM 673 OG SER A 40 -6.384 15.301 -4.063 1.00 72.45 O ATOM 0 H SER A 40 -4.881 11.821 -1.622 1.00 32.21 H new ATOM 0 HA SER A 40 -4.456 13.419 -3.730 1.00 3.25 H new ATOM 0 HB2 SER A 40 -6.881 13.334 -4.376 1.00 74.55 H new ATOM 0 HB3 SER A 40 -7.326 13.978 -2.808 1.00 74.55 H new ATOM 0 HG SER A 40 -7.234 15.617 -4.436 1.00 72.45 H new ATOM 679 N VAL A 41 -5.809 14.348 -0.792 1.00 30.42 N ATOM 680 CA VAL A 41 -5.662 15.132 0.454 1.00 33.33 C ATOM 681 C VAL A 41 -4.625 14.457 1.368 1.00 33.12 C ATOM 682 O VAL A 41 -4.088 15.056 2.308 1.00 53.43 O ATOM 683 CB VAL A 41 -7.038 15.234 1.194 1.00 74.40 C ATOM 684 CG1 VAL A 41 -6.956 16.111 2.442 1.00 53.45 C ATOM 685 CG2 VAL A 41 -8.121 15.748 0.252 1.00 61.55 C ATOM 0 H VAL A 41 -6.707 13.870 -0.865 1.00 30.42 H new ATOM 0 HA VAL A 41 -5.324 16.138 0.204 1.00 33.33 H new ATOM 0 HB VAL A 41 -7.302 14.228 1.519 1.00 74.40 H new ATOM 0 HG11 VAL A 41 -7.934 16.153 2.922 1.00 53.45 H new ATOM 0 HG12 VAL A 41 -6.228 15.690 3.136 1.00 53.45 H new ATOM 0 HG13 VAL A 41 -6.647 17.118 2.160 1.00 53.45 H new ATOM 0 HG21 VAL A 41 -9.069 15.811 0.787 1.00 61.55 H new ATOM 0 HG22 VAL A 41 -7.845 16.737 -0.115 1.00 61.55 H new ATOM 0 HG23 VAL A 41 -8.225 15.064 -0.591 1.00 61.55 H new ATOM 695 N SER A 42 -4.338 13.231 1.037 1.00 22.45 N ATOM 696 CA SER A 42 -3.388 12.398 1.711 1.00 2.41 C ATOM 697 C SER A 42 -1.971 13.000 1.612 1.00 10.32 C ATOM 698 O SER A 42 -1.699 13.811 0.719 1.00 33.03 O ATOM 699 CB SER A 42 -3.447 11.072 1.006 1.00 33.41 C ATOM 700 OG SER A 42 -3.404 11.301 -0.408 1.00 3.53 O ATOM 0 H SER A 42 -4.784 12.763 0.249 1.00 22.45 H new ATOM 0 HA SER A 42 -3.616 12.303 2.773 1.00 2.41 H new ATOM 0 HB2 SER A 42 -2.611 10.444 1.313 1.00 33.41 H new ATOM 0 HB3 SER A 42 -4.360 10.541 1.275 1.00 33.41 H new ATOM 0 HG SER A 42 -2.488 11.525 -0.675 1.00 3.53 H new ATOM 706 N ARG A 43 -1.075 12.563 2.493 1.00 52.43 N ATOM 707 CA ARG A 43 0.281 13.140 2.597 1.00 71.34 C ATOM 708 C ARG A 43 1.075 13.070 1.290 1.00 12.22 C ATOM 709 O ARG A 43 1.850 13.978 0.983 1.00 50.54 O ATOM 710 CB ARG A 43 1.090 12.472 3.718 1.00 43.02 C ATOM 711 CG ARG A 43 0.479 12.605 5.098 1.00 60.31 C ATOM 712 CD ARG A 43 1.371 11.986 6.162 1.00 63.12 C ATOM 713 NE ARG A 43 0.782 12.077 7.505 1.00 15.13 N ATOM 714 CZ ARG A 43 1.456 11.878 8.650 1.00 12.33 C ATOM 715 NH1 ARG A 43 2.769 11.645 8.625 1.00 3.32 N ATOM 716 NH2 ARG A 43 0.822 11.922 9.815 1.00 60.30 N ATOM 0 H ARG A 43 -1.256 11.807 3.153 1.00 52.43 H new ATOM 0 HA ARG A 43 0.127 14.193 2.832 1.00 71.34 H new ATOM 0 HB2 ARG A 43 1.204 11.413 3.485 1.00 43.02 H new ATOM 0 HB3 ARG A 43 2.090 12.904 3.734 1.00 43.02 H new ATOM 0 HG2 ARG A 43 0.316 13.659 5.325 1.00 60.31 H new ATOM 0 HG3 ARG A 43 -0.498 12.121 5.113 1.00 60.31 H new ATOM 0 HD2 ARG A 43 1.552 10.939 5.917 1.00 63.12 H new ATOM 0 HD3 ARG A 43 2.339 12.487 6.158 1.00 63.12 H new ATOM 0 HE ARG A 43 -0.209 12.308 7.573 1.00 15.13 H new ATOM 0 HH11 ARG A 43 3.265 11.617 7.734 1.00 3.32 H new ATOM 0 HH12 ARG A 43 3.277 11.494 9.497 1.00 3.32 H new ATOM 0 HH21 ARG A 43 -0.181 12.107 9.843 1.00 60.30 H new ATOM 0 HH22 ARG A 43 1.337 11.770 10.682 1.00 60.30 H new ATOM 730 N TYR A 44 0.878 12.011 0.522 1.00 70.34 N ATOM 731 CA TYR A 44 1.631 11.817 -0.684 1.00 51.25 C ATOM 732 C TYR A 44 0.911 12.450 -1.902 1.00 32.04 C ATOM 733 O TYR A 44 1.293 12.236 -3.046 1.00 74.00 O ATOM 734 CB TYR A 44 1.878 10.336 -0.861 1.00 34.13 C ATOM 735 CG TYR A 44 3.072 9.996 -1.699 1.00 15.20 C ATOM 736 CD1 TYR A 44 4.284 10.600 -1.448 1.00 51.04 C ATOM 737 CD2 TYR A 44 2.994 9.081 -2.712 1.00 64.40 C ATOM 738 CE1 TYR A 44 5.404 10.296 -2.200 1.00 63.31 C ATOM 739 CE2 TYR A 44 4.102 8.763 -3.473 1.00 22.33 C ATOM 740 CZ TYR A 44 5.303 9.373 -3.213 1.00 31.32 C ATOM 741 OH TYR A 44 6.409 9.056 -3.971 1.00 43.53 O ATOM 0 H TYR A 44 0.199 11.277 0.722 1.00 70.34 H new ATOM 0 HA TYR A 44 2.593 12.325 -0.611 1.00 51.25 H new ATOM 0 HB2 TYR A 44 2.000 9.882 0.122 1.00 34.13 H new ATOM 0 HB3 TYR A 44 0.994 9.886 -1.313 1.00 34.13 H new ATOM 0 HD1 TYR A 44 4.361 11.324 -0.650 1.00 51.04 H new ATOM 0 HD2 TYR A 44 2.050 8.599 -2.921 1.00 64.40 H new ATOM 0 HE1 TYR A 44 6.348 10.779 -1.993 1.00 63.31 H new ATOM 0 HE2 TYR A 44 4.023 8.037 -4.269 1.00 22.33 H new ATOM 0 HH TYR A 44 6.164 8.386 -4.643 1.00 43.53 H new ATOM 751 N ARG A 45 -0.143 13.213 -1.607 1.00 23.12 N ATOM 752 CA ARG A 45 -0.858 14.073 -2.550 1.00 61.54 C ATOM 753 C ARG A 45 -1.494 13.327 -3.773 1.00 14.32 C ATOM 754 O ARG A 45 -1.803 13.937 -4.794 1.00 51.31 O ATOM 755 CB ARG A 45 0.089 15.194 -2.970 1.00 21.03 C ATOM 756 CG ARG A 45 -0.575 16.374 -3.615 1.00 54.44 C ATOM 757 CD ARG A 45 0.427 