USER MOD reduce.3.24.130724 H: found=0, std=0, add=840, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 839 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 76 THR OG1 : rot -123:sc= -4.72! USER MOD Set 1.2: A 84 SER OG : rot 4:sc= 0.676! USER MOD Set 1.3: A 109 TYR OH : rot 94:sc= -0.42 USER MOD Set 1.4: A 110 ASN : amide:sc= -0.325 K(o=-4.8,f=-7.4) USER MOD Single : A 44 HIS : no HD1:sc= -37! C(o=-37!,f=-36!) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.707 USER MOD Single : A 46 SER OG : rot 180:sc= -0.115 USER MOD Single : A 48 GLN : amide:sc= -1.31 K(o=-1.3,f=-0.46) USER MOD Single : A 50 HIS : no HD1:sc= -8.81! C(o=-8.8!,f=-3.9!) USER MOD Single : A 56 LYS NZ :NH3+ -135:sc= -1.77 (180deg=-4.41!) USER MOD Single : A 58 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 65 ASN : amide:sc= -1.17 K(o=-1.2,f=-3.1!) USER MOD Single : A 74 MET CE :methyl -121:sc= -4.58! (180deg=-8.4!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl -161:sc= -0.147 (180deg=-0.225) USER MOD Single : A 82 LYS NZ :NH3+ 150:sc= -0.207 (180deg=-1.04) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -4.93! K(o=-4.9!,f=-0.22) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= -1.32 K(o=-1.3,f=-3.4!) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 157:sc= -0.101 (180deg=-0.794) USER MOD Single : A 125 LYS NZ :NH3+ 135:sc= 0.0309 (180deg=0) USER MOD Single : A 127 LYS NZ :NH3+ 180:sc= -0.0165 (180deg=-0.0165) USER MOD Single : A 137 SER OG : rot -127:sc= 0.883 USER MOD Single : A 139 HIS : no HD1:sc= -5.05! C(o=-5!,f=-4.3!) USER MOD Single : A 140 CYS SG : rot 170:sc= -3.8! USER MOD Single : A 141 THR OG1 : rot 180:sc= 0 USER MOD Single : A 147 THR OG1 : rot 180:sc= 0.0298 USER MOD Single : A 148 LYS NZ :NH3+ -135:sc= -2.35! (180deg=-5.28!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 40 3.086 10.773 3.664 1.00 0.00 N ATOM 2 CA PHE A 40 2.456 9.464 3.867 1.00 0.00 C ATOM 3 C PHE A 40 1.124 9.249 3.100 1.00 0.00 C ATOM 4 O PHE A 40 0.064 9.010 3.644 1.00 0.00 O ATOM 5 CB PHE A 40 2.306 9.343 5.324 1.00 0.00 C ATOM 6 CG PHE A 40 2.516 7.902 5.710 1.00 0.00 C ATOM 7 CD1 PHE A 40 3.815 7.470 5.886 1.00 0.00 C ATOM 8 CD2 PHE A 40 1.454 7.056 5.867 1.00 0.00 C ATOM 9 CE1 PHE A 40 4.083 6.138 6.236 1.00 0.00 C ATOM 10 CE2 PHE A 40 1.671 5.751 6.208 1.00 0.00 C ATOM 11 CZ PHE A 40 2.982 5.286 6.398 1.00 0.00 C ATOM 0 HA PHE A 40 3.079 8.675 3.446 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.029 9.980 5.833 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.315 9.677 5.631 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.632 8.163 5.753 1.00 0.00 H new ATOM 0 HD2 PHE A 40 0.447 7.418 5.722 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.094 5.784 6.375 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.835 5.078 6.331 1.00 0.00 H new ATOM 0 HZ PHE A 40 3.145 4.255 6.674 1.00 0.00 H new ATOM 21 N ARG A 41 1.290 9.355 1.807 1.00 0.00 N ATOM 22 CA ARG A 41 0.226 9.198 0.776 1.00 0.00 C ATOM 23 C ARG A 41 0.425 7.918 -0.004 1.00 0.00 C ATOM 24 O ARG A 41 1.027 7.003 0.485 1.00 0.00 O ATOM 25 CB ARG A 41 0.299 10.444 -0.100 1.00 0.00 C ATOM 26 CG ARG A 41 -0.196 11.659 0.698 1.00 0.00 C ATOM 27 CD ARG A 41 -1.706 11.508 0.938 1.00 0.00 C ATOM 28 NE ARG A 41 -2.187 12.677 1.719 1.00 0.00 N ATOM 29 CZ ARG A 41 -2.787 12.465 2.858 1.00 0.00 C ATOM 30 NH1 ARG A 41 -3.819 11.666 2.886 1.00 0.00 N ATOM 31 NH2 ARG A 41 -2.336 13.059 3.929 1.00 0.00 N ATOM 0 H ARG A 41 2.201 9.562 1.397 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.767 9.114 1.218 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.324 10.607 -0.434 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.310 10.310 -0.994 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.333 11.728 1.649 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.010 12.579 0.152 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.235 11.446 -0.013 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -1.912 10.583 1.477 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.051 13.626 1.372 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.142 11.220 2.027 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.302 11.487 3.767 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.527 13.677 3.867 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.792 12.905 4.828 1.00 0.00 H new ATOM 45 N ARG A 42 -0.058 7.846 -1.196 1.00 0.00 N ATOM 46 CA ARG A 42 0.137 6.559 -1.969 1.00 0.00 C ATOM 47 C ARG A 42 1.519 6.424 -2.597 1.00 0.00 C ATOM 48 O ARG A 42 1.956 7.228 -3.397 1.00 0.00 O ATOM 49 CB ARG A 42 -0.836 6.457 -3.094 1.00 0.00 C ATOM 50 CG ARG A 42 -0.868 7.811 -3.765 1.00 0.00 C ATOM 51 CD ARG A 42 -2.100 8.553 -3.258 1.00 0.00 C ATOM 52 NE ARG A 42 -1.758 9.996 -3.099 1.00 0.00 N ATOM 53 CZ ARG A 42 -2.542 10.919 -3.586 1.00 0.00 C ATOM 54 NH1 ARG A 42 -3.833 10.751 -3.518 1.00 0.00 N ATOM 55 NH2 ARG A 42 -2.006 11.979 -4.124 1.00 0.00 N ATOM 0 H ARG A 42 -0.568 8.586 -1.678 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.005 5.774 -1.226 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -0.533 5.683 -3.799 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.825 6.184 -2.727 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.038 8.373 -3.536 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -0.908 7.700 -4.849 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -2.927 8.436 -3.959 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.427 8.135 -2.306 1.00 0.00 H new ATOM 0 HE ARG A 42 -0.906 10.263 -2.606 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -4.216 9.908 -3.089 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.460 11.462 -3.894 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.991 12.076 -4.159 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.602 12.712 -4.510 1.00 0.00 H new ATOM 69 N ASP A 43 2.143 5.345 -2.163 1.00 0.00 N ATOM 70 CA ASP A 43 3.524 4.979 -2.592 1.00 0.00 C ATOM 71 C ASP A 43 4.020 6.280 -2.019 1.00 0.00 C ATOM 72 O ASP A 43 4.844 6.969 -2.585 1.00 0.00 O ATOM 73 CB ASP A 43 3.661 4.939 -4.122 1.00 0.00 C ATOM 74 CG ASP A 43 5.027 4.323 -4.452 1.00 0.00 C ATOM 75 OD1 ASP A 43 6.014 4.920 -4.051 1.00 0.00 O ATOM 76 OD2 ASP A 43 4.998 3.282 -5.086 1.00 0.00 O ATOM 0 H ASP A 43 1.728 4.685 -1.505 1.00 0.00 H new ATOM 0 HA ASP A 43 3.970 4.027 -2.304 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.858 4.348 -4.563 1.00 0.00 H new ATOM 0 HB3 ASP A 43 3.583 5.943 -4.539 1.00 0.00 H new ATOM 81 N HIS A 44 3.432 6.526 -0.865 1.00 0.00 N ATOM 82 CA HIS A 44 3.713 7.755 -0.111 1.00 0.00 C ATOM 83 C HIS A 44 4.868 8.592 -0.504 1.00 0.00 C ATOM 84 O HIS A 44 4.802 9.631 -1.127 1.00 0.00 O ATOM 85 CB HIS A 44 3.914 7.627 1.423 1.00 0.00 C ATOM 86 CG HIS A 44 3.592 6.572 2.355 1.00 0.00 C ATOM 87 ND1 HIS A 44 4.553 5.954 2.923 1.00 0.00 N ATOM 88 CD2 HIS A 44 2.414 6.073 2.850 1.00 0.00 C ATOM 89 CE1 HIS A 44 4.054 5.114 3.733 1.00 0.00 C ATOM 90 NE2 HIS A 44 2.738 5.143 3.727 1.00 0.00 N ATOM 0 H HIS A 44 2.758 5.901 -0.422 1.00 0.00 H new ATOM 0 HA HIS A 44 2.767 8.220 -0.386 1.00 0.00 H new ATOM 0 HB2 HIS A 44 4.983 7.785 1.563 1.00 0.00 H new ATOM 0 HB3 HIS A 44 3.406 8.502 1.829 1.00 0.00 H new ATOM 0 HD2 HIS A 44 1.416 6.382 2.575 1.00 0.00 H new ATOM 0 HE1 HIS A 44 4.640 4.453 4.354 1.00 0.00 H new ATOM 0 HE2 HIS A 44 2.104 4.569 4.282 1.00 0.00 H new ATOM 98 N THR A 45 5.896 8.006 -0.068 1.00 0.00 N ATOM 99 CA THR A 45 7.255 8.539 -0.275 1.00 0.00 C ATOM 100 C THR A 45 8.147 7.605 -1.023 1.00 0.00 C ATOM 101 O THR A 45 7.896 6.421 -1.121 1.00 0.00 O ATOM 102 CB THR A 45 7.864 8.843 1.044 1.00 0.00 C ATOM 103 OG1 THR A 45 7.392 7.852 1.942 1.00 0.00 O ATOM 104 CG2 THR A 45 7.292 10.144 1.476 1.00 0.00 C ATOM 0 H THR A 45 5.868 7.130 0.454 1.00 0.00 H new ATOM 0 HA THR A 45 7.156 9.439 -0.882 1.00 0.00 H new ATOM 0 HB THR A 45 8.953 8.870 1.010 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.770 8.010 2.832 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.706 10.420 2.446 1.00 0.00 H new ATOM 0 HG22 THR A 45 7.541 10.912 0.744 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.208 10.056 1.556 1.00 0.00 H new ATOM 112 N SER A 46 9.179 8.227 -1.517 1.00 0.00 N ATOM 113 CA SER A 46 10.188 7.468 -2.301 1.00 0.00 C ATOM 114 C SER A 46 11.296 8.227 -3.011 1.00 0.00 C ATOM 115 O SER A 46 11.392 8.250 -4.221 1.00 0.00 O ATOM 116 CB SER A 46 9.519 6.618 -3.374 1.00 0.00 C ATOM 117 OG SER A 46 8.478 7.415 -3.918 1.00 0.00 O ATOM 0 H SER A 46 9.367 9.224 -1.412 1.00 0.00 H new ATOM 0 HA SER A 46 10.671 6.906 -1.501 1.00 0.00 H new ATOM 0 HB2 SER A 46 10.234 6.332 -4.146 1.00 0.00 H new ATOM 0 HB3 SER A 46 9.122 5.696 -2.949 1.00 0.00 H new ATOM 0 HG SER A 46 8.013 6.912 -4.619 1.00 0.00 H new ATOM 123 N ASP A 47 12.106 8.859 -2.228 1.00 0.00 N ATOM 124 CA ASP A 47 13.241 9.606 -2.817 1.00 0.00 C ATOM 125 C ASP A 47 14.274 8.587 -2.379 1.00 0.00 C ATOM 126 O ASP A 47 15.203 8.223 -3.068 1.00 0.00 O ATOM 127 CB ASP A 47 13.426 10.948 -2.112 1.00 0.00 C ATOM 128 CG ASP A 47 14.597 11.695 -2.755 1.00 0.00 C ATOM 129 OD1 ASP A 47 15.696 11.172 -2.667 1.00 0.00 O ATOM 130 OD2 ASP A 47 14.320 12.748 -3.304 1.00 0.00 O ATOM 0 H ASP A 47 12.036 8.893 -1.211 1.00 0.00 H new ATOM 0 HA ASP A 47 13.208 9.880 -3.872 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.515 11.541 -2.188 1.00 0.00 H new ATOM 0 HB3 ASP A 47 13.617 10.792 -1.050 1.00 0.00 H new ATOM 135 N GLN A 48 13.988 8.190 -1.171 1.00 0.00 N ATOM 136 CA GLN A 48 14.687 7.231 -0.373 1.00 0.00 C ATOM 137 C GLN A 48 14.630 5.900 -1.106 1.00 0.00 C ATOM 138 O GLN A 48 15.538 5.114 -1.020 1.00 0.00 O ATOM 139 CB GLN A 48 13.958 7.293 0.952 1.00 0.00 C ATOM 140 CG GLN A 48 13.971 5.953 1.547 1.00 0.00 C ATOM 141 CD GLN A 48 13.349 5.987 2.943 1.00 0.00 C ATOM 142 OE1 GLN A 48 12.165 6.206 3.103 1.00 0.00 O ATOM 143 NE2 GLN A 48 14.113 5.780 3.980 1.00 0.00 N ATOM 0 H GLN A 48 13.181 8.569 -0.676 1.00 0.00 H new ATOM 0 HA GLN A 48 15.749 7.404 -0.199 1.00 0.00 H new ATOM 0 HB2 GLN A 48 14.440 8.009 1.618 1.00 0.00 H new ATOM 0 HB3 GLN A 48 12.933 7.634 0.806 1.00 0.00 H new ATOM 0 HG2 GLN A 48 13.419 5.260 0.912 1.00 0.00 H new ATOM 0 HG3 GLN A 48 14.995 5.584 1.606 1.00 0.00 H new ATOM 0 HE21 GLN A 48 15.108 5.596 3.852 1.00 0.00 H new ATOM 0 HE22 GLN A 48 13.715 5.803 4.919 1.00 0.00 H new ATOM 152 N LEU A 49 13.545 5.671 -1.787 1.00 0.00 N ATOM 153 CA LEU A 49 13.327 4.412 -2.564 1.00 0.00 C ATOM 154 C LEU A 49 14.316 4.138 -3.629 1.00 0.00 C ATOM 155 O LEU A 49 14.984 3.160 -3.844 1.00 0.00 O ATOM 156 CB LEU A 49 12.031 4.506 -3.273 1.00 0.00 C ATOM 157 CG LEU A 49 11.014 3.532 -3.021 1.00 0.00 C ATOM 158 CD1 LEU A 49 11.653 2.341 -3.648 1.00 0.00 C ATOM 159 CD2 LEU A 49 11.089 3.609 -1.562 1.00 0.00 C ATOM 0 H LEU A 49 12.768 6.329 -1.841 1.00 0.00 H new ATOM 0 HA LEU A 49 13.394 3.621 -1.817 1.00 0.00 H new ATOM 0 HB2 LEU A 49 11.607 5.485 -3.049 1.00 0.00 H new ATOM 0 HB3 LEU A 49 12.242 4.487 -4.342 1.00 0.00 H new ATOM 0 HG LEU A 49 9.982 3.589 -3.368 1.00 0.00 H new ATOM 0 HD11 LEU A 49 10.995 1.478 -3.545 1.00 0.00 H new ATOM 0 HD12 LEU A 49 11.831 2.538 -4.705 1.00 0.00 H new ATOM 0 HD13 LEU A 49 12.602 2.134 -3.153 1.00 0.00 H new ATOM 0 HD21 LEU A 49 10.368 2.919 -1.124 1.00 0.00 H new ATOM 0 HD22 LEU A 49 12.093 3.340 -1.235 1.00 0.00 H new ATOM 0 HD23 LEU A 49 10.862 4.625 -1.239 1.00 0.00 H new ATOM 171 N HIS A 50 14.321 5.157 -4.348 1.00 0.00 N ATOM 172 CA HIS A 50 15.201 5.138 -5.488 1.00 0.00 C ATOM 173 C HIS A 50 16.637 5.220 -5.066 1.00 0.00 C ATOM 174 O HIS A 50 17.510 4.606 -5.648 1.00 0.00 O ATOM 175 CB HIS A 50 14.658 6.290 -6.316 1.00 0.00 C ATOM 176 CG HIS A 50 13.216 6.014 -6.679 1.00 0.00 C ATOM 177 ND1 HIS A 50 12.752 5.714 -7.846 1.00 0.00 N ATOM 178 CD2 HIS A 50 12.128 6.026 -5.866 1.00 0.00 C ATOM 179 CE1 HIS A 50 11.467 5.553 -7.764 1.00 0.00 C ATOM 180 NE2 HIS A 50 11.034 5.739 -6.542 1.00 0.00 N ATOM 0 H HIS A 50 13.765 6.001 -4.210 1.00 0.00 H new ATOM 0 HA HIS A 50 15.213 4.220 -6.075 1.00 0.00 H new ATOM 0 HB2 HIS A 50 14.731 7.221 -5.755 1.00 0.00 H new ATOM 0 HB3 HIS A 50 15.254 6.415 -7.220 1.00 0.00 H new ATOM 0 HD2 HIS A 50 12.156 6.242 -4.808 1.00 0.00 H new ATOM 0 HE1 HIS A 50 10.833 5.297 -8.600 1.00 0.00 H new ATOM 0 HE2 HIS A 50 10.077 5.676 -6.196 1.00 0.00 H new ATOM 188 N ALA A 51 16.843 5.984 -4.052 1.00 0.00 N ATOM 189 CA ALA A 51 18.178 6.154 -3.537 1.00 0.00 C ATOM 190 C ALA A 51 18.671 4.888 -2.833 1.00 0.00 C ATOM 191 O ALA A 51 19.826 4.525 -2.922 1.00 0.00 O ATOM 192 