USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 628 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 60 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 70 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 14 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 40 THR OG1 : rot -150:sc= -0.279! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 176:sc= -2.07 (180deg=-2.11) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl -131:sc= -0.12 (180deg=-0.949) USER MOD Single : A 31 LYS NZ :NH3+ 159:sc= -0.0401 (180deg=-0.605) USER MOD Single : A 33 GLN : amide:sc= -2.66! C(o=-2.7!,f=-4.6!) USER MOD Single : A 39 MET CE :methyl 154:sc= -0.22 (180deg=-1.31!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 46:sc= 0.281 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ -113:sc= -0.894 (180deg=-1) USER MOD Single : A 64 GLN : amide:sc= -4.15! C(o=-4.2!,f=-7.6!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.0244 K(o=-0.024,f=-1.6!) USER MOD Single : A 77 THR OG1 : rot -31:sc= 1.14 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 71.096 1.065 -9.977 1.00 0.00 N ATOM 2 CA MET A 1 69.772 0.391 -10.095 1.00 0.00 C ATOM 3 C MET A 1 69.964 -1.118 -9.974 1.00 0.00 C ATOM 4 O MET A 1 69.436 -1.883 -10.780 1.00 0.00 O ATOM 5 CB MET A 1 69.151 0.718 -11.457 1.00 0.00 C ATOM 6 CG MET A 1 70.220 0.593 -12.541 1.00 0.00 C ATOM 7 SD MET A 1 69.472 0.854 -14.169 1.00 0.00 S ATOM 8 CE MET A 1 70.938 0.472 -15.159 1.00 0.00 C ATOM 0 H1 MET A 1 70.980 2.088 -10.126 1.00 0.00 H new ATOM 0 H2 MET A 1 71.488 0.896 -9.029 1.00 0.00 H new ATOM 0 H3 MET A 1 71.745 0.682 -10.693 1.00 0.00 H new ATOM 0 HA MET A 1 69.111 0.742 -9.302 1.00 0.00 H new ATOM 0 HB2 MET A 1 68.324 0.039 -11.665 1.00 0.00 H new ATOM 0 HB3 MET A 1 68.740 1.728 -11.450 1.00 0.00 H new ATOM 0 HG2 MET A 1 71.010 1.324 -12.372 1.00 0.00 H new ATOM 0 HG3 MET A 1 70.683 -0.393 -12.497 1.00 0.00 H new ATOM 0 HE1 MET A 1 70.698 0.572 -16.218 1.00 0.00 H new ATOM 0 HE2 MET A 1 71.741 1.163 -14.902 1.00 0.00 H new ATOM 0 HE3 MET A 1 71.259 -0.549 -14.955 1.00 0.00 H new ATOM 20 N TYR A 2 70.726 -1.545 -8.972 1.00 0.00 N ATOM 21 CA TYR A 2 70.977 -2.966 -8.774 1.00 0.00 C ATOM 22 C TYR A 2 69.790 -3.618 -8.079 1.00 0.00 C ATOM 23 O TYR A 2 69.338 -3.157 -7.032 1.00 0.00 O ATOM 24 CB TYR A 2 72.244 -3.168 -7.935 1.00 0.00 C ATOM 25 CG TYR A 2 72.762 -4.590 -8.106 1.00 0.00 C ATOM 26 CD1 