17.482 -3.857 1.00 4.45 C ATOM 758 NE ARG A 45 1.035 17.953 -2.597 1.00 11.21 N ATOM 759 CZ ARG A 45 2.051 18.819 -2.511 1.00 42.21 C ATOM 760 NH1 ARG A 45 2.596 19.325 -3.611 1.00 64.23 N ATOM 761 NH2 ARG A 45 2.519 19.176 -1.324 1.00 72.11 N ATOM 0 H ARG A 45 -0.537 13.250 -0.667 1.00 23.12 H new ATOM 0 HA ARG A 45 -1.731 14.482 -2.040 1.00 61.54 H new ATOM 0 HB2 ARG A 45 0.634 15.538 -2.091 1.00 21.03 H new ATOM 0 HB3 ARG A 45 0.826 14.787 -3.662 1.00 21.03 H new ATOM 0 HG2 ARG A 45 -1.027 16.072 -4.560 1.00 54.44 H new ATOM 0 HG3 ARG A 45 -1.381 16.738 -2.978 1.00 54.44 H new ATOM 0 HD2 ARG A 45 1.209 17.125 -4.527 1.00 4.45 H new ATOM 0 HD3 ARG A 45 -0.066 18.316 -4.357 1.00 4.45 H new ATOM 0 HE ARG A 45 0.651 17.590 -1.725 1.00 11.21 H new ATOM 0 HH11 ARG A 45 2.240 19.054 -4.528 1.00 64.23 H new ATOM 0 HH12 ARG A 45 3.370 19.985 -3.539 1.00 64.23 H new ATOM 0 HH21 ARG A 45 2.105 18.790 -0.475 1.00 72.11 H new ATOM 0 HH22 ARG A 45 3.294 19.836 -1.259 1.00 72.11 H new ATOM 775 N GLY A 46 -1.741 12.041 -3.638 1.00 31.11 N ATOM 776 CA GLY A 46 -2.403 11.312 -4.712 1.00 51.31 C ATOM 777 C GLY A 46 -1.438 10.525 -5.564 1.00 64.11 C ATOM 778 O GLY A 46 -1.835 9.891 -6.540 1.00 1.33 O ATOM 0 H GLY A 46 -1.502 11.484 -2.817 1.00 31.11 H new ATOM 0 HA2 GLY A 46 -3.140 10.633 -4.284 1.00 51.31 H new ATOM 0 HA3 GLY A 46 -2.946 12.016 -5.342 1.00 51.31 H new ATOM 782 N GLN A 47 -0.188 10.564 -5.194 1.00 30.34 N ATOM 783 CA GLN A 47 0.867 9.830 -5.875 1.00 10.11 C ATOM 784 C GLN A 47 0.914 8.387 -5.359 1.00 13.50 C ATOM 785 O GLN A 47 0.395 8.087 -4.249 1.00 11.42 O ATOM 786 CB GLN A 47 2.212 10.511 -5.671 1.00 4.33 C ATOM 787 CG GLN A 47 2.265 11.948 -6.149 1.00 23.22 C ATOM 788 CD GLN A 47 3.596 12.619 -5.856 1.00 34.03 C ATOM 789 OE1 GLN A 47 3.651 13.826 -5.643 1.00 1.14 O ATOM 790 NE2 GLN A 47 4.668 11.862 -5.853 1.00 51.24 N ATOM 0 H GLN A 47 0.142 11.112 -4.400 1.00 30.34 H new ATOM 0 HA GLN A 47 0.651 9.817 -6.943 1.00 10.11 H new ATOM 0 HB2 GLN A 47 2.462 10.484 -4.610 1.00 4.33 H new ATOM 0 HB3 GLN A 47 2.978 9.939 -6.194 1.00 4.33 H new ATOM 0 HG2 GLN A 47 2.078 11.976 -7.223 1.00 23.22 H new ATOM 0 HG3 GLN A 47 1.465 12.514 -5.672 1.00 23.22 H new ATOM 0 HE21 GLN A 47 4.586 10.862 -6.034 1.00 51.24 H new ATOM 0 HE22 GLN A 47 5.583 12.274 -5.670 1.00 51.24 H new ATOM 799 N GLU A 48 1.492 7.490 -6.143 1.00 73.11 N ATOM 800 CA GLU A 48 1.579 6.096 -5.754 1.00 71.21 C ATOM 801 C GLU A 48 2.876 5.817 -4.984 1.00 22.41 C ATOM 802 O GLU A 48 3.978 6.117 -5.445 1.00 50.52 O ATOM 803 CB GLU A 48 1.524 5.131 -6.966 1.00 24.15 C ATOM 804 CG GLU A 48 0.231 5.111 -7.800 1.00 33.11 C ATOM 805 CD GLU A 48 -0.041 6.387 -8.563 1.00 61.10 C ATOM 806 OE1 GLU A 48 0.801 6.779 -9.401 1.00 62.33 O ATOM 807 OE2 GLU A 48 -1.111 6.980 -8.382 1.00 50.14 O ATOM 0 H GLU A 48 1.906 7.704 -7.050 1.00 73.11 H new ATOM 0 HA GLU A 48 0.711 5.914 -5.120 1.00 71.21 H new ATOM 0 HB2 GLU A 48 2.350 5.380 -7.632 1.00 24.15 H new ATOM 0 HB3 GLU A 48 1.704 4.120 -6.600 1.00 24.15 H new ATOM 0 HG2 GLU A 48 0.282 4.283 -8.507 1.00 33.11 H new ATOM 0 HG3 GLU A 48 -0.611 4.912 -7.137 1.00 33.11 H new ATOM 814 N HIS A 49 2.707 5.251 -3.812 1.00 62.25 N ATOM 815 CA HIS A 49 3.800 4.826 -2.946 1.00 64.43 C ATOM 816 C HIS A 49 4.255 3.469 -3.351 1.00 62.22 C ATOM 817 O HIS A 49 3.497 2.711 -3.970 1.00 11.24 O ATOM 818 CB HIS A 49 3.362 4.656 -1.483 1.00 55.43 C ATOM 819 CG HIS A 49 3.037 5.863 -0.694 1.00 12.13 C ATOM 820 ND1 HIS A 49 3.950 6.470 0.120 1.00 74.53 N ATOM 821 CD2 HIS A 49 1.874 6.501 -0.494 1.00 50.34 C ATOM 822 CE1 HIS A 49 3.366 7.431 0.797 1.00 52.51 C ATOM 823 NE2 HIS A 49 2.100 7.476 0.448 1.00 5.24 N ATOM 0 H HIS A 49 1.785 5.065 -3.417 1.00 62.25 H new ATOM 0 HA HIS A 49 4.567 5.595 -3.036 1.00 64.43 H new ATOM 0 HB2 HIS A 49 2.485 4.009 -1.474 1.00 55.43 H new ATOM 0 HB3 HIS A 49 4.156 4.123 -0.960 1.00 55.43 H new ATOM 0 HD1 HIS A 49 4.935 6.216 0.191 1.00 74.53 H new ATOM 0 HD2 HIS A 49 0.935 6.288 -0.982 1.00 50.34 H new ATOM 0 HE1 HIS A 49 3.845 8.076 1.519 1.00 52.51 H new ATOM 832 N CYS A 50 5.452 3.149 -3.002 1.00 1.23 N ATOM 833 CA CYS A 50 5.920 1.820 -3.167 1.00 24.54 C ATOM 834 C CYS A 50 6.460 1.371 -1.832 1.00 72.15 C ATOM 835 O CYS A 50 7.278 2.059 -1.224 1.00 33.22 O ATOM 836 CB CYS A 50 6.946 1.691 -4.314 1.00 14.53 C ATOM 837 SG CYS A 50 8.465 2.703 -4.175 1.00 13.34 S ATOM 0 H CYS A 50 6.129 3.796 -2.597 1.00 1.23 H new ATOM 0 HA CYS A 50 5.104 1.165 -3.472 1.00 24.54 H new ATOM 0 HB2 CYS A 50 7.240 0.644 -4.391 1.00 14.53 H new ATOM 0 HB3 CYS A 50 6.447 1.952 -5.248 1.00 14.53 H new ATOM 842 N LEU A 51 5.966 0.265 -1.354 1.00 61.25 N ATOM 843 CA LEU A 51 