CB ALA A 51 18.154 7.302 -2.567 1.00 0.00 C ATOM 0 H ALA A 51 16.117 6.503 -3.557 1.00 0.00 H new ATOM 0 HA ALA A 51 18.862 6.354 -4.362 1.00 0.00 H new ATOM 0 HB1 ALA A 51 19.153 7.455 -2.160 1.00 0.00 H new ATOM 0 HB2 ALA A 51 17.830 8.206 -3.082 1.00 0.00 H new ATOM 0 HB3 ALA A 51 17.462 7.078 -1.755 1.00 0.00 H new ATOM 198 N GLU A 52 17.747 4.261 -2.152 1.00 0.00 N ATOM 199 CA GLU A 52 18.008 3.051 -1.384 1.00 0.00 C ATOM 200 C GLU A 52 17.544 1.676 -1.826 1.00 0.00 C ATOM 201 O GLU A 52 18.236 0.688 -1.704 1.00 0.00 O ATOM 202 CB GLU A 52 17.459 3.302 -0.045 1.00 0.00 C ATOM 203 CG GLU A 52 18.156 2.442 0.984 1.00 0.00 C ATOM 204 CD GLU A 52 18.975 3.361 1.887 1.00 0.00 C ATOM 205 OE1 GLU A 52 19.982 3.837 1.390 1.00 0.00 O ATOM 206 OE2 GLU A 52 18.547 3.532 3.016 1.00 0.00 O ATOM 0 H GLU A 52 16.777 4.573 -2.109 1.00 0.00 H new ATOM 0 HA GLU A 52 19.085 2.932 -1.501 1.00 0.00 H new ATOM 0 HB2 GLU A 52 17.578 4.355 0.212 1.00 0.00 H new ATOM 0 HB3 GLU A 52 16.390 3.092 -0.039 1.00 0.00 H new ATOM 0 HG2 GLU A 52 17.427 1.882 1.570 1.00 0.00 H new ATOM 0 HG3 GLU A 52 18.802 1.712 0.497 1.00 0.00 H new ATOM 213 N PHE A 53 16.360 1.663 -2.336 1.00 0.00 N ATOM 214 CA PHE A 53 15.749 0.383 -2.790 1.00 0.00 C ATOM 215 C PHE A 53 16.377 -0.199 -4.027 1.00 0.00 C ATOM 216 O PHE A 53 16.530 -1.402 -4.120 1.00 0.00 O ATOM 217 CB PHE A 53 14.333 0.700 -2.942 1.00 0.00 C ATOM 218 CG PHE A 53 13.436 -0.036 -2.050 1.00 0.00 C ATOM 219 CD1 PHE A 53 13.707 -0.041 -0.733 1.00 0.00 C ATOM 220 CD2 PHE A 53 12.366 -0.712 -2.525 1.00 0.00 C ATOM 221 CE1 PHE A 53 12.923 -0.726 0.133 1.00 0.00 C ATOM 222 CE2 PHE A 53 11.596 -1.387 -1.706 1.00 0.00 C ATOM 223 CZ PHE A 53 11.844 -1.410 -0.361 1.00 0.00 C ATOM 0 H PHE A 53 15.775 2.489 -2.463 1.00 0.00 H new ATOM 0 HA PHE A 53 15.915 -0.417 -2.069 1.00 0.00 H new ATOM 0 HB2 PHE A 53 14.195 1.768 -2.772 1.00 0.00 H new ATOM 0 HB3 PHE A 53 14.040 0.501 -3.973 1.00 0.00 H new ATOM 0 HD1 PHE A 53 14.560 0.508 -0.362 1.00 0.00 H new ATOM 0 HD2 PHE A 53 12.145 -0.696 -3.582 1.00 0.00 H new ATOM 0 HE1 PHE A 53 13.144 -0.733 1.190 1.00 0.00 H new ATOM 0 HE2 PHE A 53 10.752 -1.934 -2.100 1.00 0.00 H new ATOM 0 HZ PHE A 53 11.196 -1.961 0.304 1.00 0.00 H new ATOM 233 N ASP A 54 16.704 0.692 -4.917 1.00 0.00 N ATOM 234 CA ASP A 54 17.343 0.335 -6.213 1.00 0.00 C ATOM 235 C ASP A 54 17.997 -1.059 -6.256 1.00 0.00 C ATOM 236 O ASP A 54 17.531 -1.919 -6.976 1.00 0.00 O ATOM 237 CB ASP A 54 18.341 1.452 -6.482 1.00 0.00 C ATOM 238 CG ASP A 54 19.241 1.142 -7.682 1.00 0.00 C ATOM 239 OD1 ASP A 54 20.172 0.369 -7.510 1.00 0.00 O ATOM 240 OD2 ASP A 54 18.938 1.706 -8.720 1.00 0.00 O ATOM 0 H ASP A 54 16.548 1.693 -4.794 1.00 0.00 H new ATOM 0 HA ASP A 54 16.583 0.255 -6.990 1.00 0.00 H new ATOM 0 HB2 ASP A 54 17.803 2.383 -6.663 1.00 0.00 H new ATOM 0 HB3 ASP A 54 18.958 1.608 -5.597 1.00 0.00 H new ATOM 245 N GLY A 55 19.051 -1.270 -5.502 1.00 0.00 N ATOM 246 CA GLY A 55 19.685 -2.625 -5.544 1.00 0.00 C ATOM 247 C GLY A 55 20.617 -2.998 -4.373 1.00 0.00 C ATOM 248 O GLY A 55 21.767 -3.298 -4.624 1.00 0.00 O ATOM 0 H GLY A 55 19.487 -0.589 -4.880 1.00 0.00 H new ATOM 0 HA2 GLY A 55 18.890 -3.369 -5.595 1.00 0.00 H new ATOM 0 HA3 GLY A 55 20.255 -2.704 -6.469 1.00 0.00 H new ATOM 252 N LYS A 56 20.160 -2.984 -3.145 1.00 0.00 N ATOM 253 CA LYS A 56 21.081 -3.353 -2.019 1.00 0.00 C ATOM 254 C LYS A 56 20.506 -4.426 -1.088 1.00 0.00 C ATOM 255 O LYS A 56 19.485 -5.027 -1.356 1.00 0.00 O ATOM 256 CB LYS A 56 21.400 -2.100 -1.225 1.00 0.00 C ATOM 257 CG LYS A 56 20.105 -1.497 -0.771 1.00 0.00 C ATOM 258 CD LYS A 56 20.364 -0.480 0.349 1.00 0.00 C ATOM 259 CE LYS A 56 21.121 0.763 -0.166 1.00 0.00 C ATOM 260 NZ LYS A 56 22.555 0.459 -0.431 1.00 0.00 N ATOM 0 H LYS A 56 19.208 -2.738 -2.874 1.00 0.00 H new ATOM 0 HA LYS A 56 21.981 -3.782 -2.459 1.00 0.00 H new ATOM 0 HB2 LYS A 56 22.029 -2.342 -0.368 1.00 0.00 H new ATOM 0 HB3 LYS A 56 21.956 -1.391 -1.839 1.00 0.00 H new ATOM 0 HG2 LYS A 56 19.608 -1.009 -1.609 1.00 0.00 H new ATOM 0 HG3 LYS A 56 19.435 -2.280 -0.415 1.00 0.00 H new ATOM 0 HD2 LYS A 56 19.414 -0.171 0.786 1.00 0.00 H new ATOM 0 HD3 LYS A 56 20.941 -0.954 1.143 1.00 0.00 H new ATOM 0 HE2 LYS A 56 20.650 1.124 -1.080 1.00 0.00 H new ATOM 0 HE3 LYS A 56 21.048 1.565 0.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 23.149 1.218 -0.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 22.807 -0.444 0.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 22.711 0.390 -1.457 1.00 0.00 H new ATOM 274 N GLU A 57 21.209 -4.616 -0.006 1.00 0.00 N ATOM 275 CA GLU A 57 20.822 -5.622 1.022 1.00 0.00 C ATOM 276 C GLU A 57 19.581 -5.365 1.885 1.00 0.00 C ATOM 277 O GLU A 57 19.340 -4.283 2.364 1.00 0.00 O ATOM 278 CB GLU A 57 22.050 -5.804 1.907 1.00 0.00 C ATOM 279 CG GLU A 57 22.300 -4.534 2.740 1.00 0.00 C ATOM 280 CD GLU A 57 23.513 -4.735 3.646 1.00 0.00 C ATOM 281 OE1 GLU A 57 24.569 -4.995 3.095 1.00 0.00 O ATOM 282 OE2 GLU A 57 23.306 -4.611 4.843 1.00 0.00 O ATOM 0 H GLU A 57 22.061 -4.100 0.214 1.00 0.00 H new ATOM 0 HA GLU A 57 20.509 -6.507 0.468 1.00 0.00 H new ATOM 0 HB2 GLU A 57 21.907 -6.659 2.568 1.00 0.00 H new ATOM 0 HB3 GLU A 57 22.922 -6.021 1.290 1.00 0.00 H new ATOM 0 HG2 GLU A 57 22.466 -3.683 2.080 1.00 0.00 H new ATOM 0 HG3 GLU A 57 21.420 -4.304 3.341 1.00 0.00 H new ATOM 289 N ASN A 58 18.834 -6.426 2.036 1.00 0.00 N ATOM 290 CA ASN A 58 17.574 -6.496 2.819 1.00 0.00 C ATOM 291 C ASN A 58 17.468 -5.576 4.018 1.00 0.00 C ATOM 292 O ASN A 58 16.563 -4.804 4.239 1.00 0.00 O ATOM 293 CB ASN A 58 17.434 -7.855 3.293 1.00 0.00 C ATOM 294 CG ASN A 58 16.754 -8.719 2.235 1.00 0.00 C ATOM 295 OD1 ASN A 58 17.243 -8.872 1.134 1.00 0.00 O ATOM 296 ND2 ASN A 58 15.624 -9.301 2.530 1.00 0.00 N ATOM 0 H ASN A 58 19.076 -7.319 1.607 1.00 0.00 H new ATOM 0 HA ASN A 58 16.789 -6.167 2.138 1.00 0.00 H new ATOM 0 HB2 ASN A 58 18.415 -8.266 3.533 1.00 0.00 H new ATOM 0 HB3 ASN A 58 16.850 -7.868 4.213 1.00 0.00 H new ATOM 0 HD21 ASN A 58 15.154 -9.883 1.837 1.00 0.00 H new ATOM 0 HD22 ASN A 58 15.211 -9.174 3.454 1.00 0.00 H new ATOM 303 N GLU A 59 18.505 -5.803 4.741 1.00 0.00 N ATOM 304 CA GLU A 59 18.907 -5.194 6.013 1.00 0.00 C ATOM 305 C GLU A 59 18.416 -3.788 6.122 1.00 0.00 C ATOM 306 O GLU A 59 17.803 -3.301 7.048 1.00 0.00 O ATOM 307 CB GLU A 59 20.355 -5.268 5.960 1.00 0.00 C ATOM 308 CG GLU A 59 21.066 -5.090 7.303 1.00 0.00 C ATOM 309 CD GLU A 59 20.910 -3.635 7.749 1.00 0.00 C ATOM 310 OE1 GLU A 59 21.578 -2.819 7.132 1.00 0.00 O ATOM 311 OE2 GLU A 59 20.136 -3.427 8.667 1.00 0.00 O ATOM 0 H GLU A 59 19.190 -6.498 4.443 1.00 0.00 H new ATOM 0 HA GLU A 59 18.491 -5.694 6.888 1.00 0.00 H new ATOM 0 HB2 GLU A 59 20.638 -6.234 5.542 1.00 0.00 H new ATOM 0 HB3 GLU A 59 20.717 -4.504 5.271 1.00 0.00 H new ATOM 0 HG2 GLU A 59 20.640 -5.762 8.048 1.00 0.00 H new ATOM 0 HG3 GLU A 59 22.121 -5.346 7.209 1.00 0.00 H new ATOM 318 N GLU A 60 18.807 -3.262 5.018 1.00 0.00 N ATOM 319 CA GLU A 60 18.636 -1.913 4.580 1.00 0.00 C ATOM 320 C GLU A 60 17.206 -1.621 4.176 1.00 0.00 C ATOM 321 O GLU A 60 16.605 -0.705 4.691 1.00 0.00 O ATOM 322 CB GLU A 60 19.664 -1.826 3.499 1.00 0.00 C ATOM 323 CG GLU A 60 20.605 -0.700 3.772 1.00 0.00 C ATOM 324 CD GLU A 60 19.946 0.673 3.623 1.00 0.00 C ATOM 325 OE1 GLU A 60 18.763 0.690 3.341 1.00 0.00 O ATOM 326 OE2 GLU A 60 20.675 1.633 3.802 1.00 0.00 O ATOM 0 H GLU A 60 19.306 -3.818 4.324 1.00 0.00 H new ATOM 0 HA GLU A 60 18.787 -1.144 5.338 1.00 0.00 H new ATOM 0 HB2 GLU A 60 20.216 -2.764 3.436 1.00 0.00 H new ATOM 0 HB3 GLU A 60 19.177 -1.677 2.535 1.00 0.00 H new ATOM 0 HG2 GLU A 60 21.001 -0.800 4.783 1.00 0.00 H new ATOM 0 HG3 GLU A 60 21.452 -0.767 3.090 1.00 0.00 H new ATOM 333 N LEU A 61 16.720 -2.414 3.265 1.00 0.00 N ATOM 334 CA LEU A 61 15.353 -2.322 2.730 1.00 0.00 C ATOM 335 C LEU A 61 14.376 -2.147 3.868 1.00 0.00 C ATOM 336 O LEU A 61 13.290 -1.617 3.756 1.00 0.00 O ATOM 337 CB LEU A 61 14.996 -3.594 1.919 1.00 0.00 C ATOM 338 CG LEU A 61 15.662 -3.569 0.531 1.00 0.00 C ATOM 339 CD1 LEU A 61 15.126 -2.407 -0.235 1.00 0.00 C ATOM 340 CD2 LEU A 61 17.156 -3.453 0.569 1.00 0.00 C ATOM 0 H LEU A 61 17.263 -3.171 2.849 1.00 0.00 H new ATOM 0 HA LEU A 61 15.295 -1.461 2.064 1.00 0.00 H new ATOM 0 HB2 LEU A 61 15.319 -4.480 2.465 1.00 0.00 H new ATOM 0 HB3 LEU A 61 13.914 -3.666 1.806 1.00 0.00 H new ATOM 0 HG LEU A 61 15.429 -4.525 0.061 1.00 0.00 H new ATOM 0 HD11 LEU A 61 15.589 -2.376 -1.221 1.00 0.00 H new ATOM 0 HD12 LEU A 61 14.046 -2.510 -0.344 1.00 0.00 H new ATOM 0 HD13 LEU A 61 15.350 -1.484 0.300 1.00 0.00 H new ATOM 0 HD21 LEU A 61 17.546 -3.442 -0.449 1.00 0.00 H new ATOM 0 HD22 LEU A 61 17.436 -2.529 1.075 1.00 0.00 H new ATOM 0 HD23 LEU A 61 17.573 -4.303 1.109 1.00 0.00 H new ATOM 352 N GLU A 62 14.854 -2.674 4.945 1.00 0.00 N ATOM 353 CA GLU A 62 14.223 -2.716 6.218 1.00 0.00 C ATOM 354 C GLU A 62 14.528 -1.544 7.150 1.00 0.00 C ATOM 355 O GLU A 62 13.685 -0.914 7.747 1.00 0.00 O ATOM 356 CB GLU A 62 14.715 -3.960 6.703 1.00 0.00 C ATOM 357 CG GLU A 62 13.963 -5.071 6.075 1.00 0.00 C ATOM 358 CD GLU A 62 14.577 -6.397 6.509 1.00 0.00 C ATOM 359 OE1 GLU A 62 14.620 -6.607 7.709 1.00 0.00 O ATOM 360 OE2 GLU A 62 14.963 -7.120 5.607 1.00 0.00 O ATOM 0 H GLU A 62 15.770 -3.122 4.956 1.00 0.00 H new ATOM 0 HA GLU A 62 13.138 -2.631 6.158 1.00 0.00 H new ATOM 0 HB2 GLU A 62 15.778 -4.054 6.479 1.00 0.00 H new ATOM 0 HB3 GLU A 62 14.612 -4.005 7.787 1.00 0.00 H new ATOM 0 HG2 GLU A 62 12.914 -5.028 6.369 1.00 0.00 H new ATOM 0 HG3 GLU A 62 13.994 -4.980 4.989 1.00 0.00 H new ATOM 367 N ALA A 63 15.796 -1.324 7.237 1.00 0.00 N ATOM 368 CA ALA A 63 16.403 -0.276 8.048 1.00 0.00 C ATOM 369 C ALA A 63 15.667 1.013 7.796 1.00 0.00 C ATOM 370 O ALA A 63 15.428 1.814 8.677 1.00 0.00 O ATOM 371 CB ALA A 63 17.854 -0.153 7.653 1.00 0.00 C ATOM 0 H ALA A 63 16.483 -1.883 6.731 1.00 0.00 H new ATOM 0 HA ALA A 63 16.342 -0.512 9.110 1.00 0.00 H new ATOM 0 HB1 ALA A 63 18.328 0.627 8.249 1.00 0.00 H new ATOM 0 HB2 ALA A 63 18.361 -1.102 7.828 1.00 0.00 H new ATOM 0 HB3 ALA A 63 17.923 0.105 6.596 1.00 0.00 H new ATOM 377 N LEU A 64 15.340 1.119 6.538 1.00 0.00 N ATOM 378 CA LEU A 64 14.634 2.261 6.003 1.00 0.00 C ATOM 379 C LEU A 64 13.176 2.161 5.738 1.00 0.00 C ATOM 380 O LEU A 64 12.482 3.137 5.534 1.00 0.00 O ATOM 381 CB LEU A 64 15.405 2.704 4.771 1.00 0.00 C ATOM 382 CG LEU A 64 15.376 1.836 3.529 1.00 0.00 C ATOM 383 CD1 LEU A 64 14.262 0.896 3.446 1.00 0.00 C ATOM 384 CD2 LEU A 64 15.238 2.756 2.325 1.00 0.00 C ATOM 0 H LEU A 64 15.558 0.406 5.841 1.00 0.00 H new ATOM 0 HA LEU A 64 14.615 2.996 6.807 1.00 0.00 H new ATOM 0 HB2 LEU A 64 15.036 3.691 4.490 1.00 0.00 H new ATOM 0 HB3 LEU A 64 16.448 2.825 5.063 1.00 0.00 H new ATOM 0 HG LEU A 64 16.294 1.249 3.561 1.00 0.00 H new ATOM 0 HD11 LEU A 64 14.336 0.325 2.520 1.00 0.00 H new ATOM 0 HD12 LEU A 64 14.297 0.215 4.296 1.00 0.00 H new ATOM 0 HD13 LEU A 64 13.321 1.445 3.459 1.00 0.00 H new ATOM 0 HD21 LEU A 64 15.214 2.160 1.413 1.00 0.00 H new ATOM 0 HD22 LEU A 64 14.314 3.329 2.409 1.00 0.00 H new ATOM 0 HD23 LEU A 64 16.087 3.439 2.290 1.00 0.00 H new ATOM 396 N ASN A 65 12.859 0.915 5.763 1.00 0.00 N ATOM 397 CA ASN A 65 11.486 0.385 5.511 1.00 0.00 C ATOM 398 C ASN A 65 10.436 1.475 5.427 1.00 0.00 C ATOM 399 O ASN A 65 10.152 2.266 6.306 1.00 0.00 O ATOM 400 CB ASN A 65 11.082 -0.543 6.621 1.00 0.00 C ATOM 401 CG ASN A 65 10.977 0.219 7.948 1.00 0.00 C ATOM 402 OD1 ASN A 65 11.896 0.881 8.391 1.00 0.00 O ATOM 403 ND2 ASN A 65 9.858 0.149 8.614 1.00 0.00 N ATOM 0 H ASN A 65 13.539 0.181 5.962 1.00 0.00 H new ATOM 0 HA ASN A 65 11.533 -0.129 4.551 1.00 0.00 H new ATOM 0 HB2 ASN A 65 10.124 -1.007 6.385 1.00 0.00 H new ATOM 0 HB3 ASN A 65 11.812 -1.348 6.714 1.00 0.00 H new ATOM 0 HD21 ASN A 65 9.759 0.647 9.499 1.00 0.00 H new ATOM 0 HD22 ASN A 65 9.082 -0.404 8.250 1.00 0.00 H new ATOM 410 N ILE A 66 9.896 1.402 4.248 1.00 0.00 N ATOM 411 CA ILE A 66 8.855 2.296 3.756 1.00 0.00 C ATOM 412 C ILE A 66 7.653 1.469 3.557 1.00 0.00 C ATOM 413 O ILE A 66 7.511 0.636 2.686 1.00 0.00 O ATOM 414 CB ILE A 66 9.538 2.845 2.566 1.00 0.00 C ATOM 415 CG1 ILE A 66 8.676 3.739 1.680 1.00 0.00 C ATOM 416 CG2 ILE A 66 10.464 1.830 1.748 1.00 0.00 C ATOM 417 CD1 ILE A 66 8.117 4.902 2.494 1.00 0.00 C ATOM 0 H ILE A 66 10.169 0.695 3.565 1.00 0.00 H new ATOM 0 HA ILE A 66 8.487 3.117 4.372 1.00 0.00 H new ATOM 0 HB ILE A 66 10.258 3.520 3.028 1.00 0.00 H new ATOM 0 HG12 ILE A 66 9.268 4.119 0.848 