TYR A 2 72.266 -5.626 -7.297 1.00 0.00 C ATOM 27 CD2 TYR A 2 73.741 -4.876 -9.075 1.00 0.00 C ATOM 28 CE1 TYR A 2 72.742 -6.932 -7.457 1.00 0.00 C ATOM 29 CE2 TYR A 2 74.213 -6.185 -9.231 1.00 0.00 C ATOM 30 CZ TYR A 2 73.713 -7.212 -8.421 1.00 0.00 C ATOM 31 OH TYR A 2 74.178 -8.502 -8.579 1.00 0.00 O ATOM 0 H TYR A 2 71.176 -0.933 -8.291 1.00 0.00 H new ATOM 0 HA TYR A 2 71.118 -3.433 -9.749 1.00 0.00 H new ATOM 0 HB2 TYR A 2 73.009 -2.454 -8.240 1.00 0.00 H new ATOM 0 HB3 TYR A 2 72.029 -2.975 -6.884 1.00 0.00 H new ATOM 0 HD1 TYR A 2 71.516 -5.414 -6.550 1.00 0.00 H new ATOM 0 HD2 TYR A 2 74.129 -4.085 -9.699 1.00 0.00 H new ATOM 0 HE1 TYR A 2 72.358 -7.726 -6.833 1.00 0.00 H new ATOM 0 HE2 TYR A 2 74.963 -6.403 -9.977 1.00 0.00 H new ATOM 0 HH TYR A 2 74.849 -8.523 -9.293 1.00 0.00 H new ATOM 41 N GLU A 3 69.292 -4.694 -8.674 1.00 0.00 N ATOM 42 CA GLU A 3 68.150 -5.414 -8.118 1.00 0.00 C ATOM 43 C GLU A 3 68.623 -6.475 -7.131 1.00 0.00 C ATOM 44 O GLU A 3 69.543 -7.237 -7.419 1.00 0.00 O ATOM 45 CB GLU A 3 67.357 -6.084 -9.248 1.00 0.00 C ATOM 46 CG GLU A 3 66.841 -5.013 -10.222 1.00 0.00 C ATOM 47 CD GLU A 3 67.943 -4.615 -11.202 1.00 0.00 C ATOM 48 OE1 GLU A 3 69.051 -5.100 -11.044 1.00 0.00 O ATOM 49 OE2 GLU A 3 67.659 -3.842 -12.102 1.00 0.00 O ATOM 0 H GLU A 3 69.659 -5.088 -9.540 1.00 0.00 H new ATOM 0 HA GLU A 3 67.510 -4.703 -7.596 1.00 0.00 H new ATOM 0 HB2 GLU A 3 67.990 -6.796 -9.777 1.00 0.00 H new ATOM 0 HB3 GLU A 3 66.520 -6.647 -8.834 1.00 0.00 H new ATOM 0 HG2 GLU A 3 65.978 -5.394 -10.769 1.00 0.00 H new ATOM 0 HG3 GLU A 3 66.505 -4.138 -9.666 1.00 0.00 H new ATOM 56 N PHE A 4 67.972 -6.533 -5.966 1.00 0.00 N ATOM 57 CA PHE A 4 68.326 -7.527 -4.946 1.00 0.00 C ATOM 58 C PHE A 4 67.321 -8.673 -4.974 1.00 0.00 C ATOM 59 O PHE A 4 66.147 -8.493 -4.651 1.00 0.00 O ATOM 60 CB PHE A 4 68.372 -6.872 -3.541 1.00 0.00 C ATOM 61 CG PHE A 4 68.266 -7.917 -2.433 1.00 0.00 C ATOM 62 CD1 PHE A 4 69.190 -8.975 -2.355 1.00 0.00 C ATOM 63 CD2 PHE A 4 67.223 -7.837 -1.484 1.00 0.00 C ATOM 64 CE1 PHE A 4 69.072 -9.936 -1.348 1.00 0.00 C ATOM 65 CE2 PHE A 4 67.110 -8.807 -0.484 1.00 0.00 C ATOM 66 CZ PHE A 4 68.035 -9.856 -0.416 1.00 0.00 C ATOM 0 H PHE A 4 67.206 -5.912 -5.706 1.00 0.00 H new ATOM 0 HA PHE A 4 69.318 -7.923 -5.165 1.00 0.00 H new ATOM 0 HB2 PHE A 4 69.302 -6.314 -3.429 1.00 0.00 H new ATOM 0 HB3 PHE A 4 67.557 -6.155 -3.446 1.00 0.00 H new