6.331 -0.218 -0.047 1.00 13.44 C ATOM 844 C LEU A 51 6.964 -1.596 -0.246 1.00 54.41 C ATOM 845 O LEU A 51 6.472 -2.402 -1.066 1.00 22.30 O ATOM 846 CB LEU A 51 5.035 -0.300 0.821 1.00 60.12 C ATOM 847 CG LEU A 51 5.161 -0.186 2.354 1.00 53.04 C ATOM 848 CD1 LEU A 51 3.786 -0.229 2.998 1.00 14.24 C ATOM 849 CD2 LEU A 51 6.052 -1.251 2.941 1.00 73.01 C ATOM 0 H LEU A 51 5.302 -0.327 -1.854 1.00 61.25 H new ATOM 0 HA LEU A 51 7.039 0.436 0.463 1.00 13.44 H new ATOM 0 HB2 LEU A 51 4.362 0.489 0.485 1.00 60.12 H new ATOM 0 HB3 LEU A 51 4.548 -1.250 0.599 1.00 60.12 H new ATOM 0 HG LEU A 51 5.631 0.774 2.568 1.00 53.04 H new ATOM 0 HD11 LEU A 51 3.888 -0.148 4.080 1.00 14.24 H new ATOM 0 HD12 LEU A 51 3.184 0.601 2.627 1.00 14.24 H new ATOM 0 HD13 LEU A 51 3.297 -1.171 2.750 1.00 14.24 H new ATOM 0 HD21 LEU A 51 6.106 -1.125 4.022 1.00 73.01 H new ATOM 0 HD22 LEU A 51 5.643 -2.235 2.710 1.00 73.01 H new ATOM 0 HD23 LEU A 51 7.052 -1.164 2.515 1.00 73.01 H new ATOM 861 N HIS A 52 8.051 -1.866 0.454 1.00 33.15 N ATOM 862 CA HIS A 52 8.746 -3.129 0.304 1.00 2.30 C ATOM 863 C HIS A 52 8.020 -4.226 1.128 1.00 64.03 C ATOM 864 O HIS A 52 7.948 -4.154 2.356 1.00 23.40 O ATOM 865 CB HIS A 52 10.224 -2.982 0.707 1.00 24.21 C ATOM 866 CG HIS A 52 11.078 -4.171 0.367 1.00 21.53 C ATOM 867 ND1 HIS A 52 11.659 -4.976 1.309 1.00 3.11 N ATOM 868 CD2 HIS A 52 11.464 -4.671 -0.835 1.00 32.25 C ATOM 869 CE1 HIS A 52 12.355 -5.921 0.712 1.00 34.33 C ATOM 870 NE2 HIS A 52 12.254 -5.759 -0.584 1.00 12.13 N ATOM 0 H HIS A 52 8.470 -1.228 1.131 1.00 33.15 H new ATOM 0 HA HIS A 52 8.731 -3.433 -0.743 1.00 2.30 H new ATOM 0 HB2 HIS A 52 10.637 -2.101 0.216 1.00 24.21 H new ATOM 0 HB3 HIS A 52 10.280 -2.804 1.781 1.00 24.21 H new ATOM 0 HD2 HIS A 52 11.197 -4.283 -1.807 1.00 32.25 H new ATOM 0 HE1 HIS A 52 12.916 -6.700 1.208 1.00 34.33 H new ATOM 0 HE2 HIS A 52 12.693 -6.348 -1.291 1.00 12.13 H new ATOM 879 N PRO A 53 7.502 -5.269 0.441 1.00 11.30 N ATOM 880 CA PRO A 53 6.631 -6.317 1.048 1.00 22.11 C ATOM 881 C PRO A 53 7.298 -7.216 2.103 1.00 74.20 C ATOM 882 O PRO A 53 6.620 -7.970 2.765 1.00 44.24 O ATOM 883 CB PRO A 53 6.201 -7.151 -0.154 1.00 42.10 C ATOM 884 CG PRO A 53 7.288 -6.945 -1.148 1.00 1.21 C ATOM 885 CD PRO A 53 7.700 -5.518 -1.001 1.00 65.11 C ATOM 0 HA PRO A 53 5.823 -5.846 1.608 1.00 22.11 H new ATOM 0 HB2 PRO A 53 6.096 -8.204 0.109 1.00 42.10 H new ATOM 0 HB3 PRO A 53 5.238 -6.822 -0.543 1.00 42.10 H new ATOM 0 HG2 PRO A 53 8.125 -7.616 -0.958 1.00 1.21 H new ATOM 0 HG3 PRO A 53 6.938 -7.150 -2.160 1.00 1.21 H new ATOM 0 HD2 PRO A 53 8.737 -5.363 -1.300 1.00 65.11 H new ATOM 0 HD3 PRO A 53 7.089 -4.855 -1.614 1.00 65.11 H new ATOM 893 N LYS A 54 8.612 -7.124 2.259 1.00 22.44 N ATOM 894 CA LYS A 54 9.325 -7.959 3.248 1.00 44.13 C ATOM 895 C LYS A 54 9.042 -7.579 4.698 1.00 34.24 C ATOM 896 O LYS A 54 9.352 -8.334 5.619 1.00 21.34 O ATOM 897 CB LYS A 54 10.837 -8.011 3.015 1.00 23.30 C ATOM 898 CG LYS A 54 11.274 -9.093 2.047 1.00 41.23 C ATOM 899 CD LYS A 54 10.740 -8.896 0.653 1.00 21.02 C ATOM 900 CE LYS A 54 10.992 -10.122 -0.189 1.00 42.53 C ATOM 901 NZ LYS A 54 12.419 -10.571 -0.158 1.00 41.51 N ATOM 0 H LYS A 54 9.210 -6.492 1.727 1.00 22.44 H new ATOM 0 HA LYS A 54 8.916 -8.956 3.083 1.00 44.13 H new ATOM 0 HB2 LYS A 54 11.170 -7.044 2.638 1.00 23.30 H new ATOM 0 HB3 LYS A 54 11.337 -8.169 3.971 1.00 23.30 H new ATOM 0 HG2 LYS A 54 12.363 -9.120 2.011 1.00 41.23 H new ATOM 0 HG3 LYS A 54 10.943 -10.062 2.422 1.00 41.23 H new ATOM 0 HD2 LYS A 54 9.671 -8.689 0.693 1.00 21.02 H new ATOM 0 HD3 LYS A 54 11.216 -8.029 0.194 1.00 21.02 H new ATOM 0 HE2 LYS A 54 10.354 -10.934 0.161 1.00 42.53 H new ATOM 0 HE3 LYS A 54 10.705 -9.913 -1.220 1.00 42.53 H new ATOM 0 HZ1 LYS A 54 12.556 -11.341 -0.844 1.00 41.51 H new ATOM 0 HZ2 LYS A 54 13.039 -9.773 -0.404 1.00 41.51 H new ATOM 0 HZ3 LYS A 54 12.655 -10.911 0.796 1.00 41.51 H new ATOM 915 N LEU A 55 8.458 -6.431 4.900 1.00 75.33 N ATOM 916 CA LEU A 55 8.238 -5.916 6.235 1.00 41.21 C ATOM 917 C LEU A 55 6.956 -6.507 6.835 1.00 11.13 C ATOM 918 O LEU A 55 5.921 -6.560 6.177 1.00 73.23 O ATOM 919 CB LEU A 55 8.169 -4.396 6.162 1.00 52.41 C ATOM 920 CG LEU A 55 9.392 -3.731 5.511 1.00 13.12 C ATOM 921 CD1 LEU A 55 9.183 -2.248 5.366 1.00 65.20 C ATOM 922 CD2 LEU A 55 10.648 -4.003 6.319 1.00 42.14 C ATOM 0 H LEU A 55 8.120 -5.824 4.153 1.00 75.33 H new ATOM 0 HA LEU A 55 9.061 -6.206 6.888 1.00 41.21 H new ATOM 0 HB2 LEU A 55 7.277 -4.112 5.603 1.00 52.41 H new ATOM 0 HB3 LEU A 55 8.052 -4.002 7.171 1.00 52.41 H new ATOM 0 HG LEU A 55 9.516 -4.163 4.518 1.00 13.12 H new ATOM 0 HD11 LEU A 55 10.062 -1.800 4.903 1.00 65.20 H