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.859 3.159 1.251 1.00 0.00 H new ATOM 0 HG21 ILE A 66 10.910 2.348 0.899 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.253 1.453 2.398 1.00 0.00 H new ATOM 0 HG23 ILE A 66 9.861 0.996 1.388 1.00 0.00 H new ATOM 0 HD11 ILE A 66 7.503 5.534 1.852 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.508 4.515 3.311 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.940 5.489 2.902 1.00 0.00 H new ATOM 429 N GLU A 67 6.820 1.811 4.473 1.00 0.00 N ATOM 430 CA GLU A 67 5.519 1.178 4.569 1.00 0.00 C ATOM 431 C GLU A 67 4.617 1.981 3.685 1.00 0.00 C ATOM 432 O GLU A 67 3.677 2.574 4.168 1.00 0.00 O ATOM 433 CB GLU A 67 5.078 1.233 5.992 1.00 0.00 C ATOM 434 CG GLU A 67 6.111 0.506 6.852 1.00 0.00 C ATOM 435 CD GLU A 67 5.664 0.572 8.313 1.00 0.00 C ATOM 436 OE1 GLU A 67 4.545 0.149 8.560 1.00 0.00 O ATOM 437 OE2 GLU A 67 6.474 1.043 9.094 1.00 0.00 O ATOM 0 H GLU A 67 7.001 2.526 5.177 1.00 0.00 H new ATOM 0 HA GLU A 67 5.520 0.132 4.261 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.977 2.269 6.317 1.00 0.00 H new ATOM 0 HB3 GLU A 67 4.099 0.767 6.103 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.206 -0.532 6.532 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.092 0.967 6.735 1.00 0.00 H new ATOM 444 N VAL A 68 4.880 1.942 2.398 1.00 0.00 N ATOM 445 CA VAL A 68 4.010 2.736 1.569 1.00 0.00 C ATOM 446 C VAL A 68 2.701 2.136 1.315 1.00 0.00 C ATOM 447 O VAL A 68 2.370 0.977 1.217 1.00 0.00 O ATOM 448 CB VAL A 68 4.576 3.059 0.234 1.00 0.00 C ATOM 449 CG1 VAL A 68 5.187 4.423 0.453 1.00 0.00 C ATOM 450 CG2 VAL A 68 5.612 2.065 -0.209 1.00 0.00 C ATOM 0 H VAL A 68 5.622 1.418 1.935 1.00 0.00 H new ATOM 0 HA VAL A 68 3.901 3.638 2.171 1.00 0.00 H new ATOM 0 HB VAL A 68 3.825 3.034 -0.555 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.642 4.771 -0.474 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.411 5.124 0.762 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.949 4.360 1.229 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.992 2.349 -1.190 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.433 2.051 0.508 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.163 1.073 -0.267 1.00 0.00 H new ATOM 460 N ALA A 69 2.058 3.223 1.221 1.00 0.00 N ATOM 461 CA ALA A 69 0.685 3.485 1.025 1.00 0.00 C ATOM 462 C ALA A 69 -0.113 3.622 -0.145 1.00 0.00 C ATOM 463 O ALA A 69 0.206 3.525 -1.312 1.00 0.00 O ATOM 464 CB ALA A 69 0.630 4.532 1.689 1.00 0.00 C ATOM 0 H ALA A 69 2.568 4.103 1.292 1.00 0.00 H new ATOM 0 HA ALA A 69 0.215 2.520 1.215 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.388 4.922 1.670 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.921 4.325 2.719 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.309 5.270 1.262 1.00 0.00 H new ATOM 470 N VAL A 70 -1.249 3.884 0.417 1.00 0.00 N ATOM 471 CA VAL A 70 -2.397 4.132 -0.405 1.00 0.00 C ATOM 472 C VAL A 70 -3.320 5.109 0.236 1.00 0.00 C ATOM 473 O VAL A 70 -3.964 4.965 1.255 1.00 0.00 O ATOM 474 CB VAL A 70 -3.189 2.983 -0.682 1.00 0.00 C ATOM 475 CG1 VAL A 70 -2.231 2.060 -1.244 1.00 0.00 C ATOM 476 CG2 VAL A 70 -3.796 2.269 0.486 1.00 0.00 C ATOM 0 H VAL A 70 -1.410 3.932 1.423 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.966 4.505 -1.334 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.035 3.303 -1.290 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.732 1.126 -1.499 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.792 2.494 -2.142 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.445 1.862 -0.515 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -4.372 1.415 0.131 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.005 1.922 1.151 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.453 2.950 1.027 1.00 0.00 H new ATOM 486 N ALA A 71 -3.233 6.163 -0.454 1.00 0.00 N ATOM 487 CA ALA A 71 -4.012 7.349 -0.137 1.00 0.00 C ATOM 488 C ALA A 71 -4.740 7.633 -1.399 1.00 0.00 C ATOM 489 O ALA A 71 -4.581 6.920 -2.370 1.00 0.00 O ATOM 490 CB ALA A 71 -3.040 8.465 0.269 1.00 0.00 C ATOM 0 H ALA A 71 -2.625 6.263 -1.267 1.00 0.00 H new ATOM 0 HA ALA A 71 -4.712 7.243 0.692 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -3.602 9.367 0.512 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.467 8.149 1.141 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -2.360 8.673 -0.557 1.00 0.00 H new ATOM 496 N GLY A 72 -5.525 8.658 -1.364 1.00 0.00 N ATOM 497 CA GLY A 72 -6.221 8.927 -2.666 1.00 0.00 C ATOM 498 C GLY A 72 -7.538 8.195 -2.788 1.00 0.00 C ATOM 499 O GLY A 72 -8.291 8.128 -1.841 1.00 0.00 O ATOM 0 H GLY A 72 -5.715 9.279 -0.578 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -6.395 9.998 -2.765 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.569 8.633 -3.489 1.00 0.00 H new ATOM 503 N ARG A 73 -7.767 7.682 -3.974 1.00 0.00 N ATOM 504 CA ARG A 73 -9.007 6.931 -4.266 1.00 0.00 C ATOM 505 C ARG A 73 -8.861 5.926 -5.414 1.00 0.00 C ATOM 506 O ARG A 73 -8.005 6.076 -6.261 1.00 0.00 O ATOM 507 CB ARG A 73 -10.030 7.895 -4.642 1.00 0.00 C ATOM 508 CG ARG A 73 -9.357 8.956 -5.539 1.00 0.00 C ATOM 509 CD ARG A 73 -10.410 9.814 -6.219 1.00 0.00 C ATOM 510 NE ARG A 73 -9.710 10.670 -7.216 1.00 0.00 N ATOM 511 CZ ARG A 73 -9.798 11.967 -7.129 1.00 0.00 C ATOM 512 NH1 ARG A 73 -9.276 12.569 -6.096 1.00 0.00 N ATOM 513 NH2 ARG A 73 -10.404 12.620 -8.081 1.00 0.00 N ATOM 0 H ARG A 73 -7.125 7.760 -4.763 1.00 0.00 H new ATOM 0 HA ARG A 73 -9.262 6.363 -3.372 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -10.844 7.403 -5.174 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -10.463 8.360 -3.756 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -8.698 9.584 -4.940 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -8.736 8.467 -6.290 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -11.158 9.189 -6.707 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -10.936 10.428 -5.488 1.00 0.00 H new ATOM 0 HE ARG A 73 -9.164 10.243 -7.964 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -8.808 12.025 -5.372 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -9.336 13.584 -6.013 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -10.798 12.115 -8.875 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -10.484 13.636 -8.032 1.00 0.00 H new ATOM 527 N MET A 74 -9.673 4.901 -5.392 1.00 0.00 N ATOM 528 CA MET A 74 -9.591 3.906 -6.510 1.00 0.00 C ATOM 529 C MET A 74 -10.701 2.891 -6.761 1.00 0.00 C ATOM 530 O MET A 74 -11.831 3.030 -6.342 1.00 0.00 O ATOM 531 CB MET A 74 -8.394 3.147 -6.423 1.00 0.00 C ATOM 532 CG MET A 74 -7.826 3.297 -7.931 1.00 0.00 C ATOM 533 SD MET A 74 -6.522 2.271 -8.661 1.00 0.00 S ATOM 534 CE MET A 74 -7.128 2.130 -10.362 1.00 0.00 C ATOM 0 H MET A 74 -10.371 4.710 -4.673 1.00 0.00 H new ATOM 0 HA MET A 74 -9.669 4.603 -7.345 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.704 3.548 -5.680 1.00 0.00 H new ATOM 0 HB3 MET A 74 -8.583 2.108 -6.155 1.00 0.00 H new ATOM 0 HG2 MET A 74 -8.690 3.194 -8.587 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.480 4.327 -8.019 1.00 0.00 H new ATOM 0 HE1 MET A 74 -7.278 1.079 -10.609 1.00 0.00 H new ATOM 0 HE2 MET A 74 -8.074 2.664 -10.457 1.00 0.00 H new ATOM 0 HE3 MET A 74 -6.397 2.563 -11.046 1.00 0.00 H new ATOM 544 N MET A 75 -10.264 1.880 -7.470 1.00 0.00 N ATOM 545 CA MET A 75 -11.095 0.729 -7.875 1.00 0.00 C ATOM 546 C MET A 75 -10.439 -0.618 -7.490 1.00 0.00 C ATOM 547 O MET A 75 -10.675 -1.557 -8.221 1.00 0.00 O ATOM 548 CB MET A 75 -11.293 0.750 -9.369 1.00 0.00 C ATOM 549 CG MET A 75 -9.900 0.715 -9.955 1.00 0.00 C ATOM 550 SD MET A 75 -9.606 -0.370 -11.376 1.00 0.00 S ATOM 551 CE MET A 75 -10.091 0.772 -12.695 1.00 0.00 C ATOM 0 H MET A 75 -9.301 1.815 -7.799 1.00 0.00 H new ATOM 0 HA MET A 75 -12.048 0.815 -7.354 1.00 0.00 H new ATOM 0 HB2 MET A 75 -11.881 -0.106 -9.700 1.00 0.00 H new ATOM 0 HB3 MET A 75 -11.829 1.646 -9.682 1.00 0.00 H new ATOM 0 HG2 MET A 75 -9.635 1.731 -10.249 1.00 0.00 H new ATOM 0 HG3 MET A 75 -9.211 0.423 -9.163 1.00 0.00 H new ATOM 0 HE1 MET A 75 -9.978 0.281 -13.661 1.00 0.00 H new ATOM 0 HE2 MET A 75 -11.131 1.066 -12.557 1.00 0.00 H new ATOM 0 HE3 MET A 75 -9.456 1.657 -12.662 1.00 0.00 H new ATOM 561 N THR A 76 -9.689 -0.638 -6.397 1.00 0.00 N ATOM 562 CA THR A 76 -8.942 -1.742 -5.741 1.00 0.00 C ATOM 563 C THR A 76 -9.059 -3.134 -6.316 1.00 0.00 C ATOM 564 O THR A 76 -9.407 -3.340 -7.434 1.00 0.00 O ATOM 565 CB THR A 76 -9.467 -1.623 -4.290 1.00 0.00 C ATOM 566 OG1 THR A 76 -8.989 -2.674 -3.478 1.00 0.00 O ATOM 567 CG2 THR A 76 -10.973 -1.886 -4.267 1.00 0.00 C ATOM 0 H THR A 76 -9.564 0.225 -5.869 1.00 0.00 H new ATOM 0 HA THR A 76 -7.867 -1.623 -5.876 1.00 0.00 H new ATOM 0 HB THR A 76 -9.162 -0.635 -3.945 1.00 0.00 H new ATOM 0 HG1 THR A 76 -9.747 -3.157 -3.088 1.00 0.00 H new ATOM 0 HG21 THR A 76 -11.341 -1.802 -3.245 1.00 0.00 H new ATOM 0 HG22 THR A 76 -11.480 -1.155 -4.897 1.00 0.00 H new ATOM 0 HG23 THR A 76 -11.173 -2.889 -4.643 1.00 0.00 H new ATOM 575 N ARG A 77 -8.652 -4.120 -5.624 1.00 0.00 N ATOM 576 CA ARG A 77 -8.813 -5.466 -6.211 1.00 0.00 C ATOM 577 C ARG A 77 -9.698 -6.610 -5.724 1.00 0.00 C ATOM 578 O ARG A 77 -10.871 -6.639 -6.032 1.00 0.00 O ATOM 579 CB ARG A 77 -7.402 -6.064 -6.588 1.00 0.00 C ATOM 580 CG ARG A 77 -7.056 -5.528 -7.982 1.00 0.00 C ATOM 581 CD ARG A 77 -5.618 -5.933 -8.373 1.00 0.00 C ATOM 582 NE ARG A 77 -5.481 -7.403 -8.634 1.00 0.00 N ATOM 583 CZ ARG A 77 -6.510 -8.208 -8.662 1.00 0.00 C ATOM 584 NH1 ARG A 77 -7.391 -8.088 -9.618 1.00 0.00 N ATOM 585 NH2 ARG A 77 -6.622 -9.116 -7.732 1.00 0.00 N ATOM 0 H ARG A 77 -8.223 -4.073 -4.700 1.00 0.00 H new ATOM 0 HA ARG A 77 -9.497 -5.115 -6.983 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -6.648 -5.765 -5.860 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -7.431 -7.154 -6.588 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -7.762 -5.919 -8.714 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -7.151 -4.442 -7.995 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -5.319 -5.381 -9.264 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -4.934 -5.645 -7.575 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.551 -7.789 -8.796 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -7.272 -7.371 -10.334 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -8.198 -8.711 -9.649 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -5.914 -9.188 -7.001 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -7.418 -9.754 -7.736 1.00 0.00 H new ATOM 599 N ARG A 78 -9.056 -7.484 -4.972 1.00 0.00 N ATOM 600 CA ARG A 78 -9.591 -8.723 -4.319 1.00 0.00 C ATOM 601 C ARG A 78 -8.774 -9.917 -4.812 1.00 0.00 C ATOM 602 O ARG A 78 -8.604 -10.045 -6.008 1.00 0.00 O ATOM 603 CB ARG A 78 -11.082 -9.000 -4.655 1.00 0.00 C ATOM 604 CG ARG A 78 -11.332 -9.444 -6.112 1.00 0.00 C ATOM 605 CD ARG A 78 -12.842 -9.408 -6.349 1.00 0.00 C ATOM 606 NE ARG A 78 -13.104 -9.720 -7.780 1.00 0.00 N ATOM 607 CZ ARG A 78 -13.695 -8.822 -8.520 1.00 0.00 C ATOM 608 NH1 ARG A 78 -12.999 -7.804 -8.946 1.00 0.00 N ATOM 609 NH2 ARG A 78 -14.959 -8.971 -8.809 1.00 0.00 N ATOM 0 H ARG A 78 -8.064 -7.360 -4.769 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.515 -8.576 -3.242 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.457 -9.772 -3.983 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -11.661 -8.098 -4.458 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.818 -8.781 -6.809 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.941 -10.448 -6.280 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -13.343 -10.131 -5.706 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -13.242 -8.426 -6.096 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.827 -10.619 -8.175 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -12.013 -7.722 -8.699 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -13.441 -7.091 -9.526 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -15.471 -9.780 -8.458 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -15.435 -8.278 -9.386 1.00 0.00 H new ATOM 623 N ILE A 79 -8.274 -10.763 -3.938 1.00 0.00 N ATOM 624 CA ILE A 79 -7.497 -11.907 -4.466 1.00 0.00 C ATOM 625 C ILE A 79 -8.285 -13.156 -4.053 1.00 0.00 C ATOM 626 O ILE A 79 -8.494 -14.074 -4.818 1.00 0.00 O ATOM 627 CB ILE A 79 -6.056 -11.912 -3.876 1.00 0.00 C ATOM 628 CG1 ILE A 79 -5.275 -12.924 -4.738 1.00 0.00 C ATOM 629 CG2 ILE A 79 -6.062 -12.434 -2.470 1.00 0.00 C ATOM 630 CD1 ILE A 79 -3.803 -12.976 -4.324 1.00 0.00 C ATOM 0 H ILE A 79 -8.370 -10.708 -2.924 1.00 0.00 H new ATOM 0 HA ILE A 79 -7.375 -11.859 -5.548 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.632 -10.908 -3.875 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.720 -13.914 -4.636 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -5.351 -12.647 -5.789 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.046 -12.429 -2.076 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -6.695 -11.800 -1.849 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -6.450 -13.453 -2.462 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -3.275 -13.697 -4.948 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -3.355 -11.991 -4.450 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -3.729 -13.277 -3.279 1.00 0.00 H new ATOM 642 N MET A 80 -8.691 -13.113 -2.814 1.00 0.00 N ATOM 643 CA MET A 80 -9.479 -14.192 -2.169 1.00 0.00 C ATOM 644 C MET A 80 -10.330 -13.459 -1.161 1.00 0.00 C ATOM 645 O MET A 80 -10.426 -12.248 -1.172 1.00 0.00 O ATOM 646 CB MET A 80 -8.557 -15.192 -1.459 1.00 0.00 C ATOM 647 CG MET A 80 -7.839 -14.557 -0.258 1.00 0.00 C ATOM 648 SD MET A 80 -6.696 -15.614 0.665 1.00 0.00 S ATOM 649 CE MET A 80 -5.209 -15.255 -0.303 1.00 0.00 C ATOM 0 H MET A 80 -8.494 -12.328 -2.194 1.00 0.00 H new ATOM 0 HA MET A 80 -10.064 -14.769 -2.885 1.00 0.00 H new ATOM 0 HB2 MET A 80 -9.141 -16.048 -1.121 1.00 0.00 H new ATOM 0 HB3 MET A 80 -7.818 -15.569 -2.166 1.00 0.00 H new ATOM 0 HG2 MET A 80 -7.285 -13.688 -0.614 1.00 0.00 H new ATOM 0 HG3 MET A 80 -8.596 -14.190 0.435 1.00 0.00 H new ATOM 0 HE1 MET A 80 -4.467 -16.036 -0.134 1.00 0.00 H new ATOM 0 HE2 MET A 80 -5.464 -15.220 -1.362 1.00 0.00 H new ATOM 0 HE3 MET A 80 -4.799 -14.293 0.003 1.00 0.00 H new ATOM 659 N GLY A 81 -10.924 -14.237 -0.315 1.00 0.00 N ATOM 660 CA GLY A 81 -11.784 -13.639 0.735 1.00 0.00 C ATOM 661 C GLY A 81 -10.949 -13.561 2.013 1.00 0.00 C ATOM 662 O GLY A 81 -10.476 -14.575 2.482 1.00 0.00 O ATOM 0 H GLY A 81 -10.855 -15.255 -0.302 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.123 -12.647 0.436 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -12.675 -14.246 0.894 1.00 0.00 H new ATOM 666 N LYS A 82 -10.809 -12.340 2.479 1.00 0.00 N ATOM 667 CA LYS A 82 -10.055 -11.922 3.716 1.00 0.00 C ATOM 668 C LYS A 82 -8.702 -11.307 3.376 1.00 0.00 C ATOM 669 O LYS A 82 -8.220 -10.484 4.126 1.00 0.00 O ATOM 670 CB LYS A 82 -9.827 -13.111 4.680 1.00 0.00 C ATOM 671 CG LYS A 82 -11.180 -13.721 5.175 1.00 0.00 C ATOM 672 CD LYS A 82 -12.110 -12.643 5.771 1.00 0.00 C ATOM 673 CE LYS A 82 -13.137 -12.153 4.733 1.00 0.00 C ATOM 674 NZ LYS A 82 -13.969 -13.292 4.253 1.00 0.00 N ATOM 0 H LYS A 82 -11.229 -11.542 2.003 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.678 -11.174 4.206 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -9.243 -13.881 4.176 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -9.243 -12.778 5.538 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -11.682 -14.215 4.343 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -10.981 -14.485 5.926 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -12.631 -13.049 6.638 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -11.515 -11.800 6.123 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -13.775 -11.388 5.176 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -12.622 -11.690 3.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -14.914 -12.946 3.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -13.517 -13.726 3.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -14.057 -14.000 5.009 1.00 0.00 H new ATOM 688 N ALA A 83 -8.111 -11.730 2.291 1.00 0.00 N ATOM 689 CA ALA A 83 -6.813 -11.187 1.834 1.00 0.00 C ATOM 690 C ALA A 83 -7.166 -10.763 0.404 1.00 0.00 C ATOM 691 O ALA A 83 -8.047 -11.359 -0.182 1.00 0.00 O ATOM 692 CB ALA A 83 -5.874 -12.172 1.752 1.00 0.00 C ATOM 0 H ALA A 83 -8.495 -12.456 1.686 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.413 -10.411 2.487 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.929 -11.747 1.414 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.737 -12.627 2.733 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.204 -12.931 1.043 1.00 0.00 H new ATOM 698 N SER A 84 -6.514 -9.773 -0.130 1.00 0.00 N ATOM 699 CA SER A 84 -6.768 -9.275 -1.493 1.00 0.00 C ATOM 700 C SER A 84 -5.523 -8.555 -1.961 1.00 0.00 C ATOM 701 O SER A 84 -4.598 -8.305 -1.217 1.00 0.00 O ATOM 702 CB SER A 84 -7.876 -8.343 -1.379 1.00 0.00 C ATOM 703 OG SER A 84 -9.041 -9.134 -1.221 1.00 0.00 O ATOM 0 H SER A 84 -5.775 -9.266 0.358 1.00 0.00 H new ATOM 0 HA SER A 84 -7.005 -10.070 -2.200 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.739 -7.677 -0.527 1.00 0.00 H new ATOM 0 HB3 SER A 84 -7.949 -7.714 -2.266 1.00 0.00 H new ATOM 0 HG SER A 84 -8.789 -10.079 -1.165 1.00 0.00 H new ATOM 709 N PHE A 85 -5.564 -8.245 -3.216 1.00 0.00 N ATOM 710 CA PHE A 85 -4.462 -7.515 -3.886 1.00 0.00 C ATOM 711 C PHE A 85 -5.324 -6.307 -4.113 1.00 0.00 C ATOM 712 O PHE A 85 -6.518 -6.492 -4.018 1.00 0.00 O ATOM 713 CB PHE A 85 -4.072 -8.306 -5.137 1.00 0.00 C ATOM 714 CG PHE A 85 -2.840 -9.140 -4.741 1.00 0.00 C ATOM 715 CD1 PHE A 85 -2.738 -9.694 -3.475 1.00 0.00 C ATOM 716 CD2 PHE A 85 -1.805 -9.339 -5.632 1.00 0.00 C ATOM 717 CE1 PHE A 85 -1.640 -10.420 -3.100 1.00 0.00 C ATOM 718 CE2 PHE A 85 -0.695 -10.075 -5.261 1.00 0.00 C ATOM 719 CZ PHE A 85 -0.611 -10.616 -3.994 1.00 0.00 C ATOM 0 H PHE A 85 -6.345 -8.476 -3.830 1.00 0.00 H new ATOM 0 HA PHE A 85 -3.496 -7.329 -3.417 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -4.890 -8.948 -5.464 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -3.841 -7.637 -5.966 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -3.542 -9.550 -2.769 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -1.862 -8.917 -6.625 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -1.581 -10.838 -2.106 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.109 -10.227 -5.965 1.00 0.00 H new ATOM 0 HZ PHE A 85 0.257 -11.190 -3.705 1.00 0.00 H new ATOM 729 N VAL A 86 -4.792 -5.146 -4.381 1.00 0.00 N ATOM 730 CA VAL A 86 -5.668 -3.940 -4.591 1.00 0.00 C ATOM 731 C VAL A 86 -5.227 -2.835 -5.527 1.00 0.00 C ATOM 732 O VAL A 86 -4.061 -2.504 -5.463 1.00 0.00 O ATOM 733 CB VAL A 86 -5.878 -3.434 -3.217 1.00 0.00 C ATOM 734 CG1 VAL A 86 -6.164 -1.968 -3.195 1.00 0.00 C ATOM 735 CG2 VAL A 86 -6.953 -4.274 -2.547 1.00 0.00 C ATOM 0 H VAL A 86 -3.790 -4.972 -4.465 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.553 -4.268 -5.136 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.958 -3.539 -2.642 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -6.311 -1.641 -2.166 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -5.324 -1.427 -3.631 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -7.066 -1.765 -3.773 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.118 -3.912 -1.532 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -7.880 -4.198 -3.115 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -6.632 -5.315 -2.513 1.00 0.00 H new ATOM 745 N THR A 87 -6.083 -2.272 -6.374 1.00 0.00 N ATOM 746 CA THR A 87 -5.438 -1.185 -7.181 1.00 0.00 C ATOM 747 C THR A 87 -5.991 0.184 -6.757 1.00 0.00 C ATOM 748 O THR A 87 -7.198 0.383 -6.685 1.00 0.00 O ATOM 749 CB THR A 87 -5.695 -1.388 -8.658 1.00 0.00 C ATOM 750 OG1 THR A 87 -5.382 -2.752 -8.892 1.00 0.00 O ATOM 751 CG2 THR A 87 -4.543 -0.661 -9.369 1.00 0.00 C ATOM 0 H THR A 87 -7.069 -2.484 -6.526 1.00 0.00 H new ATOM 0 HA THR A 87 -4.364 -1.221 -7.000 1.00 0.00 H new ATOM 0 HB THR A 87 -6.694 -1.078 -8.964 1.00 0.00 H new ATOM 0 HG1 THR A 87 -5.527 -2.963 -9.838 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.659 -0.763 -10.448 1.00 0.00 H new ATOM 0 HG22 THR A 87 -4.559 0.395 -9.101 1.00 0.00 H new ATOM 0 HG23 THR A 87 -3.593 -1.099 -9.063 1.00 0.00 H new ATOM 759 N LEU A 88 -5.040 1.065 -6.485 1.00 0.00 N ATOM 760 CA LEU A 88 -5.340 2.469 -6.053 1.00 0.00 C ATOM 761 C LEU A 88 -4.719 3.546 -6.929 1.00 0.00 C ATOM 762 O LEU A 88 -3.794 3.272 -7.664 1.00 0.00 O ATOM 763 CB LEU A 88 -4.814 2.736 -4.697 1.00 0.00 C ATOM 764 CG LEU A 88 -5.694 2.327 -3.502 1.00 0.00 C ATOM 765 CD1 LEU A 88 -6.522 3.537 -3.098 1.00 0.00 C ATOM 766 CD2 LEU A 88 -6.636 1.186 -3.822 1.00 0.00 C ATOM 0 H LEU A 88 -4.044 0.855 -6.549 1.00 0.00 H new ATOM 0 HA LEU A 88 -6.427 2.523 -6.113 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.856 2.224 -4.601 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.614 3.805 -4.618 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.035 1.987 -2.703 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.157 3.277 -2.251 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -5.858 4.354 -2.816 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.145 3.848 -3.937 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -7.228 0.945 -2.939 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -7.300 1.479 -4.636 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.059 0.311 -4.122 1.00 0.00 H new ATOM 778 N GLN A 89 -5.254 4.740 -6.830 1.00 0.00 N ATOM 779 CA GLN A 89 -4.721 5.851 -7.621 1.00 0.00 C ATOM 780 C GLN A 89 -4.647 7.140 -6.774 1.00 0.00 C ATOM 781 O GLN A 89 -5.192 7.213 -5.688 1.00 0.00 O ATOM 782 CB GLN A 89 -5.618 6.082 -8.823 1.00 0.00 C ATOM 783 CG GLN A 89 -6.564 7.288 -8.750 1.00 0.00 C ATOM 784 CD GLN A 89 -7.145 7.585 -10.139 1.00 0.00 C ATOM 785 OE1 GLN A 89 -7.973 8.460 -10.300 1.00 0.00 O ATOM 786 NE2 GLN A 89 -6.745 6.890 -11.168 1.00 0.00 N ATOM 0 H GLN A 89 -6.042 4.976 -6.226 1.00 0.00 H new ATOM 0 HA GLN A 89 -3.713 5.597 -7.950 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -4.986 6.197 -9.703 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -6.219 5.186 -8.977 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.370 7.086 -8.045 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -6.027 8.160 -8.378 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -6.051 6.153 -11.047 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -7.127 7.084 -12.094 1.00 0.00 H new ATOM 795 N ASP A 90 -3.976 8.117 -7.327 1.00 0.00 N ATOM 796 CA ASP A 90 -3.788 9.448 -6.686 1.00 0.00 C ATOM 797 C ASP A 90 -4.347 10.390 -7.725 1.00 0.00 C ATOM 798 O ASP A 90 -4.810 9.941 -8.753 1.00 0.00 O ATOM 799 CB ASP A 90 -2.322 9.771 -6.495 1.00 0.00 C ATOM 800 CG ASP A 90 -1.546 9.498 -7.783 1.00 0.00 C ATOM 801 OD1 ASP A 90 -1.507 10.394 -8.610 1.00 0.00 O ATOM 802 OD2 ASP A 90 -1.036 8.393 -7.855 1.00 0.00 O ATOM 0 H ASP A 90 -3.531 8.038 -8.241 1.00 0.00 H new ATOM 0 HA ASP A 90 -4.256 9.504 -5.703 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -2.207 10.816 -6.208 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -1.913 9.171 -5.682 1.00 0.00 H new ATOM 807 N VAL A 91 -4.279 11.652 -7.421 1.00 0.00 N ATOM 808 CA VAL A 91 -4.778 12.698 -8.330 1.00 0.00 C ATOM 809 C VAL A 91 -4.766 12.301 -9.819 1.00 0.00 C ATOM 810 O VAL A 91 -5.775 12.436 -10.480 1.00 0.00 O ATOM 811 CB VAL A 91 -3.941 13.921 -8.046 1.00 0.00 C ATOM 812 CG1 VAL A 91 -2.463 13.700 -8.354 1.00 0.00 C ATOM 813 CG2 VAL A 91 -4.573 14.984 -8.886 1.00 0.00 C ATOM 0 H VAL A 91 -3.884 12.006 -6.550 1.00 0.00 H new ATOM 0 HA VAL A 91 -5.836 12.883 -8.141 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.931 14.192 -6.990 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.905 14.610 -8.133 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.082 12.883 -7.742 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.345 13.449 -9.408 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.035 15.922 -8.751 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.533 14.690 -9.935 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.612 15.115 -8.585 1.00 0.00 H new ATOM 823 N GLY A 92 -3.651 11.828 -10.318 1.00 0.00 N ATOM 824 CA GLY A 92 -3.616 11.432 -11.757 1.00 0.00 C ATOM 825 C GLY A 92 -2.719 10.223 -12.082 1.00 0.00 C ATOM 826 O GLY A 92 -2.235 10.132 -13.192 1.00 0.00 O ATOM 0 H GLY A 92 -2.780 11.701 -9.802 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -4.632 11.208 -12.081 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -3.276 12.285 -12.344 1.00 0.00 H new ATOM 830 N GLY A 93 -2.493 9.318 -11.163 1.00 0.00 N ATOM 831 CA GLY A 93 -1.615 8.161 -11.533 1.00 0.00 C ATOM 832 C GLY A 93 -1.939 7.008 -10.600 1.00 0.00 C ATOM 833 O GLY A 93 -2.630 7.233 -9.633 1.00 0.00 O ATOM 0 H GLY A 93 -2.859 9.323 -10.211 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.784 7.871 -12.570 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -0.564 