ATOM 0 HD1 PHE A 4 69.992 -9.044 -3.075 1.00 0.00 H new ATOM 0 HD2 PHE A 4 66.512 -7.025 -1.531 1.00 0.00 H new ATOM 0 HE1 PHE A 4 69.786 -10.744 -1.290 1.00 0.00 H new ATOM 0 HE2 PHE A 4 66.308 -8.747 0.237 1.00 0.00 H new ATOM 0 HZ PHE A 4 67.946 -10.604 0.358 1.00 0.00 H new ATOM 76 N LYS A 5 67.800 -9.855 -5.367 1.00 0.00 N ATOM 77 CA LYS A 5 66.955 -11.048 -5.444 1.00 0.00 C ATOM 78 C LYS A 5 67.494 -12.136 -4.526 1.00 0.00 C ATOM 79 O LYS A 5 68.581 -12.666 -4.756 1.00 0.00 O ATOM 80 CB LYS A 5 66.925 -11.571 -6.883 1.00 0.00 C ATOM 81 CG LYS A 5 66.233 -10.539 -7.778 1.00 0.00 C ATOM 82 CD LYS A 5 66.116 -11.071 -9.213 1.00 0.00 C ATOM 83 CE LYS A 5 67.485 -11.070 -9.903 1.00 0.00 C ATOM 84 NZ LYS A 5 67.290 -11.244 -11.369 1.00 0.00 N ATOM 0 H LYS A 5 68.771 -10.012 -5.637 1.00 0.00 H new ATOM 0 HA LYS A 5 65.946 -10.781 -5.130 1.00 0.00 H new ATOM 0 HB2 LYS A 5 67.939 -11.756 -7.237 1.00 0.00 H new ATOM 0 HB3 LYS A 5 66.394 -12.522 -6.926 1.00 0.00 H new ATOM 0 HG2 LYS A 5 65.242 -10.313 -7.385 1.00 0.00 H new ATOM 0 HG3 LYS A 5 66.798 -9.607 -7.773 1.00 0.00 H new ATOM 0 HD2 LYS A 5 65.710 -12.083 -9.199 1.00 0.00 H new ATOM 0 HD3 LYS A 5 65.417 -10.455 -9.779 1.00 0.00 H new ATOM 0 HE2 LYS A 5 68.007 -10.135 -9.701 1.00 0.00 H new ATOM 0 HE3 LYS A 5 68.106 -11.874 -9.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 68.215 -11.244 -11.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 66.807 -12.147 -11.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 66.712 -10.462 -11.737 1.00 0.00 H new ATOM 98 N LEU A 6 66.720 -12.459 -3.489 1.00 0.00 N ATOM 99 CA LEU A 6 67.105 -13.498 -2.513 1.00 0.00 C ATOM 100 C LEU A 6 67.918 -14.612 -3.202 1.00 0.00 C ATOM 101 O LEU A 6 67.333 -15.518 -3.797 1.00 0.00 O ATOM 102 CB LEU A 6 65.838 -14.126 -1.868 1.00 0.00 C ATOM 103 CG LEU A 6 65.403 -13.342 -0.613 1.00 0.00 C ATOM 104 CD1 LEU A 6 63.993 -13.801 -0.208 1.00 0.00 C ATOM 105 CD2 LEU A 6 66.377 -13.595 0.563 1.00 0.00 C ATOM 0 H LEU A 6 65.820 -12.019 -3.297 1.00 0.00 H new ATOM 0 HA LEU A 6 67.715 -13.027 -1.742 1.00 0.00 H new ATOM 0 HB2 LEU A 6 65.025 -14.136 -2.594 1.00 0.00 H new ATOM 0 HB3 LEU A 6 66.039 -15.163 -1.600 1.00 0.00 H new ATOM 0 HG LEU A 6 65.410 -12.277 -0.843 1.00 0.00 H new ATOM 0 HD11 LEU A 6 63.673 -13.254 0.679 1.00 0.00 H new ATOM 0 HD12 LEU A 6 63.298 -13.606 -1.025 1.00 0.00 H new ATOM 0 HD13 LEU A 6 64.007 -14.869 0.010 