new ATOM 0 HD12 LEU A 55 8.310 -2.063 4.741 1.00 65.20 H new ATOM 0 HD13 LEU A 55 9.026 -1.805 6.349 1.00 65.20 H new ATOM 0 HD21 LEU A 55 11.501 -3.523 5.839 1.00 42.14 H new ATOM 0 HD22 LEU A 55 10.526 -3.604 7.326 1.00 42.14 H new ATOM 0 HD23 LEU A 55 10.820 -5.078 6.373 1.00 42.14 H new ATOM 934 N GLN A 56 7.046 -6.960 8.082 1.00 61.13 N ATOM 935 CA GLN A 56 5.931 -7.629 8.779 1.00 34.12 C ATOM 936 C GLN A 56 4.759 -6.688 9.026 1.00 22.42 C ATOM 937 O GLN A 56 3.596 -7.120 9.015 1.00 62.51 O ATOM 938 CB GLN A 56 6.405 -8.246 10.104 1.00 3.30 C ATOM 939 CG GLN A 56 7.494 -9.300 9.956 1.00 0.14 C ATOM 940 CD GLN A 56 7.921 -9.888 11.285 1.00 1.23 C ATOM 941 OE1 GLN A 56 7.359 -10.878 11.746 1.00 3.43 O ATOM 942 NE2 GLN A 56 8.897 -9.293 11.913 1.00 62.54 N ATOM 0 H GLN A 56 7.892 -6.878 8.646 1.00 61.13 H new ATOM 0 HA GLN A 56 5.580 -8.425 8.123 1.00 34.12 H new ATOM 0 HB2 GLN A 56 6.774 -7.449 10.750 1.00 3.30 H new ATOM 0 HB3 GLN A 56 5.549 -8.695 10.608 1.00 3.30 H new ATOM 0 HG2 GLN A 56 7.135 -10.099 9.308 1.00 0.14 H new ATOM 0 HG3 GLN A 56 8.360 -8.856 9.465 1.00 0.14 H new ATOM 0 HE21 GLN A 56 9.343 -8.473 11.502 1.00 62.54 H new ATOM 0 HE22 GLN A 56 9.215 -9.648 12.815 1.00 62.54 H new ATOM 951 N SER A 57 5.053 -5.424 9.238 1.00 31.25 N ATOM 952 CA SER A 57 4.028 -4.426 9.463 1.00 43.11 C ATOM 953 C SER A 57 3.202 -4.204 8.187 1.00 32.11 C ATOM 954 O SER A 57 2.002 -3.885 8.244 1.00 31.05 O ATOM 955 CB SER A 57 4.683 -3.128 9.949 1.00 24.21 C ATOM 956 OG SER A 57 5.712 -2.716 9.051 1.00 50.32 O ATOM 0 H SER A 57 6.005 -5.059 9.259 1.00 31.25 H new ATOM 0 HA SER A 57 3.340 -4.774 10.234 1.00 43.11 H new ATOM 0 HB2 SER A 57 3.930 -2.344 10.032 1.00 24.21 H new ATOM 0 HB3 SER A 57 5.100 -3.276 10.945 1.00 24.21 H new ATOM 0 HG SER A 57 6.117 -1.885 9.377 1.00 50.32 H new ATOM 962 N THR A 58 3.844 -4.416 7.048 1.00 35.14 N ATOM 963 CA THR A 58 3.224 -4.260 5.762 1.00 60.33 C ATOM 964 C THR A 58 2.088 -5.270 5.590 1.00 43.14 C ATOM 965 O THR A 58 1.018 -4.917 5.120 1.00 72.52 O ATOM 966 CB THR A 58 4.278 -4.435 4.658 1.00 45.04 C ATOM 967 OG1 THR A 58 5.364 -3.534 4.934 1.00 40.32 O ATOM 968 CG2 THR A 58 3.702 -4.115 3.280 1.00 45.52 C ATOM 0 H THR A 58 4.821 -4.704 7.002 1.00 35.14 H new ATOM 0 HA THR A 58 2.799 -3.259 5.689 1.00 60.33 H new ATOM 0 HB THR A 58 4.614 -5.472 4.649 1.00 45.04 H new ATOM 0 HG1 THR A 58 5.007 -2.679 5.252 1.00 40.32 H new ATOM 0 HG21 THR A 58 4.474 -4.249 2.523 1.00 45.52 H new ATOM 0 HG22 THR A 58 2.868 -4.784 3.070 1.00 45.52 H new ATOM 0 HG23 THR A 58 3.352 -3.083 3.263 1.00 45.52 H new ATOM 976 N LYS A 59 2.320 -6.517 6.016 1.00 64.34 N ATOM 977 CA LYS A 59 1.300 -7.561 5.930 1.00 15.24 C ATOM 978 C LYS A 59 0.017 -7.169 6.604 1.00 1.23 C ATOM 979 O LYS A 59 -1.053 -7.342 6.024 1.00 14.11 O ATOM 980 CB LYS A 59 1.783 -8.919 6.440 1.00 25.22 C ATOM 981 CG LYS A 59 2.717 -9.664 5.505 1.00 44.24 C ATOM 982 CD LYS A 59 4.061 -8.992 5.336 1.00 23.54 C ATOM 983 CE LYS A 59 4.972 -9.804 4.434 1.00 62.54 C ATOM 984 NZ LYS A 59 4.419 -9.972 3.076 1.00 21.55 N ATOM 0 H LYS A 59 3.204 -6.824 6.422 1.00 64.34 H new ATOM 0 HA LYS A 59 1.099 -7.671 4.864 1.00 15.24 H new ATOM 0 HB2 LYS A 59 2.290 -8.772 7.393 1.00 25.22 H new ATOM 0 HB3 LYS A 59 0.913 -9.546 6.635 1.00 25.22 H new ATOM 0 HG2 LYS A 59 2.870 -10.674 5.885 1.00 44.24 H new ATOM 0 HG3 LYS A 59 2.242 -9.759 4.529 1.00 44.24 H new ATOM 0 HD2 LYS A 59 3.922 -7.996 4.915 1.00 23.54 H new ATOM 0 HD3 LYS A 59 4.531 -8.863 6.311 1.00 23.54 H new ATOM 0 HE2 LYS A 59 5.944 -9.315 4.369 1.00 62.54 H new ATOM 0 HE3 LYS A 59 5.138 -10.785 4.879 1.00 62.54 H new ATOM 0 HZ1 LYS A 59 5.147 -9.733 2.373 1.00 21.55 H new ATOM 0 HZ2 LYS A 59 4.120 -10.959 2.943 1.00 21.55 H new ATOM 0 HZ3 LYS A 59 3.600 -9.343 2.954 1.00 21.55 H new ATOM 998 N ARG A 60 0.101 -6.609 7.810 1.00 45.13 N ATOM 999 CA ARG A 60 -1.093 -6.162 8.467 1.00 24.42 C ATOM 1000 C ARG A 60 -1.733 -5.096 7.674 1.00 33.10 C ATOM 1001 O ARG A 60 -2.868 -5.213 7.357 1.00 32.34 O ATOM 1002 CB ARG A 60 -0.871 -5.644 9.882 1.00 55.55 C ATOM 1003 CG ARG A 60 -0.656 -6.676 10.956 1.00 2.43 C ATOM 1004 CD ARG A 60 0.658 -7.411 10.785 1.00 30.54 C ATOM 1005 NE ARG A 60 0.899 -8.366 11.857 1.00 4.21 N ATOM 1006 CZ ARG A 60 2.017 -9.073 12.009 1.00 3.45 C ATOM 1007 NH1 ARG A 60 3.037 -8.908 11.172 1.00 54.31 N ATOM 1008 NH2 ARG A 60 2.126 -9.929 13.013 1.00 2.11 N ATOM 0 H ARG A 60 0.967 -6.463 8.329 1.00 45.13 H new ATOM 0 HA ARG A 60 -1.731 -7.042 8.545 1.00 24.42 H new ATOM 0 HB2 ARG A 60 -0.006 -4.981 9.869 1.00 55.55 H new ATOM 0 HB3 ARG A 60 -1.733 -5.038 10.161 1.00 55.55 H new ATOM 0 HG2 ARG A 60 -0.676 -6.192 11.932 1.00 