8.437 -11.447 1.00 0.00 H new ATOM 837 N ARG A 94 -1.484 5.809 -10.862 1.00 0.00 N ATOM 838 CA ARG A 94 -1.819 4.721 -9.915 1.00 0.00 C ATOM 839 C ARG A 94 -0.638 3.928 -9.361 1.00 0.00 C ATOM 840 O ARG A 94 0.452 3.926 -9.901 1.00 0.00 O ATOM 841 CB ARG A 94 -2.619 3.708 -10.542 1.00 0.00 C ATOM 842 CG ARG A 94 -4.045 4.011 -10.775 1.00 0.00 C ATOM 843 CD ARG A 94 -4.312 5.045 -11.866 1.00 0.00 C ATOM 844 NE ARG A 94 -3.547 4.659 -13.081 1.00 0.00 N ATOM 845 CZ ARG A 94 -4.199 4.337 -14.165 1.00 0.00 C ATOM 846 NH1 ARG A 94 -4.557 3.094 -14.337 1.00 0.00 N ATOM 847 NH2 ARG A 94 -4.472 5.268 -15.039 1.00 0.00 N ATOM 0 H ARG A 94 -0.913 5.548 -11.666 1.00 0.00 H new ATOM 0 HA ARG A 94 -2.315 5.271 -9.115 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -2.165 3.468 -11.503 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -2.562 2.808 -9.930 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -4.560 3.087 -11.037 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -4.483 4.367 -9.842 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -5.378 5.093 -12.089 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -4.012 6.037 -11.529 1.00 0.00 H new ATOM 0 HE ARG A 94 -2.527 4.646 -13.068 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -4.327 2.395 -13.631 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -5.067 2.822 -15.177 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -4.177 6.229 -14.869 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -4.981 5.034 -15.892 1.00 0.00 H new ATOM 861 N ILE A 95 -0.941 3.274 -8.270 1.00 0.00 N ATOM 862 CA ILE A 95 0.049 2.414 -7.570 1.00 0.00 C ATOM 863 C ILE A 95 -0.738 1.104 -7.320 1.00 0.00 C ATOM 864 O ILE A 95 -1.953 1.145 -7.216 1.00 0.00 O ATOM 865 CB ILE A 95 0.493 3.130 -6.247 1.00 0.00 C ATOM 866 CG1 ILE A 95 -0.325 2.752 -4.989 1.00 0.00 C ATOM 867 CG2 ILE A 95 0.342 4.639 -6.503 1.00 0.00 C ATOM 868 CD1 ILE A 95 -1.704 3.396 -4.982 1.00 0.00 C ATOM 0 H ILE A 95 -1.859 3.304 -7.827 1.00 0.00 H new ATOM 0 HA ILE A 95 0.969 2.219 -8.121 1.00 0.00 H new ATOM 0 HB ILE A 95 1.513 2.816 -6.026 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -0.432 1.668 -4.940 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.221 3.059 -4.097 1.00 0.00 H new ATOM 0 HG21 ILE A 95 0.639 5.191 -5.611 1.00 0.00 H new ATOM 0 HG22 ILE A 95 0.978 4.932 -7.339 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.697 4.865 -6.741 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -2.239 3.100 -4.080 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -1.599 4.481 -5.003 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.263 3.069 -5.859 1.00 0.00 H new ATOM 880 N GLN A 96 -0.075 -0.024 -7.222 1.00 0.00 N ATOM 881 CA GLN A 96 -0.852 -1.276 -6.982 1.00 0.00 C ATOM 882 C GLN A 96 -0.400 -1.803 -5.626 1.00 0.00 C ATOM 883 O GLN A 96 0.663 -1.456 -5.144 1.00 0.00 O ATOM 884 CB GLN A 96 -0.533 -2.319 -8.043 1.00 0.00 C ATOM 885 CG GLN A 96 0.854 -2.836 -7.760 1.00 0.00 C ATOM 886 CD GLN A 96 1.306 -3.749 -8.898 1.00 0.00 C ATOM 887 OE1 GLN A 96 1.394 -3.343 -10.039 1.00 0.00 O ATOM 888 NE2 GLN A 96 1.599 -4.990 -8.629 1.00 0.00 N ATOM 0 H GLN A 96 0.937 -0.130 -7.295 1.00 0.00 H new ATOM 0 HA GLN A 96 -1.923 -1.075 -7.015 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -1.259 -3.131 -8.014 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -0.584 -1.881 -9.040 1.00 0.00 H new ATOM 0 HG2 GLN A 96 1.548 -2.003 -7.652 1.00 0.00 H new ATOM 0 HG3 GLN A 96 0.863 -3.383 -6.817 1.00 0.00 H new ATOM 0 HE21 GLN A 96 1.526 -5.335 -7.672 1.00 0.00 H new ATOM 0 HE22 GLN A 96 1.901 -5.616 -9.376 1.00 0.00 H new ATOM 897 N LEU A 97 -1.219 -2.625 -5.038 1.00 0.00 N ATOM 898 CA LEU A 97 -0.817 -3.164 -3.727 1.00 0.00 C ATOM 899 C LEU A 97 -1.240 -4.594 -3.479 1.00 0.00 C ATOM 900 O LEU A 97 -1.848 -5.269 -4.285 1.00 0.00 O ATOM 901 CB LEU A 97 -1.359 -2.274 -2.581 1.00 0.00 C ATOM 902 CG LEU A 97 -2.780 -1.848 -2.755 1.00 0.00 C ATOM 903 CD1 LEU A 97 -3.340 -1.513 -1.375 1.00 0.00 C ATOM 904 CD2 LEU A 97 -2.762 -0.571 -3.587 1.00 0.00 C ATOM 0 H LEU A 97 -2.121 -2.936 -5.399 1.00 0.00 H new ATOM 0 HA LEU A 97 0.273 -3.157 -3.744 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -1.267 -2.817 -1.640 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.733 -1.386 -2.499 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.379 -2.624 -3.232 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -4.379 -1.198 -1.471 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.286 -2.395 -0.736 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.756 -0.707 -0.931 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.783 -0.222 -3.740 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.191 0.196 -3.064 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.299 -0.773 -4.553 1.00 0.00 H new ATOM 916 N TYR A 98 -0.848 -4.962 -2.305 1.00 0.00 N ATOM 917 CA TYR A 98 -1.071 -6.304 -1.728 1.00 0.00 C ATOM 918 C TYR A 98 -1.640 -6.202 -0.295 1.00 0.00 C ATOM 919 O TYR A 98 -0.914 -5.972 0.646 1.00 0.00 O ATOM 920 CB TYR A 98 0.306 -6.875 -1.892 1.00 0.00 C ATOM 921 CG TYR A 98 0.598 -8.212 -1.281 1.00 0.00 C ATOM 922 CD1 TYR A 98 -0.335 -9.161 -0.949 1.00 0.00 C ATOM 923 CD2 TYR A 98 1.932 -8.470 -1.113 1.00 0.00 C ATOM 924 CE1 TYR A 98 0.079 -10.367 -0.460 1.00 0.00 C ATOM 925 CE2 TYR A 98 2.358 -9.675 -0.625 1.00 0.00 C ATOM 926 CZ TYR A 98 1.427 -10.644 -0.289 1.00 0.00 C ATOM 927 OH TYR A 98 1.840 -11.864 0.206 1.00 0.00 O ATOM 0 H TYR A 98 -0.344 -4.337 -1.676 1.00 0.00 H new ATOM 0 HA TYR A 98 -1.825 -6.943 -2.188 1.00 0.00 H new ATOM 0 HB2 TYR A 98 0.512 -6.946 -2.960 1.00 0.00 H new ATOM 0 HB3 TYR A 98 1.015 -6.158 -1.478 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -1.388 -8.956 -1.073 1.00 0.00 H new ATOM 0 HD2 TYR A 98 2.658 -7.712 -1.369 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -0.655 -11.117 -0.202 1.00 0.00 H new ATOM 0 HE2 TYR A 98 3.413 -9.869 -0.503 1.00 0.00 H new ATOM 0 HH TYR A 98 2.818 -11.882 0.257 1.00 0.00 H new ATOM 937 N VAL A 99 -2.927 -6.388 -0.174 1.00 0.00 N ATOM 938 CA VAL A 99 -3.662 -6.322 1.107 1.00 0.00 C ATOM 939 C VAL A 99 -3.679 -7.730 1.646 1.00 0.00 C ATOM 940 O VAL A 99 -4.615 -8.441 1.374 1.00 0.00 O ATOM 941 CB VAL A 99 -5.043 -5.866 0.806 1.00 0.00 C ATOM 942 CG1 VAL A 99 -5.626 -5.605 2.102 1.00 0.00 C ATOM 943 CG2 VAL A 99 -5.017 -4.635 0.002 1.00 0.00 C ATOM 0 H VAL A 99 -3.529 -6.596 -0.971 1.00 0.00 H new ATOM 0 HA VAL A 99 -3.212 -5.641 1.829 1.00 0.00 H new ATOM 0 HB VAL A 99 -5.607 -6.602 0.233 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -6.653 -5.261 1.977 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.619 -6.520 2.695 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.046 -4.837 2.614 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.038 -4.316 -0.209 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -4.499 -3.851 0.554 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -4.495 -4.824 -0.936 1.00 0.00 H new ATOM 953 N ALA A 100 -2.707 -8.146 2.397 1.00 0.00 N ATOM 954 CA ALA A 100 -2.815 -9.562 2.856 1.00 0.00 C ATOM 955 C ALA A 100 -2.788 -9.802 4.370 1.00 0.00 C ATOM 956 O ALA A 100 -1.816 -9.493 5.031 1.00 0.00 O ATOM 957 CB ALA A 100 -1.686 -10.179 2.103 1.00 0.00 C ATOM 0 H ALA A 100 -1.891 -7.615 2.701 1.00 0.00 H new ATOM 0 HA ALA A 100 -3.793 -9.999 2.654 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -1.631 -11.242 2.337 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -1.849 -10.051 1.033 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -0.751 -9.696 2.388 1.00 0.00 H new ATOM 963 N ARG A 101 -3.867 -10.349 4.877 1.00 0.00 N ATOM 964 CA ARG A 101 -3.945 -10.626 6.333 1.00 0.00 C ATOM 965 C ARG A 101 -4.897 -11.786 6.642 1.00 0.00 C ATOM 966 O ARG A 101 -5.954 -11.605 7.213 1.00 0.00 O ATOM 967 CB ARG A 101 -4.392 -9.349 7.032 1.00 0.00 C ATOM 968 CG ARG A 101 -5.698 -8.818 6.433 1.00 0.00 C ATOM 969 CD ARG A 101 -5.874 -7.414 6.995 1.00 0.00 C ATOM 970 NE ARG A 101 -5.706 -7.486 8.473 1.00 0.00 N ATOM 971 CZ ARG A 101 -4.705 -6.868 9.038 1.00 0.00 C ATOM 972 NH1 ARG A 101 -4.497 -5.611 8.759 1.00 0.00 N ATOM 973 NH2 ARG A 101 -3.942 -7.531 9.862 1.00 0.00 N ATOM 0 H ARG A 101 -4.693 -10.613 4.340 1.00 0.00 H new ATOM 0 HA ARG A 101 -2.964 -10.931 6.697 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -4.529 -9.542 8.096 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -3.614 -8.591 6.943 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -5.649 -8.800 5.344 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -6.540 -9.456 6.704 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -5.140 -6.735 6.561 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -6.859 -7.023 6.742 1.00 0.00 H new ATOM 0 HE ARG A 101 -6.369 -8.015 9.040 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -5.113 -5.125 8.107 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -3.719 -5.114 9.193 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -4.133 -8.514 10.055 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -3.154 -7.066 10.314 1.00 0.00 H new ATOM 987 N ASP A 102 -4.498 -12.968 6.262 1.00 0.00 N ATOM 988 CA ASP A 102 -5.358 -14.155 6.523 1.00 0.00 C ATOM 989 C ASP A 102 -5.012 -14.707 7.909 1.00 0.00 C ATOM 990 O ASP A 102 -5.055 -15.892 8.170 1.00 0.00 O ATOM 991 CB ASP A 102 -5.071 -15.194 5.463 1.00 0.00 C ATOM 992 CG ASP A 102 -5.543 -14.703 4.096 1.00 0.00 C ATOM 993 OD1 ASP A 102 -6.714 -14.367 4.007 1.00 0.00 O ATOM 994 OD2 ASP A 102 -4.695 -14.697 3.219 1.00 0.00 O ATOM 0 H ASP A 102 -3.618 -13.163 5.784 1.00 0.00 H new ATOM 0 HA ASP A 102 -6.415 -13.889 6.493 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -4.002 -15.405 5.432 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -5.573 -16.128 5.715 1.00 0.00 H new ATOM 999 N ASP A 103 -4.675 -13.773 8.753 1.00 0.00 N ATOM 1000 CA ASP A 103 -4.303 -14.053 10.162 1.00 0.00 C ATOM 1001 C ASP A 103 -5.319 -13.315 11.022 1.00 0.00 C ATOM 1002 O ASP A 103 -5.849 -13.831 11.987 1.00 0.00 O ATOM 1003 CB ASP A 103 -2.952 -13.550 10.381 1.00 0.00 C ATOM 1004 CG ASP A 103 -2.636 -13.467 11.873 1.00 0.00 C ATOM 1005 OD1 ASP A 103 -2.769 -14.496 12.515 1.00 0.00 O ATOM 1006 OD2 ASP A 103 -2.279 -12.374 12.280 1.00 0.00 O ATOM 0 H ASP A 103 -4.642 -12.783 8.508 1.00 0.00 H new ATOM 0 HA ASP A 103 -4.312 -15.115 10.406 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -2.232 -14.204 9.889 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -2.849 -12.564 9.928 1.00 0.00 H new ATOM 1011 N LEU A 104 -5.535 -12.096 10.608 1.00 0.00 N ATOM 1012 CA LEU A 104 -6.488 -11.169 11.267 1.00 0.00 C ATOM 1013 C LEU A 104 -7.458 -10.713 10.169 1.00 0.00 C ATOM 1014 O LEU A 104 -7.428 -9.571 9.760 1.00 0.00 O ATOM 1015 CB LEU A 104 -5.685 -10.021 11.812 1.00 0.00 C ATOM 1016 CG LEU A 104 -4.939 -10.460 13.077 1.00 0.00 C ATOM 1017 CD1 LEU A 104 -3.898 -9.393 13.417 1.00 0.00 C ATOM 1018 CD2 LEU A 104 -5.927 -10.532 14.251 1.00 0.00 C ATOM 0 H LEU A 104 -5.063 -11.691 9.799 1.00 0.00 H new ATOM 0 HA LEU A 104 -7.048 -11.618 12.087 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -4.974 -9.675 11.062 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -6.342 -9.182 12.040 1.00 0.00 H new ATOM 0 HG LEU A 104 -4.474 -11.431 12.910 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -3.356 -9.687 14.316 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.198 -9.290 12.588 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -4.397 -8.440 13.590 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.399 -10.844 15.152 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.372 -9.550 14.413 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -6.712 -11.253 14.022 1.00 0.00 H new ATOM 1030 N PRO A 105 -8.287 -11.624 9.723 1.00 0.00 N ATOM 1031 CA PRO A 105 -9.009 -11.536 8.427 1.00 0.00 C ATOM 1032 C PRO A 105 -10.253 -10.644 8.480 1.00 0.00 C ATOM 1033 O PRO A 105 -11.375 -11.072 8.305 1.00 0.00 O ATOM 1034 CB PRO A 105 -9.313 -12.980 8.127 1.00 0.00 C ATOM 1035 CG PRO A 105 -9.699 -13.499 9.530 1.00 0.00 C ATOM 1036 CD PRO A 105 -8.620 -12.883 10.439 1.00 0.00 C ATOM 0 HA PRO A 105 -8.424 -11.054 7.644 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -10.126 -13.090 7.409 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -8.451 -13.506 7.716 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -10.700 -13.177 9.817 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -9.689 -14.588 9.574 