2.43 H new ATOM 0 HG3 ARG A 60 -1.477 -7.393 10.939 1.00 2.43 H new ATOM 0 HD2 ARG A 60 0.658 -7.934 9.829 1.00 30.54 H new ATOM 0 HD3 ARG A 60 1.474 -6.689 10.754 1.00 30.54 H new ATOM 0 HE ARG A 60 0.156 -8.504 12.542 1.00 4.21 H new ATOM 0 HH11 ARG A 60 2.966 -8.236 10.408 1.00 54.31 H new ATOM 0 HH12 ARG A 60 3.890 -9.453 11.294 1.00 54.31 H new ATOM 0 HH21 ARG A 60 1.354 -10.046 13.669 1.00 2.11 H new ATOM 0 HH22 ARG A 60 2.982 -10.471 13.130 1.00 2.11 H new ATOM 1022 N PHE A 61 -0.962 -4.082 7.315 1.00 42.15 N ATOM 1023 CA PHE A 61 -1.478 -2.920 6.609 1.00 50.11 C ATOM 1024 C PHE A 61 -2.229 -3.337 5.344 1.00 75.13 C ATOM 1025 O PHE A 61 -3.299 -2.814 5.057 1.00 0.35 O ATOM 1026 CB PHE A 61 -0.337 -1.986 6.224 1.00 12.20 C ATOM 1027 CG PHE A 61 -0.787 -0.600 5.790 1.00 44.13 C ATOM 1028 CD1 PHE A 61 -1.235 -0.351 4.500 1.00 32.53 C ATOM 1029 CD2 PHE A 61 -0.769 0.454 6.695 1.00 4.34 C ATOM 1030 CE1 PHE A 61 -1.652 0.913 4.128 1.00 43.50 C ATOM 1031 CE2 PHE A 61 -1.186 1.719 6.324 1.00 12.14 C ATOM 1032 CZ PHE A 61 -1.626 1.945 5.042 1.00 2.02 C ATOM 0 H PHE A 61 0.039 -4.041 7.505 1.00 42.15 H new ATOM 0 HA PHE A 61 -2.167 -2.404 7.278 1.00 50.11 H new ATOM 0 HB2 PHE A 61 0.339 -1.887 7.073 1.00 12.20 H new ATOM 0 HB3 PHE A 61 0.233 -2.441 5.414 1.00 12.20 H new ATOM 0 HD1 PHE A 61 -1.258 -1.154 3.779 1.00 32.53 H new ATOM 0 HD2 PHE A 61 -0.424 0.283 7.704 1.00 4.34 H new ATOM 0 HE1 PHE A 61 -1.998 1.092 3.121 1.00 43.50 H new ATOM 0 HE2 PHE A 61 -1.166 2.527 7.040 1.00 12.14 H new ATOM 0 HZ PHE A 61 -1.952 2.932 4.750 1.00 2.02 H new ATOM 1042 N ILE A 62 -1.668 -4.283 4.606 1.00 14.55 N ATOM 1043 CA ILE A 62 -2.281 -4.740 3.377 1.00 64.03 C ATOM 1044 C ILE A 62 -3.579 -5.448 3.667 1.00 24.42 C ATOM 1045 O ILE A 62 -4.628 -5.083 3.126 1.00 44.43 O ATOM 1046 CB ILE A 62 -1.358 -5.669 2.555 1.00 52.41 C ATOM 1047 CG1 ILE A 62 -0.017 -4.990 2.297 1.00 25.41 C ATOM 1048 CG2 ILE A 62 -2.026 -6.045 1.244 1.00 24.20 C ATOM 1049 CD1 ILE A 62 -0.134 -3.629 1.672 1.00 54.01 C ATOM 0 H ILE A 62 -0.790 -4.746 4.840 1.00 14.55 H new ATOM 0 HA ILE A 62 -2.468 -3.850 2.776 1.00 64.03 H new ATOM 0 HB ILE A 62 -1.178 -6.580 3.126 1.00 52.41 H new ATOM 0 HG12 ILE A 62 0.521 -4.901 3.241 1.00 25.41 H new ATOM 0 HG13 ILE A 62 0.583 -5.627 1.647 1.00 25.41 H new ATOM 0 HG21 ILE A 62 -1.366 -6.699 0.674 1.00 24.20 H new ATOM 0 HG22 ILE A 62 -2.963 -6.563 1.449 1.00 24.20 H new ATOM 0 HG23 ILE A 62 -2.229 -5.143 0.667 1.00 24.20 H new ATOM 0 HD11 ILE A 62 0.861 -3.212 1.520 1.00 54.01 H new ATOM 0 HD12 ILE A 62 -0.643 -3.712 0.712 1.00 54.01 H new ATOM 0 HD13 ILE A 62 -0.705 -2.974 2.330 1.00 54.01 H new ATOM 1061 N LYS A 63 -3.529 -6.433 4.539 1.00 41.43 N ATOM 1062 CA LYS A 63 -4.757 -7.164 4.893 1.00 20.31 C ATOM 1063 C LYS A 63 -5.780 -6.273 5.586 1.00 3.20 C ATOM 1064 O LYS A 63 -6.994 -6.457 5.442 1.00 14.22 O ATOM 1065 CB LYS A 63 -4.500 -8.471 5.683 1.00 55.24 C ATOM 1066 CG LYS A 63 -4.264 -9.712 4.794 1.00 64.44 C ATOM 1067 CD LYS A 63 -2.959 -9.689 4.001 1.00 23.51 C ATOM 1068 CE LYS A 63 -1.757 -9.968 4.886 1.00 43.53 C ATOM 1069 NZ LYS A 63 -1.842 -11.300 5.528 1.00 74.43 N ATOM 0 H LYS A 63 -2.683 -6.750 5.012 1.00 41.43 H new ATOM 0 HA LYS A 63 -5.188 -7.476 3.942 1.00 20.31 H new ATOM 0 HB2 LYS A 63 -3.632 -8.329 6.327 1.00 55.24 H new ATOM 0 HB3 LYS A 63 -5.352 -8.662 6.335 1.00 55.24 H new ATOM 0 HG2 LYS A 63 -4.275 -10.601 5.424 1.00 64.44 H new ATOM 0 HG3 LYS A 63 -5.096 -9.806 4.096 1.00 64.44 H new ATOM 0 HD2 LYS A 63 -3.004 -10.432 3.205 1.00 23.51 H new ATOM 0 HD3 LYS A 63 -2.841 -8.716 3.523 1.00 23.51 H new ATOM 0 HE2 LYS A 63 -0.846 -9.909 4.290 1.00 43.53 H new ATOM 0 HE3 LYS A 63 -1.685 -9.198 5.654 1.00 43.53 H new ATOM 0 HZ1 LYS A 63 -0.894 -11.598 5.836 1.00 74.43 H new ATOM 0 HZ2 LYS A 63 -2.474 -11.248 6.353 1.00 74.43 H new ATOM 0 HZ3 LYS A 63 -2.218 -11.990 4.847 1.00 74.43 H new ATOM 1083 N TRP A 64 -5.280 -5.306 6.292 1.00 34.15 N ATOM 1084 CA TRP A 64 -6.074 -4.375 7.037 1.00 44.43 C ATOM 1085 C TRP A 64 -6.788 -3.447 6.056 1.00 63.40 C ATOM 1086 O TRP A 64 -7.993 -3.240 6.159 1.00 61.53 O ATOM 1087 CB TRP A 64 -5.148 -3.559 7.924 1.00 62.35 C ATOM 1088 CG TRP A 64 -5.715 -3.098 9.215 1.00 32.34 C ATOM 1089 CD1 TRP A 64 -5.360 -3.559 10.448 1.00 23.54 C ATOM 1090 CD2 TRP A 64 -6.716 -2.096 9.430 1.00 34.10 C ATOM 1091 NE1 TRP A 64 -6.071 -2.899 11.414 1.00 11.02 N ATOM 1092 CE2 TRP A 64 -6.911 -2.001 10.814 1.00 40.12 C ATOM 1093 CE3 TRP A 64 -7.464 -1.270 8.587 1.00 40.40 C ATOM 1094 CZ2 TRP A 64 -7.816 -1.118 11.372 1.00 61.30 C ATOM 1095 CZ3 TRP A 64 -8.360 -0.395 9.145 1.00 70.32 C ATOM 1096 CH2 TRP A 64 -8.531 -0.324 10.526 1.00 20.41 C ATOM 0 H TRP A 64 -4.277 -5.137 6.369 1.00 34.15 H new ATOM 0 HA TRP A 64 -6.810 -4.898 7.649 1.00 44.43 H new ATOM 0 HB2 TRP A 64 -4.260 -4.156 8.133 1.00 62.35 H new ATOM 0 HB3 TRP A 64 -4.819 -2.685 7.363 1.00 62.35 H new ATOM 0 HD1 TRP A 64 -4.627 -4.330 10.635 1.00 23.54 H new ATOM 0 HE1 TRP A 64 -5.988 -3.052 12.419 1.00 11.02 H new ATOM 0 HE3 TRP A 64 -7.339 -1.320 7.515 1.00 40.40 H new ATOM 0 HZ2 TRP A 64 -7.952 -1.059 12.442 1.00 61.30 H new ATOM 0 HZ3 TRP A 64 -8.943 0.250 8.504 1.00 70.32 H new ATOM 0 HH2 TRP A 64 -9.245 0.375 10.935 1.00 20.41 H new ATOM 1107 N TYR A 65 -6.032 -2.895 5.074 1.00 71.52 N ATOM 1108 CA TYR A 65 -6.621 -1.990 4.091 1.00 51.22 C ATOM 1109 C TYR A 65 -7.676 -2.682 3.266 1.00 43.02 C ATOM 1110 O TYR A 65 -8.709 -2.092 2.957 1.00 41.15 O ATOM 1111 CB TYR A 65 -5.588 -1.317 3.171 1.00 11.50 C ATOM 1112 CG TYR A 65 -6.263 -0.405 2.157 1.00 74.41 C ATOM 1113 CD1 TYR A 65 -6.867 0.776 2.560 1.00 31.25 C ATOM 1114 CD2 TYR A 65 -6.344 -0.752 0.815 1.00 3.34 C ATOM 1115 CE1 TYR A 65 -7.522 1.587 1.658 1.00 41.25 C ATOM 1116 CE2 TYR A 65 -7.007 0.054 -0.092 1.00 24.12 C ATOM 1117 CZ TYR A 65 -7.593 1.219 0.337 1.00 32.34 C ATOM 1118 OH TYR A 65 -8.259 2.018 -0.557 1.00 62.20 O ATOM 0 H TYR A 65 -5.033 -3.064 4.953 1.00 71.52 H new ATOM 0 HA TYR A 65 -7.085 -1.196 4.676 1.00 51.22 H new ATOM 0 HB2 TYR A 65 -4.885 -0.740 3.771 1.00 11.50 H new ATOM 0 HB3 TYR A 65 -5.010 -2.080 2.649 1.00 11.50 H new ATOM 0 HD1 TYR A 65 -6.824 1.066 3.599 1.00 31.25 H new ATOM 0 HD2 TYR A 65 -5.882 -1.666 0.474 1.00 3.34 H new ATOM 0 HE1 TYR A 65 -7.978 2.508 1.989 1.00 41.25 H new ATOM 0 HE2 TYR A 65 -7.064 -0.231 -1.132 1.00 24.12 H new ATOM 0 HH TYR A 65 -8.051 2.958 -0.374 1.00 62.20 H new ATOM 1128 N ASN A 66 -7.426 -3.926 2.903 1.00 51.21 N ATOM 1129 CA ASN A 66 -8.418 -4.690 2.162 1.00 35.04 C ATOM 1130 C ASN A 66 -9.708 -4.802 2.948 1.00 10.50 C ATOM 1131 O ASN A 66 -10.782 -4.549 2.416 1.00 61.00 O ATOM 1132 CB ASN A 66 -7.911 -6.068 1.732 1.00 24.21 C ATOM 1133 CG ASN A 66 -6.957 -6.036 0.540 1.00 43.10 C ATOM 1134 OD1 ASN A 66 -7.388 -6.110 -0.607 1.00 23.23 O ATOM 1135 ND2 ASN A 66 -5.678 -5.933 0.789 1.00 62.12 N ATOM 0 H ASN A 66 -6.559 -4.425 3.104 1.00 51.21 H new ATOM 0 HA ASN A 66 -8.617 -4.137 1.244 1.00 35.04 H new ATOM 0 HB2 ASN A 66 -7.405 -6.537 2.576 1.00 24.21 H new ATOM 0 HB3 ASN A 66 -8.766 -6.697 1.483 1.00 24.21 H new ATOM 0 HD21 ASN A 66 -5.009 -5.912 0.020 1.00 62.12 H new ATOM 0 HD22 ASN A 66 -5.349 -5.873 1.753 1.00 62.12 H new ATOM 1142 N ALA A 67 -9.590 -5.123 4.231 1.00 10.20 N ATOM 1143 CA ALA A 67 -10.743 -5.224 5.115 1.00 44.10 C ATOM 1144 C ALA A 67 -11.448 -3.867 5.250 1.00 74.31 C ATOM 1145 O ALA A 67 -12.679 -3.793 5.251 1.00 21.44 O ATOM 1146 CB ALA A 67 -10.314 -5.749 6.473 1.00 1.14 C ATOM 0 H ALA A 67 -8.698 -5.319 4.685 1.00 10.20 H new ATOM 0 HA ALA A 67 -11.454 -5.926 4.681 1.00 44.10 H new ATOM 0 HB1 ALA A 67 -11.183 -5.821 7.127 1.00 1.14 H new ATOM 0 HB2 ALA A 67 -9.865 -6.735 6.357 1.00 1.14 H new ATOM 0 HB3 ALA A 67 -9.585 -5.068 6.913 1.00 1.14 H new ATOM 1152 N TRP A 68 -10.655 -2.811 5.369 1.00 60.43 N ATOM 1153 CA TRP A 68 -11.125 -1.414 5.403 1.00 3.13 C ATOM 1154 C TRP A 68 -11.912 -1.073 4.142 1.00 70.12 C ATOM 1155 O TRP A 68 -13.008 -0.515 4.209 1.00 54.40 O ATOM 1156 CB TRP A 68 -9.896 -0.480 5.566 1.00 11.01 C ATOM 1157 CG TRP A 68 -10.090 0.981 5.202 1.00 70.52 C ATOM 1158 CD1 TRP A 68 -9.973 1.512 3.950 1.00 65.43 C ATOM 1159 CD2 TRP A 68 -10.380 2.090 6.069 1.00 43.42 C ATOM 1160 NE1 TRP A 68 -10.182 2.852 3.974 1.00 10.54 N ATOM 1161 CE2 TRP A 68 -10.432 3.244 5.251 1.00 23.14 C ATOM 1162 CE3 TRP A 68 -10.605 2.234 7.440 1.00 42.13 C ATOM 1163 CZ2 TRP A 68 -10.693 4.506 5.754 1.00 40.04 C ATOM 1164 CZ3 TRP A 68 -10.865 3.499 7.937 1.00 5.12 C ATOM 1165 CH2 TRP A 68 -10.907 4.619 7.088 1.00 51.12 C ATOM 0 H TRP A 68 -9.641 -2.893 5.447 1.00 60.43 H new ATOM 0 HA TRP A 68 -11.799 -1.275 6.248 1.00 3.13 H new ATOM 0 HB2 TRP A 68 -9.567 -0.530 6.604 1.00 11.01 H new ATOM 0 HB3 TRP A 68 -9.085 -0.877 4.955 1.00 11.01 H new ATOM 0 HD1 TRP A 68 -9.745 0.943 3.061 1.00 65.43 H new ATOM 0 HE1 TRP A 68 -10.156 3.468 3.162 1.00 10.54 H new ATOM 0 HE3 TRP A 68 -10.577 1.377 8.097 1.00 42.13 H new ATOM 0 HZ2 TRP A 68 -10.725 5.370 5.107 1.00 40.04 H new ATOM 0 HZ3 TRP A 68 -11.039 3.628 8.995 1.00 5.12 H new ATOM 0 HH2 TRP A 68 -11.115 5.592 7.508 1.00 51.12 H new ATOM 1176 N ASN A 69 -11.352 -1.418 3.004 1.00 24.34 N ATOM 1177 CA ASN A 69 -11.982 -1.150 1.725 1.00 41.40 C ATOM 1178 C ASN A 69 -13.289 -1.924 1.615 1.00 0.31 C ATOM 1179 O ASN A 69 -14.275 -1.418 1.082 1.00 20.23 O