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -8.995 -12.692 11.445 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -7.753 -13.535 10.541 1.00 0.00 H new ATOM 1044 N GLU A 106 -9.983 -9.404 8.734 1.00 0.00 N ATOM 1045 CA GLU A 106 -10.900 -8.331 8.848 1.00 0.00 C ATOM 1046 C GLU A 106 -11.373 -7.775 7.503 1.00 0.00 C ATOM 1047 O GLU A 106 -11.212 -8.364 6.453 1.00 0.00 O ATOM 1048 CB GLU A 106 -10.084 -7.463 9.662 1.00 0.00 C ATOM 1049 CG GLU A 106 -9.141 -6.671 8.770 1.00 0.00 C ATOM 1050 CD GLU A 106 -8.110 -5.931 9.625 1.00 0.00 C ATOM 1051 OE1 GLU A 106 -8.186 -6.068 10.834 1.00 0.00 O ATOM 1052 OE2 GLU A 106 -7.295 -5.263 9.008 1.00 0.00 O ATOM 0 H GLU A 106 -9.022 -9.095 8.879 1.00 0.00 H new ATOM 0 HA GLU A 106 -11.877 -8.555 9.275 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -10.716 -6.784 10.235 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -9.514 -8.051 10.381 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -8.635 -7.342 8.075 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -9.707 -5.958 8.170 1.00 0.00 H new ATOM 1059 N GLY A 107 -11.952 -6.621 7.646 1.00 0.00 N ATOM 1060 CA GLY A 107 -12.512 -5.845 6.495 1.00 0.00 C ATOM 1061 C GLY A 107 -11.819 -4.497 6.453 1.00 0.00 C ATOM 1062 O GLY A 107 -11.850 -3.825 5.445 1.00 0.00 O ATOM 0 H GLY A 107 -12.067 -6.160 8.549 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -12.354 -6.383 5.560 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -13.588 -5.716 6.611 1.00 0.00 H new ATOM 1066 N VAL A 108 -11.220 -4.128 7.561 1.00 0.00 N ATOM 1067 CA VAL A 108 -10.471 -2.854 7.706 1.00 0.00 C ATOM 1068 C VAL A 108 -9.545 -2.666 6.505 1.00 0.00 C ATOM 1069 O VAL A 108 -9.044 -1.609 6.199 1.00 0.00 O ATOM 1070 CB VAL A 108 -9.699 -2.944 8.940 1.00 0.00 C ATOM 1071 CG1 VAL A 108 -8.809 -1.716 9.128 1.00 0.00 C ATOM 1072 CG2 VAL A 108 -10.721 -2.986 10.048 1.00 0.00 C ATOM 0 H VAL A 108 -11.226 -4.694 8.409 1.00 0.00 H new ATOM 0 HA VAL A 108 -11.147 -2.000 7.746 1.00 0.00 H new ATOM 0 HB VAL A 108 -9.047 -3.818 8.928 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -8.246 -1.813 10.057 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -8.116 -1.637 8.290 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -9.429 -0.821 9.171 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -10.212 -3.054 11.010 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -11.325 -2.079 10.020 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -11.365 -3.855 9.916 1.00 0.00 H new ATOM 1082 N TYR A 109 -9.375 -3.805 5.922 1.00 0.00 N ATOM 1083 CA TYR A 109 -8.596 -4.144 4.721 1.00 0.00 C ATOM 1084 C TYR A 109 -9.337 -3.896 3.407 1.00 0.00 C ATOM 1085 O TYR A 109 -9.995 -2.909 3.263 1.00 0.00 O ATOM 1086 CB TYR A 109 -8.221 -5.619 5.075 1.00 0.00 C ATOM 1087 CG TYR A 109 -8.659 -6.712 4.087 1.00 0.00 C ATOM 1088 CD1 TYR A 109 -10.002 -7.003 3.776 1.00 0.00 C ATOM 1089 CD2 TYR A 109 -7.676 -7.413 3.465 1.00 0.00 C ATOM 1090 CE1 TYR A 109 -10.286 -7.987 2.857 1.00 0.00 C ATOM 1091 CE2 TYR A 109 -7.954 -8.381 2.539 1.00 0.00 C ATOM 1092 CZ TYR A 109 -9.273 -8.677 2.230 1.00 0.00 C ATOM 1093 OH TYR A 109 -9.612 -9.645 1.311 1.00 0.00 O ATOM 0 H TYR A 109 -9.823 -4.638 6.303 1.00 0.00 H new ATOM 0 HA TYR A 109 -7.724 -3.523 4.514 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -7.138 -5.676 5.183 1.00 0.00 H new ATOM 0 HB3 TYR A 109 -8.651 -5.852 6.049 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -10.802 -6.458 4.255 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -6.645 -7.200 3.708 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -11.315 -8.221 2.625 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -7.150 -8.912 2.051 1.00 0.00 H new ATOM 0 HH TYR A 109 -9.613 -9.256 0.411 1.00 0.00 H new ATOM 1103 N ASN A 110 -9.209 -4.750 2.452 1.00 0.00 N ATOM 1104 CA ASN A 110 -9.872 -4.655 1.138 1.00 0.00 C ATOM 1105 C ASN A 110 -11.295 -4.127 1.250 1.00 0.00 C ATOM 1106 O ASN A 110 -11.842 -3.648 0.277 1.00 0.00 O ATOM 1107 CB ASN A 110 -9.873 -6.033 0.487 1.00 0.00 C ATOM 1108 CG ASN A 110 -10.135 -5.911 -1.017 1.00 0.00 C ATOM 1109 OD1 ASN A 110 -9.700 -4.983 -1.668 1.00 0.00 O ATOM 1110 ND2 ASN A 110 -10.837 -6.838 -1.607 1.00 0.00 N ATOM 0 H ASN A 110 -8.621 -5.579 2.539 1.00 0.00 H new ATOM 0 HA ASN A 110 -9.317 -3.945 0.525 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -8.915 -6.524 0.657 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -10.638 -6.659 0.947 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -11.018 -6.781 -2.609 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -11.206 -7.620 -1.066 1.00 0.00 H new ATOM 1117 N GLU A 111 -11.891 -4.207 2.415 1.00 0.00 N ATOM 1118 CA GLU A 111 -13.229 -3.758 2.517 1.00 0.00 C ATOM 1119 C GLU A 111 -13.396 -2.306 2.771 1.00 0.00 C ATOM 1120 O GLU A 111 -14.323 -1.649 2.346 1.00 0.00 O ATOM 1121 CB GLU A 111 -13.810 -4.551 3.551 1.00 0.00 C ATOM 1122 CG GLU A 111 -14.961 -4.923 2.784 1.00 0.00 C ATOM 1123 CD GLU A 111 -16.078 -5.476 3.661 1.00 0.00 C ATOM 1124 OE1 GLU A 111 -16.509 -4.722 4.517 1.00 0.00 O ATOM 1125 OE2 GLU A 111 -16.431 -6.617 3.420 1.00 0.00 O ATOM 0 H GLU A 111 -11.474 -4.569 3.273 1.00 0.00 H new ATOM 0 HA GLU A 111 -13.726 -3.881 1.555 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -13.193 -5.397 3.855 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -14.047 -3.989 4.454 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -15.327 -4.055 2.235 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -14.677 -5.671 2.044 1.00 0.00 H new ATOM 1132 N GLN A 112 -12.452 -1.882 3.519 1.00 0.00 N ATOM 1133 CA GLN A 112 -12.327 -0.513 3.926 1.00 0.00 C ATOM 1134 C GLN A 112 -12.283 0.019 2.509 1.00 0.00 C ATOM 1135 O GLN A 112 -13.049 0.858 2.100 1.00 0.00 O ATOM 1136 CB GLN A 112 -11.135 -0.714 4.632 1.00 0.00 C ATOM 1137 CG GLN A 112 -10.520 0.467 5.018 1.00 0.00 C ATOM 1138 CD GLN A 112 -10.979 0.957 6.397 1.00 0.00 C ATOM 1139 OE1 GLN A 112 -12.151 1.041 6.705 1.00 0.00 O ATOM 1140 NE2 GLN A 112 -10.059 1.289 7.261 1.00 0.00 N ATOM 0 H GLN A 112 -11.715 -2.486 3.883 1.00 0.00 H new ATOM 0 HA GLN A 112 -12.990 0.112 4.524 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -11.343 -1.314 5.518 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -10.446 -1.288 4.012 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -9.440 0.321 5.031 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -10.728 1.238 4.276 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -9.073 1.221 7.008 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -10.326 1.617 8.189 1.00 0.00 H new ATOM 1149 N PHE A 113 -11.345 -0.498 1.776 1.00 0.00 N ATOM 1150 CA PHE A 113 -11.173 -0.098 0.364 1.00 0.00 C ATOM 1151 C PHE A 113 -12.471 -0.161 -0.378 1.00 0.00 C ATOM 1152 O PHE A 113 -12.727 0.652 -1.244 1.00 0.00 O ATOM 1153 CB PHE A 113 -10.280 -0.994 -0.267 1.00 0.00 C ATOM 1154 CG PHE A 113 -8.812 -0.666 0.036 1.00 0.00 C ATOM 1155 CD1 PHE A 113 -8.315 0.581 0.434 1.00 0.00 C ATOM 1156 CD2 PHE A 113 -7.936 -1.701 -0.125 1.00 0.00 C ATOM 1157 CE1 PHE A 113 -6.963 0.736 0.660 1.00 0.00 C ATOM 1158 CE2 PHE A 113 -6.602 -1.537 0.094 1.00 0.00 C ATOM 1159 CZ PHE A 113 -6.108 -0.328 0.489 1.00 0.00 C ATOM 0 H PHE A 113 -10.678 -1.195 2.106 1.00 0.00 H new ATOM 0 HA PHE A 113 -10.793 0.924 0.350 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -10.498 -2.011 0.061 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -10.441 -0.965 -1.345 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -8.986 1.417 0.563 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -8.308 -2.667 -0.432 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -6.575 1.694 0.972 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -5.930 -2.371 -0.046 1.00 0.00 H new ATOM 0 HZ PHE A 113 -5.050 -0.207 0.667 1.00 0.00 H new ATOM 1169 N LYS A 114 -13.255 -1.140 -0.013 1.00 0.00 N ATOM 1170 CA LYS A 114 -14.551 -1.214 -0.765 1.00 0.00 C ATOM 1171 C LYS A 114 -15.299 0.079 -0.522 1.00 0.00 C ATOM 1172 O LYS A 114 -16.031 0.568 -1.359 1.00 0.00 O ATOM 1173 CB LYS A 114 -15.468 -2.387 -0.319 1.00 0.00 C ATOM 1174 CG LYS A 114 -14.914 -3.689 -0.901 1.00 0.00 C ATOM 1175 CD LYS A 114 -15.876 -4.837 -0.591 1.00 0.00 C ATOM 1176 CE LYS A 114 -15.236 -6.135 -1.081 1.00 0.00 C ATOM 1177 NZ LYS A 114 -16.131 -7.285 -0.776 1.00 0.00 N ATOM 0 H LYS A 114 -13.083 -1.839 0.709 1.00 0.00 H new ATOM 0 HA LYS A 114 -14.307 -1.379 -1.815 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -15.506 -2.445 0.769 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -16.488 -2.222 -0.665 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -14.783 -3.591 -1.979 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -13.932 -3.900 -0.478 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -16.073 -4.890 0.480 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -16.834 -4.675 -1.084 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -15.054 -6.079 -2.154 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -14.268 -6.278 -0.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -15.691 -8.166 -1.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -16.283 -7.343 0.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -17.045 -7.150 -1.254 1.00 0.00 H new ATOM 1191 N LYS A 115 -15.080 0.594 0.649 1.00 0.00 N ATOM 1192 CA LYS A 115 -15.674 1.797 1.119 1.00 0.00 C ATOM 1193 C LYS A 115 -15.078 3.075 0.544 1.00 0.00 C ATOM 1194 O LYS A 115 -15.811 4.029 0.380 1.00 0.00 O ATOM 1195 CB LYS A 115 -15.539 1.722 2.599 1.00 0.00 C ATOM 1196 CG LYS A 115 -16.860 2.017 3.170 1.00 0.00 C ATOM 1197 CD LYS A 115 -16.756 2.056 4.697 1.00 0.00 C ATOM 1198 CE LYS A 115 -18.144 2.333 5.279 1.00 0.00 C ATOM 1199 NZ LYS A 115 -19.083 1.244 4.890 1.00 0.00 N ATOM 0 H LYS A 115 -14.454 0.164 1.329 1.00 0.00 H new ATOM 0 HA LYS A 115 -16.711 1.863 0.789 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -15.200 0.732 2.905 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -14.797 2.437 2.955 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -17.226 2.973 2.795 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -17.579 1.258 2.863 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -16.371 1.108 5.073 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -16.055 2.831 5.008 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -18.085 2.404 6.365 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -18.515 3.292 4.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -19.872 1.208 5.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -19.453 1.429 3.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -18.580 0.334 4.896 1.00 0.00 H new ATOM 1213 N TRP A 116 -13.804 3.142 0.232 1.00 0.00 N ATOM 1214 CA TRP A 116 -13.440 4.492 -0.283 1.00 0.00 C ATOM 1215 C TRP A 116 -13.769 4.993 -1.663 1.00 0.00 C ATOM 1216 O TRP A 116 -13.509 4.452 -2.719 1.00 0.00 O ATOM 1217 CB TRP A 116 -12.034 4.765 -0.192 1.00 0.00 C ATOM 1218 CG TRP A 116 -11.864 4.136 1.096 1.00 0.00 C ATOM 1219 CD1 TRP A 116 -11.227 3.031 0.988 1.00 0.00 C ATOM 1220 CD2 TRP A 116 -12.376 4.282 2.304 1.00 0.00 C ATOM 1221 NE1 TRP A 116 -11.371 2.468 2.140 1.00 0.00 N ATOM 1222 CE2 TRP A 116 -12.080 3.161 2.997 1.00 0.00 C ATOM 1223 CE3 TRP A 116 -13.085 5.282 2.855 1.00 0.00 C ATOM 1224 CZ2 TRP A 116 -12.513 2.947 4.243 1.00 0.00 C ATOM 1225 CZ3 TRP A 116 -13.547 5.118 4.159 1.00 0.00 C ATOM 1226 CH2 TRP A 116 -13.263 3.939 4.856 1.00 0.00 C ATOM 0 H TRP A 116 -13.084 2.422 0.298 1.00 0.00 H new ATOM 0 HA TRP A 116 -14.127 5.001 0.393 1.00 0.00 H new ATOM 0 HB2 TRP A 116 -11.446 4.303 -0.985 1.00 0.00 H new ATOM 0 HB3 TRP A 116 -11.794 5.828 -0.195 1.00 0.00 H new ATOM 0 HD1 TRP A 116 -10.691 2.656 0.129 1.00 0.00 H new ATOM 0 HE1 TRP A 116 -10.967 1.559 2.365 1.00 0.00 H new ATOM 0 HE3 TRP A 116 -13.291 6.187 2.303 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 -12.285 2.026 4.759 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 -14.123 5.900 4.631 1.00 0.00 H new ATOM 0 HH2 TRP A 116 -13.625 3.802 5.864 1.00 0.00 H new ATOM 1237 N ASP A 117 -14.378 6.103 -1.437 1.00 0.00 N ATOM 1238 CA ASP A 117 -14.942 7.047 -2.410 1.00 0.00 C ATOM 1239 C ASP A 117 -14.195 8.330 -2.479 1.00 0.00 C ATOM 1240 O ASP A 117 -13.064 8.534 -2.086 1.00 0.00 O ATOM 1241 CB ASP A 117 -16.351 7.380 -2.029 1.00 0.00 C ATOM 1242 CG ASP A 117 -16.446 8.155 -0.699 1.00 0.00 C ATOM 1243 OD1 ASP A 117 -15.503 8.097 0.072 1.00 0.00 O ATOM 1244 OD2 ASP A 117 -17.484 8.770 -0.528 1.00 0.00 O ATOM 0 H ASP A 117 -14.522 6.429 -0.481 