ATOM 1180 CB ASN A 69 -11.029 -1.477 0.567 1.00 50.45 C ATOM 1181 CG ASN A 69 -11.616 -1.170 -0.801 1.00 43.15 C ATOM 1182 OD1 ASN A 69 -12.230 -2.025 -1.433 1.00 61.01 O ATOM 1183 ND2 ASN A 69 -11.434 0.044 -1.261 1.00 72.11 N ATOM 0 H ASN A 69 -10.451 -1.891 2.936 1.00 24.34 H new ATOM 0 HA ASN A 69 -12.213 -0.087 1.660 1.00 41.40 H new ATOM 0 HB2 ASN A 69 -10.106 -0.911 0.694 1.00 50.45 H new ATOM 0 HB3 ASN A 69 -10.763 -2.533 0.612 1.00 50.45 H new ATOM 0 HD21 ASN A 69 -11.808 0.305 -2.173 1.00 72.11 H new ATOM 0 HD22 ASN A 69 -10.918 0.727 -0.707 1.00 72.11 H new ATOM 1190 N GLU A 70 -13.295 -3.144 2.160 1.00 43.33 N ATOM 1191 CA GLU A 70 -14.502 -3.956 2.220 1.00 72.33 C ATOM 1192 C GLU A 70 -15.559 -3.281 3.085 1.00 32.00 C ATOM 1193 O GLU A 70 -16.724 -3.261 2.724 1.00 23.23 O ATOM 1194 CB GLU A 70 -14.207 -5.363 2.751 1.00 43.00 C ATOM 1195 CG GLU A 70 -13.324 -6.200 1.851 1.00 42.51 C ATOM 1196 CD GLU A 70 -13.004 -7.551 2.446 1.00 64.31 C ATOM 1197 OE1 GLU A 70 -13.864 -8.460 2.384 1.00 12.22 O ATOM 1198 OE2 GLU A 70 -11.878 -7.741 2.958 1.00 14.42 O ATOM 0 H GLU A 70 -12.471 -3.588 2.566 1.00 43.33 H new ATOM 0 HA GLU A 70 -14.884 -4.052 1.204 1.00 72.33 H new ATOM 0 HB2 GLU A 70 -13.731 -5.277 3.728 1.00 43.00 H new ATOM 0 HB3 GLU A 70 -15.151 -5.886 2.902 1.00 43.00 H new ATOM 0 HG2 GLU A 70 -13.818 -6.338 0.890 1.00 42.51 H new ATOM 0 HG3 GLU A 70 -12.395 -5.663 1.658 1.00 42.51 H new ATOM 1205 N LYS A 71 -15.127 -2.696 4.211 1.00 22.13 N ATOM 1206 CA LYS A 71 -16.022 -1.988 5.150 1.00 15.43 C ATOM 1207 C LYS A 71 -16.752 -0.848 4.467 1.00 12.21 C ATOM 1208 O LYS A 71 -17.886 -0.529 4.812 1.00 15.32 O ATOM 1209 CB LYS A 71 -15.217 -1.418 6.332 1.00 73.53 C ATOM 1210 CG LYS A 71 -14.598 -2.456 7.256 1.00 73.54 C ATOM 1211 CD LYS A 71 -15.631 -3.149 8.143 1.00 73.40 C ATOM 1212 CE LYS A 71 -16.209 -2.182 9.179 1.00 52.31 C ATOM 1213 NZ LYS A 71 -17.153 -2.848 10.096 1.00 31.31 N ATOM 0 H LYS A 71 -14.149 -2.698 4.500 1.00 22.13 H new ATOM 0 HA LYS A 71 -16.752 -2.714 5.509 1.00 15.43 H new ATOM 0 HB2 LYS A 71 -14.421 -0.786 5.938 1.00 73.53 H new ATOM 0 HB3 LYS A 71 -15.872 -0.776 6.921 1.00 73.53 H new ATOM 0 HG2 LYS A 71 -14.079 -3.205 6.658 1.00 73.54 H new ATOM 0 HG3 LYS A 71 -13.849 -1.975 7.885 1.00 73.54 H new ATOM 0 HD2 LYS A 71 -16.436 -3.548 7.525 1.00 73.40 H new ATOM 0 HD3 LYS A 71 -15.169 -3.996 8.650 1.00 73.40 H new ATOM 0 HE2 LYS A 71 -15.396 -1.740 9.755 1.00 52.31 H new ATOM 0 HE3 LYS A 71 -16.717 -1.365 8.667 1.00 52.31 H new ATOM 0 HZ1 LYS A 71 -17.155 -2.354 11.011 1.00 31.31 H new ATOM 0 HZ2 LYS A 71 -18.109 -2.825 9.687 1.00 31.31 H new ATOM 0 HZ3 LYS A 71 -16.861 -3.836 10.237 1.00 31.31 H new ATOM 1227 N ARG A 72 -16.107 -0.235 3.501 1.00 13.12 N ATOM 1228 CA ARG A 72 -16.695 0.895 2.803 1.00 44.52 C ATOM 1229 C ARG A 72 -17.425 0.432 1.546 1.00 61.30 C ATOM 1230 O ARG A 72 -18.088 1.209 0.874 1.00 13.45 O ATOM 1231 CB ARG A 72 -15.622 1.909 2.440 1.00 62.22 C ATOM 1232 CG ARG A 72 -14.787 2.372 3.620 1.00 22.20 C ATOM 1233 CD ARG A 72 -13.817 3.451 3.204 1.00 23.13 C ATOM 1234 NE ARG A 72 -14.521 4.672 2.791 1.00 5.34 N ATOM 1235 CZ ARG A 72 -14.007 5.632 2.018 1.00 24.43 C ATOM 1236 NH1 ARG A 72 -12.819 5.469 1.443 1.00 73.53 N ATOM 1237 NH2 ARG A 72 -14.702 6.742 1.791 1.00 42.05 N ATOM 0 H ARG A 72 -15.176 -0.496 3.178 1.00 13.12 H new ATOM 0 HA ARG A 72 -17.417 1.369 3.468 1.00 44.52 H new ATOM 0 HB2 ARG A 72 -14.962 1.472 1.690 1.00 62.22 H new ATOM 0 HB3 ARG A 72 -16.096 2.776 1.981 1.00 62.22 H new ATOM 0 HG2 ARG A 72 -15.440 2.749 4.407 1.00 22.20 H new ATOM 0 HG3 ARG A 72 -14.240 1.527 4.037 1.00 22.20 H new ATOM 0 HD2 ARG A 72 -13.146 3.678 4.032 1.00 23.13 H new ATOM 0 HD3 ARG A 72 -13.199 3.090 2.382 1.00 23.13 H new ATOM 0 HE ARG A 72 -15.478 4.797 3.121 1.00 5.34 H new ATOM 0 HH11 ARG A 72 -12.295 4.607 1.591 1.00 73.53 H new ATOM 0 HH12 ARG A 72 -12.432 6.206 0.854 1.00 73.53 H new ATOM 0 HH21 ARG A 72 -15.626 6.859 2.207 1.00 42.05 H new ATOM 0 HH22 ARG A 72 -14.311 7.477 1.201 1.00 42.05 H new ATOM 1251 N ARG A 73 -17.294 -0.828 1.244 1.00 4.10 N ATOM 1252 CA ARG A 73 -17.914 -1.404 0.076 1.00 64.14 C ATOM 1253 C ARG A 73 -19.233 -2.039 0.477 1.00 74.52 C ATOM 1254 O ARG A 73 -20.300 -1.722 -0.061 1.00 5.31 O ATOM 1255 CB ARG A 73 -17.005 -2.487 -0.490 1.00 33.24 C ATOM 1256 CG ARG A 73 -17.479 -3.093 -1.795 1.00 24.11 C ATOM 1257 CD ARG A 73 -16.630 -4.290 -2.169 1.00 4.32 C ATOM 1258 NE ARG A 73 -15.199 -3.975 -2.194 1.00 15.52 N ATOM 1259 CZ ARG A 73 -14.222 -4.888 -2.282 1.00 24.30 C ATOM 1260 NH1 ARG A 73 -14.519 -6.178 -2.429 1.00 51.04 N ATOM 1261 NH2 ARG A 73 -12.962 -4.506 -2.230 1.00 71.43 N ATOM 0 H ARG A 73 -16.753 -1.490 1.800 1.00 4.10 H new ATOM 0 HA ARG A 73 -18.082 -0.628 -0.671 1.00 64.14 H new ATOM 0 HB2 ARG A 73 -16.011 -2.066 -0.641 1.00 33.24 H new ATOM 0 HB3 ARG A 73 -16.906 -3.282 0.249 1.00 33.24 H new ATOM 0 HG2 ARG A 73 -18.522 -3.395 -1.704 1.00 24.11 H new ATOM 0 HG3 ARG A 73 -17.432 -2.346 -2.587 1.00 24.11 H new ATOM 0 HD2 ARG A 73 -16.809 -5.096 -1.457 1.00 4.32 H new ATOM 0 HD3 ARG A 73 -16.936 -4.657 -3.149 1.00 4.32 H new ATOM 0 HE ARG A 73 -14.928 -2.993 -2.141 1.00 15.52 H new ATOM 0 HH11 ARG A 73 -15.494 -6.475 -2.475 1.00 51.04 H new ATOM 0 HH12 ARG A 73 -13.772 -6.869 -2.496 1.00 51.04 H new ATOM 0 HH21 ARG A 73 -12.733 -3.518 -2.123 1.00 71.43 H new ATOM 0 HH22 ARG A 73 -12.216 -5.198 -2.297 1.00 71.43 H new ATOM 1275 N VAL A 74 -19.160 -2.901 1.446 1.00 52.31 N ATOM 1276 CA VAL A 74 -20.278 -3.672 1.883 1.00 50.02 C ATOM 1277 C VAL A 74 -20.209 -3.839 3.406 1.00 40.23 C ATOM 1278 O VAL A 74 -19.134 -3.683 4.003 1.00 74.31 O ATOM 1279 CB VAL A 74 -20.266 -5.061 1.154 1.00 70.14 C ATOM 1280 CG1 VAL A 74 -18.995 -5.838 1.454 1.00 4.45 C ATOM 1281 CG2 VAL A 74 -21.498 -5.891 1.472 1.00 53.32 C ATOM 0 H VAL A 74 -18.302 -3.090 1.964 1.00 52.31 H new ATOM 0 HA VAL A 74 -21.211 -3.166 1.635 1.00 50.02 H new ATOM 0 HB VAL A 74 -20.288 -4.850 0.085 1.00 70.14 H new ATOM 0 HG11 VAL A 74 -19.022 -6.795 0.932 1.00 4.45 H new ATOM 0 HG12 VAL A 74 -18.131 -5.265 1.118 1.00 4.45 H new ATOM 0 HG13 VAL A 74 -18.920 -6.012 2.527 1.00 4.45 H new ATOM 0 HG21 VAL A 74 -21.442 -6.843 0.943 1.00 53.32 H new ATOM 0 HG22 VAL A 74 -21.546 -6.074 2.545 1.00 53.32 H new ATOM 0 HG23 VAL A 74 -22.391 -5.352 1.156 1.00 53.32 H new ATOM 1291 N TYR A 75 -21.347 -4.110 4.021 1.00 45.21 N ATOM 1292 CA TYR A 75 -21.434 -4.338 5.450 1.00 10.13 C ATOM 1293 C TYR A 75 -20.465 -5.427 5.916 1.00 32.40 C ATOM 1294 O TYR A 75 -20.132 -6.360 5.150 1.00 4.23 O ATOM 1295 CB TYR A 75 -22.867 -4.686 5.857 1.00 42.51 C ATOM 1296 CG TYR A 75 -23.424 -5.866 5.132 1.00 13.13 C ATOM 1297 CD1 TYR A 75 -24.058 -5.698 3.935 1.00 42.41 C ATOM 1298 CD2 TYR A 75 -23.311 -7.133 5.647 1.00 24.01 C ATOM 1299 CE1 TYR A 75 -24.576 -6.771 3.236 1.00 62.30 C ATOM 1300 CE2 TYR A 75 -23.820 -8.227 4.974 1.00 32.15 C ATOM 1301 CZ TYR A 75 -24.455 -8.039 3.761 1.00 4.34 C ATOM 1302 OH TYR A 75 -24.964 -9.127 3.071 1.00 74.22 O ATOM 0 H TYR A 75 -22.243 -4.178 3.538 1.00 45.21 H new ATOM 0 HA TYR A 75 -21.145 -3.410 5.943 1.00 10.13 H new ATOM 0 HB2 TYR A 75 -22.894 -4.883 6.929 1.00 42.51 H new ATOM 0 HB3 TYR A 75 -23.507 -3.823 5.675 1.00 42.51 H new ATOM 0 HD1 TYR A 75 -24.157 -4.704 3.525 1.00 42.41 H new ATOM 0 HD2 TYR A 75 -22.815 -7.278 6.596 1.00 24.01 H new ATOM 0 HE1 TYR A 75 -25.070 -6.618 2.288 1.00 62.30 H new ATOM 0 HE2 TYR A 75 -23.723 -9.218 5.391 1.00 32.15 H new ATOM 0 HH TYR A 75 -24.793 -9.947 3.580 1.00 74.22 H new ATOM 1312 N GLU A 76 -19.999 -5.302 7.136 1.00 11.45 N ATOM 1313 CA GLU A 76 -19.098 -6.276 7.693 1.00 64.32 C ATOM 1314 C GLU A 76 -19.840 -7.574 7.924 1.00 74.13 C ATOM 1315 O GLU A 76 -20.917 -7.591 8.549 1.00 73.05 O ATOM 1316 CB GLU A 76 -18.509 -5.782 8.997 1.00 61.11 C ATOM 1317 CG GLU A 76 -17.461 -6.699 9.585 1.00 32.12 C ATOM 1318 CD GLU A 76 -16.949 -6.207 10.900 1.00 54.21 C ATOM 1319 OE1 GLU A 76 -16.153 -5.247 10.921 1.00 3.13 O ATOM 1320 OE2 GLU A 76 -17.344 -6.766 11.945 1.00 24.20 O ATOM 0 H GLU A 76 -20.232 -4.531 7.762 1.00 11.45 H new ATOM 0 HA GLU A 76 -18.282 -6.439 6.989 1.00 64.32 H new ATOM 0 HB2 GLU A 76 -18.067 -4.799 8.835 1.00 61.11 H new ATOM 0 HB3 GLU A 76 -19.313 -5.654 9.722 1.00 61.11 H new ATOM 0 HG2 GLU A 76 -17.884 -7.696 9.712 1.00 32.12 H new ATOM 0 HG3 GLU A 76 -16.630 -6.792 8.886 1.00 32.12 H new ATOM 1327 N GLU A 77 -19.282 -8.634 7.433 1.00 72.20 N ATOM 1328 CA GLU A 77 -19.882 -9.925 7.533 1.00 35.02 C ATOM 1329 C GLU A 77 -18.729 -10.919 7.684 1.00 22.05 C ATOM 1330 O GLU A 77 -18.373 -11.259 8.821 1.00 36.60 O ATOM 1331 CB GLU A 77 -20.694 -10.200 6.240 1.00 65.54 C ATOM 1332 CG GLU A 77 -21.819 -11.246 6.350 1.00 3.52 C ATOM 1333 CD GLU A 77 -21.376 -12.610 6.801 1.00 14.43 C ATOM 1334 OE1 GLU A 77 -20.893 -13.395 5.964 1.00 63.55 O ATOM 1335 OE2 GLU A 77 -21.540 -12.926 7.995 1.00 35.23 O ATOM 1336 OXT GLU A 77 -18.114 -11.295 6.659 1.00 36.60 O ATOM 0 H GLU A 77 -18.386 -8.627 6.946 1.00 72.20 H new ATOM 0 HA GLU A 77 -20.565 -10.006 8.378 1.00 35.02 H new ATOM 0 HB2 GLU A 77 -21.132 -9.260 5.905 1.00 65.54 H new ATOM 0 HB3 GLU A 77 -20.001 -10.523 5.463 1.00 65.54 H new ATOM 0 HG2 GLU A 77 -22.572 -10.876 7.046 1.00 3.52 H new ATOM 0 HG3 GLU A 77 -22.303 -11.341 5.378 1.00 3.52 H new TER 1343 GLU A 77