1.00 0.00 H new ATOM 0 HA ASP A 117 -14.881 6.554 -3.380 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -16.806 7.973 -2.822 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -16.928 6.459 -1.949 1.00 0.00 H new ATOM 1249 N LEU A 118 -15.026 9.145 -3.037 1.00 0.00 N ATOM 1250 CA LEU A 118 -14.742 10.539 -3.300 1.00 0.00 C ATOM 1251 C LEU A 118 -15.258 11.456 -2.232 1.00 0.00 C ATOM 1252 O LEU A 118 -16.223 11.227 -1.529 1.00 0.00 O ATOM 1253 CB LEU A 118 -15.376 10.935 -4.491 1.00 0.00 C ATOM 1254 CG LEU A 118 -15.104 10.003 -5.653 1.00 0.00 C ATOM 1255 CD1 LEU A 118 -13.666 9.606 -5.568 1.00 0.00 C ATOM 1256 CD2 LEU A 118 -16.018 8.764 -5.731 1.00 0.00 C ATOM 0 H LEU A 118 -15.958 8.861 -3.338 1.00 0.00 H new ATOM 0 HA LEU A 118 -13.656 10.616 -3.352 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -16.451 10.989 -4.321 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -15.044 11.939 -4.754 1.00 0.00 H new ATOM 0 HG LEU A 118 -15.330 10.543 -6.573 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -13.426 8.931 -6.390 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -13.039 10.495 -5.633 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -13.483 9.101 -4.619 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -15.742 8.162 -6.597 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -15.903 8.170 -4.825 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -17.056 9.083 -5.827 1.00 0.00 H new ATOM 1268 N GLY A 119 -14.497 12.498 -2.207 1.00 0.00 N ATOM 1269 CA GLY A 119 -14.732 13.620 -1.262 1.00 0.00 C ATOM 1270 C GLY A 119 -13.734 13.417 -0.148 1.00 0.00 C ATOM 1271 O GLY A 119 -13.239 14.331 0.472 1.00 0.00 O ATOM 0 H GLY A 119 -13.693 12.628 -2.821 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -14.586 14.583 -1.751 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -15.754 13.607 -0.882 1.00 0.00 H new ATOM 1275 N ASP A 120 -13.513 12.151 0.041 1.00 0.00 N ATOM 1276 CA ASP A 120 -12.659 11.539 0.981 1.00 0.00 C ATOM 1277 C ASP A 120 -11.243 11.264 0.480 1.00 0.00 C ATOM 1278 O ASP A 120 -11.003 11.336 -0.709 1.00 0.00 O ATOM 1279 CB ASP A 120 -13.477 10.412 1.249 1.00 0.00 C ATOM 1280 CG ASP A 120 -14.780 10.875 1.906 1.00 0.00 C ATOM 1281 OD1 ASP A 120 -14.684 11.387 3.010 1.00 0.00 O ATOM 1282 OD2 ASP A 120 -15.799 10.692 1.260 1.00 0.00 O ATOM 0 H ASP A 120 -13.988 11.454 -0.532 1.00 0.00 H new ATOM 0 HA ASP A 120 -12.382 12.126 1.856 1.00 0.00 H new ATOM 0 HB2 ASP A 120 -13.693 9.877 0.324 1.00 0.00 H new ATOM 0 HB3 ASP A 120 -12.953 9.716 1.905 1.00 0.00 H new ATOM 1287 N ILE A 121 -10.337 10.956 1.378 1.00 0.00 N ATOM 1288 CA ILE A 121 -8.951 10.678 0.930 1.00 0.00 C ATOM 1289 C ILE A 121 -8.418 9.582 1.793 1.00 0.00 C ATOM 1290 O ILE A 121 -8.686 9.522 2.980 1.00 0.00 O ATOM 1291 CB ILE A 121 -8.080 11.898 1.107 1.00 0.00 C ATOM 1292 CG1 ILE A 121 -8.398 12.977 0.079 1.00 0.00 C ATOM 1293 CG2 ILE A 121 -6.583 11.556 1.077 1.00 0.00 C ATOM 1294 CD1 ILE A 121 -8.094 12.521 -1.360 1.00 0.00 C ATOM 0 H ILE A 121 -10.500 10.888 2.383 1.00 0.00 H new ATOM 0 HA ILE A 121 -8.950 10.401 -0.124 1.00 0.00 H new ATOM 0 HB ILE A 121 -8.311 12.292 2.097 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -9.450 13.251 0.156 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -7.818 13.872 0.304 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -5.999 12.467 1.208 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -6.353 10.858 1.882 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -6.333 11.100 0.119 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -8.337 13.324 -2.055 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -7.036 12.273 -1.447 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -8.693 11.642 -1.597 1.00 0.00 H new ATOM 1306 N LEU A 122 -7.669 8.738 1.151 1.00 0.00 N ATOM 1307 CA LEU A 122 -7.090 7.623 1.913 1.00 0.00 C ATOM 1308 C LEU A 122 -5.731 7.963 2.418 1.00 0.00 C ATOM 1309 O LEU A 122 -5.130 8.859 1.858 1.00 0.00 O ATOM 1310 CB LEU A 122 -6.946 6.367 1.022 1.00 0.00 C ATOM 1311 CG LEU A 122 -8.190 5.581 0.836 1.00 0.00 C ATOM 1312 CD1 LEU A 122 -9.245 6.603 0.732 1.00 0.00 C ATOM 1313 CD2 LEU A 122 -8.020 4.758 -0.412 1.00 0.00 C ATOM 0 H LEU A 122 -7.441 8.774 0.158 1.00 0.00 H new ATOM 0 HA LEU A 122 -7.765 7.430 2.747 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -6.580 6.675 0.043 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -6.186 5.718 1.457 1.00 0.00 H new ATOM 0 HG LEU A 122 -8.433 4.882 1.636 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -10.210 6.117 0.592 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -9.268 7.197 1.646 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -9.039 7.253 -0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -8.918 4.165 -0.582 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -7.855 5.418 -1.264 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -7.163 4.094 -0.296 1.00 0.00 H new ATOM 1325 N GLY A 123 -5.350 7.244 3.452 1.00 0.00 N ATOM 1326 CA GLY A 123 -4.017 7.411 4.079 1.00 0.00 C ATOM 1327 C GLY A 123 -3.745 5.946 4.439 1.00 0.00 C ATOM 1328 O GLY A 123 -4.331 5.475 5.384 1.00 0.00 O ATOM 0 H GLY A 123 -5.932 6.531 3.891 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -3.276 7.822 3.393 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -4.040 8.063 4.952 1.00 0.00 H new ATOM 1332 N ALA A 124 -2.923 5.190 3.765 1.00 0.00 N ATOM 1333 CA ALA A 124 -2.797 3.773 4.266 1.00 0.00 C ATOM 1334 C ALA A 124 -1.396 3.402 4.158 1.00 0.00 C ATOM 1335 O ALA A 124 -0.670 4.257 3.745 1.00 0.00 O ATOM 1336 CB ALA A 124 -3.551 2.989 3.408 1.00 0.00 C ATOM 0 H ALA A 124 -2.368 5.453 2.951 1.00 0.00 H new ATOM 0 HA ALA A 124 -3.134 3.654 5.296 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.496 1.947 3.724 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.589 3.321 3.430 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -3.162 3.081 2.394 1.00 0.00 H new ATOM 1342 N LYS A 125 -1.045 2.206 4.526 1.00 0.00 N ATOM 1343 CA LYS A 125 0.379 1.828 4.403 1.00 0.00 C ATOM 1344 C LYS A 125 0.633 0.347 4.244 1.00 0.00 C ATOM 1345 O LYS A 125 -0.119 -0.491 4.702 1.00 0.00 O ATOM 1346 CB LYS A 125 1.140 2.326 5.622 1.00 0.00 C ATOM 1347 CG LYS A 125 0.159 2.432 6.773 1.00 0.00 C ATOM 1348 CD LYS A 125 0.918 2.684 8.075 1.00 0.00 C ATOM 1349 CE LYS A 125 -0.096 3.056 9.162 1.00 0.00 C ATOM 1350 NZ LYS A 125 0.603 3.246 10.461 1.00 0.00 N ATOM 0 H LYS A 125 -1.669 1.490 4.898 1.00 0.00 H new ATOM 0 HA LYS A 125 0.727 2.297 3.483 1.00 0.00 H new ATOM 0 HB2 LYS A 125 1.949 1.640 5.873 1.00 0.00 H new ATOM 0 HB3 LYS A 125 1.595 3.295 5.418 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -0.546 3.243 6.589 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -0.424 1.514 6.852 1.00 0.00 H new ATOM 0 HD2 LYS A 125 1.477 1.795 8.366 1.00 0.00 H new ATOM 0 HD3 LYS A 125 1.643 3.487 7.942 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -0.621 3.970 8.884 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -0.848 2.272 9.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 0.250 4.109 10.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 0.422 2.427 11.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 1.626 3.336 10.295 1.00 0.00 H new ATOM 1364 N GLY A 126 1.725 0.094 3.582 1.00 0.00 N ATOM 1365 CA GLY A 126 2.122 -1.328 3.346 1.00 0.00 C ATOM 1366 C GLY A 126 3.607 -1.354 3.043 1.00 0.00 C ATOM 1367 O GLY A 126 4.138 -0.337 2.657 1.00 0.00 O ATOM 0 H GLY A 126 2.356 0.797 3.197 1.00 0.00 H new ATOM 0 HA2 GLY A 126 1.901 -1.936 4.223 1.00 0.00 H new ATOM 0 HA3 GLY A 126 1.556 -1.749 2.515 1.00 0.00 H new ATOM 1371 N LYS A 127 4.315 -2.444 3.143 1.00 0.00 N ATOM 1372 CA LYS A 127 5.733 -2.215 2.808 1.00 0.00 C ATOM 1373 C LYS A 127 5.845 -2.150 1.360 1.00 0.00 C ATOM 1374 O LYS A 127 5.023 -2.655 0.631 1.00 0.00 O ATOM 1375 CB LYS A 127 6.620 -3.304 3.166 1.00 0.00 C ATOM 1376 CG LYS A 127 7.445 -2.779 4.257 1.00 0.00 C ATOM 1377 CD LYS A 127 8.389 -3.900 4.697 1.00 0.00 C ATOM 1378 CE LYS A 127 9.410 -3.342 5.675 1.00 0.00 C ATOM 1379 NZ LYS A 127 10.313 -4.428 6.149 1.00 0.00 N ATOM 0 H LYS A 127 4.015 -3.381 3.411 1.00 0.00 H new ATOM 0 HA LYS A 127 6.017 -1.315 3.353 1.00 0.00 H new ATOM 0 HB2 LYS A 127 6.058 -4.182 3.484 1.00 0.00 H new ATOM 0 HB3 LYS A 127 7.234 -3.608 2.318 1.00 0.00 H new ATOM 0 HG2 LYS A 127 8.011 -1.909 3.925 1.00 0.00 H new ATOM 0 HG3 LYS A 127 6.820 -2.455 5.089 1.00 0.00 H new ATOM 0 HD2 LYS A 127 7.823 -4.705 5.165 1.00 0.00 H new ATOM 0 HD3 LYS A 127 8.894 -4.327 3.830 1.00 0.00 H new ATOM 0 HE2 LYS A 127 9.994 -2.557 5.194 1.00 0.00 H new ATOM 0 HE3 LYS A 127 8.900 -2.886 6.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 11.007 -4.036 6.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 9.752 -5.163 6.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 10.811 -4.844 5.337 1.00 0.00 H new ATOM 1393 N LEU A 128 6.900 -1.525 0.970 1.00 0.00 N ATOM 1394 CA LEU A 128 6.980 -1.461 -0.504 1.00 0.00 C ATOM 1395 C LEU A 128 7.816 -2.650 -0.862 1.00 0.00 C ATOM 1396 O LEU A 128 8.654 -2.987 -0.050 1.00 0.00 O ATOM 1397 CB LEU A 128 7.618 -0.137 -0.874 1.00 0.00 C ATOM 1398 CG LEU A 128 8.854 -0.359 -1.655 1.00 0.00 C ATOM 1399 CD1 LEU A 128 8.639 -0.695 -3.082 1.00 0.00 C ATOM 1400 CD2 LEU A 128 9.657 0.844 -1.652 1.00 0.00 C ATOM 0 H LEU A 128 7.639 -1.097 1.528 1.00 0.00 H new ATOM 0 HA LEU A 128 6.028 -1.498 -1.033 1.00 0.00 H new ATOM 0 HB2 LEU A 128 6.916 0.462 -1.455 1.00 0.00 H new ATOM 0 HB3 LEU A 128 7.848 0.428 0.029 1.00 0.00 H new ATOM 0 HG LEU A 128 9.333 -1.208 -1.168 1.00 0.00 H new ATOM 0 HD11 LEU A 128 9.602 -0.839 -3.571 1.00 0.00 H new ATOM 0 HD12 LEU A 128 8.054 -1.612 -3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 128 8.102 0.118 -3.570 1.00 0.00 H new ATOM 0 HD21 LEU A 128 10.567 0.676 -2.229 1.00 0.00 H new ATOM 0 HD22 LEU A 128 9.090 1.661 -2.099 1.00 0.00 H new ATOM 0 HD23 LEU A 128 9.920 1.103 -0.627 1.00 0.00 H new ATOM 1412 N PHE A 129 7.625 -3.285 -1.994 1.00 0.00 N ATOM 1413 CA PHE A 129 8.537 -4.408 -2.176 1.00 0.00 C ATOM 1414 C PHE A 129 9.081 -4.476 -3.570 1.00 0.00 C ATOM 1415 O PHE A 129 8.644 -3.828 -4.515 1.00 0.00 O ATOM 1416 CB PHE A 129 7.819 -5.674 -1.719 1.00 0.00 C ATOM 1417 CG PHE A 129 6.494 -6.006 -2.337 1.00 0.00 C ATOM 1418 CD1 PHE A 129 5.347 -5.255 -2.174 1.00 0.00 C ATOM 1419 CD2 PHE A 129 6.482 -7.170 -3.043 1.00 0.00 C ATOM 1420 CE1 PHE A 129 4.175 -5.716 -2.744 1.00 0.00 C ATOM 1421 CE2 PHE A 129 5.299 -7.621 -3.604 1.00 0.00 C ATOM 1422 CZ PHE A 129 4.146 -6.885 -3.450 1.00 0.00 C ATOM 0 H PHE A 129 6.941 -3.088 -2.725 1.00 0.00 H new ATOM 0 HA PHE A 129 9.428 -4.280 -1.561 1.00 0.00 H new ATOM 0 HB2 PHE A 129 8.488 -6.517 -1.895 1.00 0.00 H new ATOM 0 HB3 PHE A 129 7.674 -5.602 -0.641 1.00 0.00 H new ATOM 0 HD1 PHE A 129 5.365 -4.331 -1.615 1.00 0.00 H new ATOM 0 HD2 PHE A 129 7.392 -7.739 -3.165 1.00 0.00 H new ATOM 0 HE1 PHE A 129 3.267 -5.142 -2.629 1.00 0.00 H new ATOM 0 HE2 PHE A 129 5.281 -8.547 -4.160 1.00 0.00 H new ATOM 0 HZ PHE A 129 3.221 -7.231 -3.886 1.00 0.00 H new ATOM 1511 N GLU A 135 10.891 -2.985 -7.192 1.00 0.00 N ATOM 1512 CA GLU A 135 10.928 -1.699 -6.442 1.00 0.00 C ATOM 1513 C GLU A 135 9.715 -0.877 -6.130 1.00 0.00 C ATOM 1514 O GLU A 135 9.678 0.024 -5.327 1.00 0.00 O ATOM 1515 CB GLU A 135 11.802 -0.947 -7.216 1.00 0.00 C ATOM 1516 CG GLU A 135 12.427 0.228 -6.433 1.00 0.00 C ATOM 1517 CD GLU A 135 13.419 1.003 -7.298 1.00 0.00 C ATOM 1518 OE1 GLU A 135 14.272 0.342 -7.864 1.00 0.00 O ATOM 1519 OE2 GLU A 135 13.267 2.214 -7.334 1.00 0.00 O ATOM 0 HA GLU A 135 11.175 -1.972 -5.416 1.00 0.00 H new ATOM 0 HB2 GLU A 135 12.596 -1.592 -7.591 1.00 0.00 H new ATOM 0 HB3 GLU A 135 11.270 -0.558 -8.084 1.00 0.00 H new ATOM 0 HG2 GLU A 135 11.640 0.898 -6.089 1.00 0.00 H new ATOM 0 HG3 GLU A 135 12.933 -0.151 -5.546 1.00 0.00 H new ATOM 1526 N LEU A 136 8.797 -1.240 -6.900 1.00 0.00 N ATOM 1527 CA LEU A 136 7.465 -0.719 -6.959 1.00 0.00 C ATOM 1528 C LEU A 136 6.126 -1.054 -6.398 1.00 0.00 C ATOM 1529 O LEU A 136 5.185 -0.346 -6.703 1.00 0.00 O ATOM 1530 CB LEU A 136 7.490 -0.614 -8.375 1.00 0.00 C ATOM 1531 CG LEU A 136 7.052 -1.914 -9.081 1.00 0.00 C ATOM 1532 CD1 LEU A 136 5.708 -2.521 -8.648 1.00 0.00 C ATOM 1533 CD2 LEU A 136 7.058 -1.687 -10.590 1.00 0.00 C ATOM 0 H LEU A 136 8.945 -1.982 -7.584 1.00 0.00 H new ATOM 0 HA LEU A 136 7.396 0.004 -6.146 1.00 0.00 H new ATOM 0 HB2 LEU A 136 6.835 0.200 -8.686 1.00 0.00 H new ATOM 0 HB3 LEU A 136 8.498 -0.353 -8.697 1.00 0.00 H new ATOM 0 HG LEU A 136 7.784 -2.659 -8.769 1.00 0.00 H new ATOM 0 HD11 LEU A 136 5.518 -3.430 -9.219 1.00 0.00 H new ATOM 0 HD12 LEU A 136 5.743 -2.761 -7.585 1.00 0.00 H new ATOM 0 HD13 LEU A 136 4.909 -1.803 -8.832 1.00 0.00 H new ATOM 0 HD21 LEU A 136 6.750 -2.601 -11.097 1.00 0.00 H new ATOM 0 HD22 LEU A 136 6.366 -0.883 -10.840 1.00 0.00 H new ATOM 0 HD23 LEU A 136 8.063 -1.415 -10.913 1.00 0.00 H new ATOM 1545 N SER A 137 6.025 -2.060 -5.618 1.00 0.00 N ATOM 1546 CA SER A 137 4.639 -2.343 -5.129 1.00 0.00 C ATOM 1547 C SER A 137 4.407 -2.231 -3.672 1.00 0.00 C ATOM 1548 O SER A 137 5.331 -2.195 -2.898 1.00 0.00 O ATOM 1549 CB SER A 137 4.254 -3.737 -5.652 1.00 0.00 C ATOM 1550 OG SER A 137 3.127 -4.166 -4.904 1.00 0.00 O ATOM 0 H SER A 137 6.773 -2.676 -5.301 1.00 0.00 H new ATOM 0 HA SER A 137 3.999 -1.552 -5.521 1.00 0.00 H new ATOM 0 HB2 SER A 137 4.018 -3.698 -6.716 1.00 0.00 H new ATOM 0 HB3 SER A 137 5.083 -4.435 -5.535 1.00 0.00 H new ATOM 0 HG SER A 137 3.308 -5.048 -4.517 1.00 0.00 H new ATOM 1556 N ILE A 138 3.154 -2.168 -3.337 1.00 0.00 N ATOM 1557 CA ILE A 138 2.840 -2.053 -1.910 1.00 0.00 C ATOM 1558 C ILE A 138 2.276 -3.325 -1.394 1.00 0.00 C ATOM 1559 O ILE A 138 1.547 -4.030 -2.050 1.00 0.00 O ATOM 1560 CB ILE A 138 1.887 -0.929 -1.760 1.00 0.00 C ATOM 1561 CG1 ILE A 138 2.787 0.274 -1.790 1.00 0.00 C ATOM 1562 CG2 ILE A 138 1.146 -1.072 -0.415 1.00 0.00 C ATOM 1563 CD1 ILE A 138 1.934 1.503 -1.895 1.00 0.00 C ATOM 0 H ILE A 138 2.359 -2.191 -3.976 1.00 0.00 H new ATOM 0 HA ILE A 138 3.740 -1.856 -1.327 1.00 0.00 H new ATOM 0 HB ILE A 138 1.112 -0.877 -2.524 1.00 0.00 H new ATOM 0 HG12 ILE A 138 3.398 0.313 -0.888 1.00 0.00 H new ATOM 0 HG13 ILE A 138 3.471 0.214 -2.636 1.00 0.00 H new ATOM 0 HG21 ILE A 138 0.443 -0.248 -0.298 1.00 0.00 H new ATOM 0 HG22 ILE A 138 0.604 -2.017 -0.397 1.00 0.00 H new ATOM 0 HG23 ILE A 138 1.867 -1.052 0.402 1.00 0.00 H new ATOM 0 HD11 ILE A 138 2.571 2.387 -1.918 1.00 0.00 H new ATOM 0 HD12 ILE A 138 1.342 1.458 -2.809 1.00 0.00 H new ATOM 0 HD13 ILE A 138 1.268 1.558 -1.034 1.00 0.00 H new ATOM 1575 N HIS A 139 2.669 -3.534 -0.187 1.00 0.00 N ATOM 1576 CA HIS A 139 2.267 -4.734 0.559 1.00 0.00 C ATOM 1577 C HIS A 139 1.524 -4.251 1.781 1.00 0.00 C ATOM 1578 O HIS A 139 1.999 -4.217 2.900 1.00 0.00 O ATOM 1579 CB HIS A 139 3.567 -5.486 0.814 1.00 0.00 C ATOM 1580 CG HIS A 139 3.241 -6.846 1.407 1.00 0.00 C ATOM 1581 ND1 HIS A 139 4.111 -7.729 1.764 1.00 0.00 N ATOM 1582 CD2 HIS A 139 2.021 -7.439 1.674 1.00 0.00 C ATOM 1583 CE1 HIS A 139 3.497 -8.776 2.212 1.00 0.00 C ATOM 1584 NE2 HIS A 139 2.195 -8.641 2.178 1.00 0.00 N ATOM 0 H HIS A 139 3.275 -2.899 0.332 1.00 0.00 H new ATOM 0 HA HIS A 139 1.587 -5.423 0.057 1.00 0.00 H new ATOM 0 HB2 HIS A 139 4.123 -5.604 -0.116 1.00 0.00 H new ATOM 0 HB3 HIS A 139 4.202 -4.920 1.495 1.00 0.00 H new ATOM 0 HD2 HIS A 139 1.060 -6.980 1.494 1.00 0.00 H new ATOM 0 HE1 HIS A 139 4.001 -9.660 2.573 1.00 0.00 H new ATOM 0 HE2 HIS A 139 1.484 -9.310 2.473 1.00 0.00 H new ATOM 1592 N CYS A 140 0.324 -3.891 1.411 1.00 0.00 N ATOM 1593 CA CYS A 140 -0.708 -3.348 2.336 1.00 0.00 C ATOM 1594 C CYS A 140 -1.104 -4.194 3.545 1.00 0.00 C ATOM 1595 O CYS A 140 -1.360 -5.392 3.472 1.00 0.00 O ATOM 1596 CB CYS A 140 -1.955 -3.043 1.522 1.00 0.00 C ATOM 1597 SG CYS A 140 -3.404 -2.498 2.458 1.00 0.00 S ATOM 0 H CYS A 140 0.003 -3.957 0.445 1.00 0.00 H new ATOM 0 HA CYS A 140 -0.237 -2.472 2.782 1.00 0.00 H new ATOM 0 HB2 CYS A 140 -1.708 -2.272 0.792 1.00 0.00 H new ATOM 0 HB3 CYS A 140 -2.226 -3.938 0.961 1.00 0.00 H new ATOM 0 HG CYS A 140 -4.316 -2.072 1.636 1.00 0.00 H new ATOM 1603 N THR A 141 -1.113 -3.415 4.607 1.00 0.00 N ATOM 1604 CA THR A 141 -1.448 -3.868 5.983 1.00 0.00 C ATOM 1605 C THR A 141 -2.343 -2.940 6.853 1.00 0.00 C ATOM 1606 O THR A 141 -3.218 -3.457 7.518 1.00 0.00 O ATOM 1607 CB THR A 141 -0.165 -4.115 6.745 1.00 0.00 C ATOM 1608 OG1 THR A 141 0.628 -2.956 6.536 1.00 0.00 O ATOM 1609 CG2 THR A 141 0.578 -5.273 6.105 1.00 0.00 C ATOM 0 H THR A 141 -0.885 -2.422 4.559 1.00 0.00 H new ATOM 0 HA THR A 141 -2.051 -4.761 5.816 1.00 0.00 H new ATOM 0 HB THR A 141 -0.361 -4.327 7.796 1.00 0.00 H new ATOM 0 HG1 THR A 141 1.480 -3.053 7.010 1.00 0.00 H new ATOM 0 HG21 THR A 141 1.504 -5.456 6.650 1.00 0.00 H new ATOM 0 HG22 THR A 141 -0.045 -6.167 6.137 1.00 0.00 H new ATOM 0 HG23 THR A 141 0.809 -5.029 5.068 1.00 0.00 H new ATOM 1617 N GLU A 142 -2.156 -1.630 6.866 1.00 0.00 N ATOM 1618 CA GLU A 142 -3.036 -0.776 7.737 1.00 0.00 C ATOM 1619 C GLU A 142 -3.754 0.264 6.895 1.00 0.00 C ATOM 1620 O GLU A 142 -3.143 0.856 6.030 1.00 0.00 O ATOM 1621 CB GLU A 142 -2.180 -0.061 8.766 1.00 0.00 C ATOM 1622 CG GLU A 142 -1.285 -1.059 9.491 1.00 0.00 C ATOM 1623 CD GLU A 142 -0.223 -0.270 10.262 1.00 0.00 C ATOM 1624 OE1 GLU A 142 -0.603 0.366 11.232 1.00 0.00 O ATOM 1625 OE2 GLU A 142 0.915 -0.344 9.824 1.00 0.00 O ATOM 0 H GLU A 142 -1.451 -1.130 6.325 1.00 0.00 H new ATOM 0 HA GLU A 142 -3.769 -1.414 8.231 1.00 0.00 H new ATOM 0 HB2 GLU A 142 -1.569 0.698 8.277 1.00 0.00 H new ATOM 0 HB3 GLU A 142 -2.817 0.456 9.484 1.00 0.00 H new ATOM 0 HG2 GLU A 142 -1.873 -1.673 10.173 1.00 0.00 H new ATOM 0 HG3 GLU A 142 -0.814 -1.736 8.778 1.00 0.00 H new ATOM 1632 N LEU A 143 -5.012 0.470 7.180 1.00 0.00 N ATOM 1633 CA LEU A 143 -5.804 1.469 6.399 1.00 0.00 C ATOM 1634 C LEU A 143 -6.469 2.603 7.227 1.00 0.00 C ATOM 1635 O LEU A 143 -7.319 2.342 8.055 1.00 0.00 O ATOM 1636 CB LEU A 143 -6.895 0.702 5.627 1.00 0.00 C ATOM 1637 CG LEU A 143 -6.353 -0.358 4.602 1.00 0.00 C ATOM 1638 CD1 LEU A 143 -7.464 -0.811 3.649 1.00 0.00 C ATOM 1639 CD2 LEU A 143 -5.244 0.167 3.712 1.00 0.00 C ATOM 0 H LEU A 143 -5.527 -0.009 7.919 1.00 0.00 H new ATOM 0 HA LEU A 143 -5.093 1.980 5.749 1.00 0.00 H new ATOM 0 HB2 LEU A 143 -7.541 0.196 6.345 1.00 0.00 H new ATOM 0 HB3 LEU A 143 -7.515 1.421 5.092 1.00 0.00 H new ATOM 0 HG LEU A 143 -5.975 -1.169 5.224 1.00 0.00 H new ATOM 0 HD11 LEU A 143 -7.066 -1.545 2.948 1.00 0.00 H new ATOM 0 HD12 LEU A 143 -8.275 -1.260 4.223 1.00 0.00 H new ATOM 0 HD13 LEU A 143 -7.843 0.049 3.097 1.00 0.00 H new ATOM 0 HD21 LEU A 143 -4.921 -0.620 3.031 1.00 0.00 H new ATOM 0 HD22 LEU A 143 -5.611 1.017 3.136 1.00 0.00 H new ATOM 0 HD23 LEU A 143 -4.402 0.483 4.328 1.00 0.00 H new ATOM 1651 N ARG A 144 -6.067 3.829 6.977 1.00 0.00 N ATOM 1652 CA ARG A 144 -6.635 5.019 7.697 1.00 0.00 C ATOM 1653 C ARG A 144 -6.940 5.987 6.540 1.00 0.00 C ATOM 1654 O ARG A 144 -6.260 6.949 6.228 1.00 0.00 O ATOM 1655 CB ARG A 144 -5.572 5.561 8.715 1.00 0.00 C ATOM 1656 CG ARG A 144 -4.171 5.748 8.123 1.00 0.00 C ATOM 1657 CD ARG A 144 -3.194 6.100 9.247 1.00 0.00 C ATOM 1658 NE ARG A 144 -3.644 7.369 9.885 1.00 0.00 N ATOM 1659 CZ ARG A 144 -3.915 7.380 11.160 1.00 0.00 C ATOM 1660 NH1 ARG A 144 -2.935 7.247 12.012 1.00 0.00 N ATOM 1661 NH2 ARG A 144 -5.153 7.526 11.542 1.00 0.00 N ATOM 0 H ARG A 144 -5.352 4.060 6.288 1.00 0.00 H new ATOM 0 HA ARG A 144 -7.523 4.830 8.300 1.00 0.00 H new ATOM 0 HB2 ARG A 144 -5.918 6.517 9.109 1.00 0.00 H new ATOM 0 HB3 ARG A 144 -5.509 4.873 9.558 1.00 0.00 H new ATOM 0 HG2 ARG A 144 -3.851 4.836 7.619 1.00 0.00 H new ATOM 0 HG3 ARG A 144 -4.182 6.539 7.373 1.00 0.00 H new ATOM 0 HD2 ARG A 144 -3.159 5.297 9.984 1.00 0.00 H new ATOM 0 HD3 ARG A 144 -2.185 6.213 8.850 1.00 0.00 H new ATOM 0 HE ARG A 144 -3.739 8.220 9.330 1.00 0.00 H new ATOM 0 HH11 ARG A 144 -1.978 7.137 11.676 1.00 0.00 H new ATOM 0 HH12 ARG A 144 -3.126 7.253 13.014 1.00 0.00 H new ATOM 0 HH21 ARG A 144 -5.892 7.629 10.847 1.00 0.00 H new ATOM 0 HH22 ARG A 144 -5.382 7.537 12.536 1.00 0.00 H new ATOM 1675 N LEU A 145 -8.003 5.646 5.877 1.00 0.00 N ATOM 1676 CA LEU A 145 -8.480 6.382 4.755 1.00 0.00 C ATOM 1677 C LEU A 145 -9.912 6.931 4.649 1.00 0.00 C ATOM 1678 O LEU A 145 -10.816 6.146 4.447 1.00 0.00 O ATOM 1679 CB LEU A 145 -8.116 5.415 3.798 1.00 0.00 C ATOM 1680 CG LEU A 145 -7.980 3.959 4.223 1.00 0.00 C ATOM 1681 CD1 LEU A 145 -9.348 3.416 4.400 1.00 0.00 C ATOM 1682 CD2 LEU A 145 -7.397 3.176 3.069 1.00 0.00 C ATOM 0 H LEU A 145 -8.572 4.831 6.109 1.00 0.00 H new ATOM 0 HA LEU A 145 -8.076 7.393 4.708 1.00 0.00 H new ATOM 0 HB2 LEU A 145 -8.853 5.454 2.996 1.00 0.00 H new ATOM 0 HB3 LEU A 145 -7.162 5.721 3.369 1.00 0.00 H new ATOM 0 HG LEU A 145 -7.369 3.889 5.123 1.00 0.00 H new ATOM 0 HD11 LEU A 145 -9.288 2.371 4.705 1.00 0.00 H new ATOM 0 HD12 LEU A 145 -9.870 3.989 5.166 1.00 0.00 H new ATOM 0 HD13 LEU A 145 -9.893 3.488 3.459 1.00 0.00 H new ATOM 0 HD21 LEU A 145 -7.292 2.130 3.355 1.00 0.00 H new ATOM 0 HD22 LEU A 145 -8.059 3.252 2.207 1.00 0.00 H new ATOM 0 HD23 LEU A 145 -6.418 3.581 2.812 1.00 0.00 H new ATOM 1694 N LEU A 146 -10.175 8.211 4.780 1.00 0.00 N ATOM 1695 CA LEU A 146 -11.454 8.703 4.683 1.00 0.00 C ATOM 1696 C LEU A 146 -11.322 10.214 4.370 1.00 0.00 C ATOM 1697 O LEU A 146 -11.832 10.822 3.465 1.00 0.00 O ATOM 1698 CB LEU A 146 -12.061 8.477 5.994 1.00 0.00 C ATOM 1699 CG LEU A 146 -13.503 8.802 5.913 1.00 0.00 C ATOM 1700 CD1 LEU A 146 -13.459 10.209 6.431 1.00 0.00 C ATOM 1701 CD2 LEU A 146 -13.875 8.793 4.427 1.00 0.00 C ATOM 0 H LEU A 146 -9.465 8.921 4.960 1.00 0.00 H new ATOM 0 HA LEU A 146 -12.062 8.235 3.909 1.00 0.00 H new ATOM 0 HB2 LEU A 146 -11.924 7.440 6.300 1.00 0.00 H new ATOM 0 HB3 LEU A 146 -11.576 9.098 6.747 1.00 0.00 H new ATOM 0 HG LEU A 146 -14.201 8.148 6.436 1.00 0.00 H new ATOM 0 HD11 LEU A 146 -14.467 10.624 6.443 1.00 0.00 H new ATOM 0 HD12 LEU A 146 -13.054 10.212 7.443 1.00 0.00 H new ATOM 0 HD13 LEU A 146 -12.825 10.815 5.784 1.00 0.00 H new ATOM 0 HD21 LEU A 146 -14.933 9.028 4.315 1.00 0.00 H new ATOM 0 HD22 LEU A 146 -13.280 9.538 3.898 1.00 0.00 H new ATOM 0 HD23 LEU A 146 -13.677 7.806 4.008 1.00 0.00 H new ATOM 1713 N THR A 147 -10.618 10.757 5.289 1.00 0.00 N ATOM 1714 CA THR A 147 -10.309 12.208 5.326 1.00 0.00 C ATOM 1715 C THR A 147 -10.663 13.078 4.128 1.00 0.00 C ATOM 1716 O THR A 147 -10.200 12.975 3.014 1.00 0.00 O ATOM 1717 CB THR A 147 -8.909 12.377 5.581 1.00 0.00 C ATOM 1718 OG1 THR A 147 -8.372 11.075 5.772 1.00 0.00 O ATOM 1719 CG2 THR A 147 -8.869 13.106 6.901 1.00 0.00 C ATOM 0 H THR A 147 -10.216 10.233 6.066 1.00 0.00 H new ATOM 0 HA THR A 147 -10.974 12.566 6.112 1.00 0.00 H new ATOM 0 HB THR A 147 -8.366 12.899 4.793 1.00 0.00 H new ATOM 0 HG1 THR A 147 -7.410 11.140 5.949 1.00 0.00 H new ATOM 0 HG21 THR A 147 -7.832 13.285 7.187 1.00 0.00 H new ATOM 0 HG22 THR A 147 -9.389 14.059 6.806 1.00 0.00 H new ATOM 0 HG23 THR A 147 -9.357 12.501 7.665 1.00 0.00 H new ATOM 1727 N LYS A 148 -11.546 13.945 4.516 1.00 0.00 N ATOM 1728 CA LYS A 148 -12.166 14.978 3.648 1.00 0.00 C ATOM 1729 C LYS A 148 -11.279 15.768 2.681 1.00 0.00 C ATOM 1730 O LYS A 148 -10.885 16.872 2.988 1.00 0.00 O ATOM 1731 CB LYS A 148 -12.917 15.899 4.608 1.00 0.00 C ATOM 1732 CG LYS A 148 -12.000 16.462 5.713 1.00 0.00 C ATOM 1733 CD LYS A 148 -12.778 17.441 6.620 1.00 0.00 C ATOM 1734 CE LYS A 148 -13.908 16.728 7.393 1.00 0.00 C ATOM 1735 NZ LYS A 148 -15.076 16.441 6.511 1.00 0.00 N ATOM 0 H LYS A 148 -11.888 13.979 5.476 1.00 0.00 H new ATOM 0 HA LYS A 148 -12.792 14.453 2.927 1.00 0.00 H new ATOM 0 HB2 LYS A 148 -13.357 16.724 4.048 1.00 0.00 H new ATOM 0 HB3 LYS A 148 -13.740 15.350 5.066 1.00 0.00 H new ATOM 0 HG2 LYS A 148 -11.599 15.644 6.312 1.00 0.00 H new ATOM 0 HG3 LYS A 148 -11.150 16.974 5.262 1.00 0.00 H new ATOM 0 HD2 LYS A 148 -12.091 17.906 7.327 1.00 0.00 H new ATOM 0 HD3 LYS A 148 -13.201 18.241 6.013 1.00 0.00 H new ATOM 0 HE2 LYS A 148 -13.531 15.796 7.814 1.00 0.00 H new ATOM 0 HE3 LYS A 148 -14.227 17.350 8.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 148 -15.955 16.697 7.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 148 -14.995 16.997 5.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 148 -15.093 15.428 6.277 1.00 0.00 H new ATOM 1749 N ALA A 149 -11.006 15.164 1.547 1.00 0.00 N ATOM 1750 CA ALA A 149 -10.161 15.769 0.471 1.00 0.00 C ATOM 1751 C ALA A 149 -9.950 17.288 0.526 1.00 0.00 C ATOM 1752 O ALA A 149 -10.726 17.970 -0.123 1.00 0.00 O ATOM 1753 CB ALA A 149 -10.809 15.367 -0.839 1.00 0.00 C ATOM 1754 OXT ALA A 149 -9.023 17.679 1.217 1.00 0.00 O ATOM 0 H ALA A 149 -11.353 14.233 1.317 1.00 0.00 H new ATOM 0 HA ALA A 149 -9.147 15.389 0.600 1.00 0.00 H new ATOM 0 HB1 ALA A 149 -10.237 15.780 -1.670 1.00 0.00 H new ATOM 0 HB2 ALA A 149 -10.829 14.280 -0.917 1.00 0.00 H new ATOM 0 HB3 ALA A 149 -11.828 15.752 -0.874 1.00 0.00 H new