1.00 0.00 H new ATOM 0 HD21 LEU A 6 66.048 -13.031 1.436 1.00 0.00 H new ATOM 0 HD22 LEU A 6 66.390 -14.658 0.802 1.00 0.00 H new ATOM 0 HD23 LEU A 6 67.380 -13.274 0.280 1.00 0.00 H new ATOM 117 N PRO A 7 69.233 -14.580 -3.141 1.00 0.00 N ATOM 118 CA PRO A 7 70.074 -15.628 -3.789 1.00 0.00 C ATOM 119 C PRO A 7 69.697 -17.032 -3.322 1.00 0.00 C ATOM 120 O PRO A 7 69.265 -17.228 -2.187 1.00 0.00 O ATOM 121 CB PRO A 7 71.513 -15.270 -3.377 1.00 0.00 C ATOM 122 CG PRO A 7 71.466 -13.819 -3.010 1.00 0.00 C ATOM 123 CD PRO A 7 70.061 -13.559 -2.466 1.00 0.00 C ATOM 0 HA PRO A 7 69.941 -15.645 -4.871 1.00 0.00 H new ATOM 0 HB2 PRO A 7 71.845 -15.879 -2.536 1.00 0.00 H new ATOM 0 HB3 PRO A 7 72.212 -15.447 -4.194 1.00 0.00 H new ATOM 0 HG2 PRO A 7 72.223 -13.583 -2.262 1.00 0.00 H new ATOM 0 HG3 PRO A 7 71.669 -13.192 -3.878 1.00 0.00 H new ATOM 0 HD2 PRO A 7 70.025 -13.666 -1.382 1.00 0.00 H new ATOM 0 HD3 PRO A 7 69.721 -12.550 -2.698 1.00 0.00 H new ATOM 131 N ASP A 8 69.856 -17.997 -4.217 1.00 0.00 N ATOM 132 CA ASP A 8 69.524 -19.382 -3.907 1.00 0.00 C ATOM 133 C ASP A 8 70.512 -19.969 -2.902 1.00 0.00 C ATOM 134 O ASP A 8 70.880 -21.140 -2.996 1.00 0.00 O ATOM 135 CB ASP A 8 69.541 -20.211 -5.193 1.00 0.00 C ATOM 136 CG ASP A 8 68.363 -19.817 -6.076 1.00 0.00 C ATOM 137 OD1 ASP A 8 67.474 -19.149 -5.575 1.00 0.00 O ATOM 138 OD2 ASP A 8 68.366 -20.183 -7.240 1.00 0.00 O ATOM 0 H ASP A 8 70.212 -17.848 -5.161 1.00 0.00 H new ATOM 0 HA ASP A 8 68.529 -19.409 -3.463 1.00 0.00 H new ATOM 0 HB2 ASP A 8 70.477 -20.051 -5.727 1.00 0.00 H new ATOM 0 HB3 ASP A 8 69.488 -21.273 -4.953 1.00 0.00 H new ATOM 143 N ILE A 9 70.934 -19.150 -1.937 1.00 0.00 N ATOM 144 CA ILE A 9 71.882 -19.598 -0.909 1.00 0.00 C ATOM 145 C ILE A 9 71.171 -19.719 0.435 1.00 0.00 C ATOM 146 O ILE A 9 70.474 -18.799 0.869 1.00 0.00 O ATOM 147 CB ILE A 9 73.032 -18.590 -0.781 1.00 0.00 C ATOM 148 CG1 ILE A 9 73.714 -18.401 -2.143 1.00 0.00 C ATOM 149 CG2 ILE A 9 74.059 -19.106 0.229 1.00 0.00 C ATOM 150 CD1 ILE A 9 74.682 -17.209 -2.081 1.00 0.00 C ATOM 0 H ILE A 9 70.638 -18.178 -1.844 1.00 0.00 H new ATOM 0 HA ILE A 9 72.281 -20.570 -1.200 1.00 0.00 H new ATOM 0 HB ILE A 9 72.631 -17.635 -0.441 1.00 0.00 H new ATOM 0 HG12 ILE A 9 74.255 -19.306 -2.418 1.00 0.00 H new ATOM 0 HG13 ILE A 9 72.964 -18.232 -2.915 1.00 0.00 H new ATOM 0 HG21 ILE A 9 74.874 -18.388 0.318 1.00 0.00 H new ATOM 0 HG22 ILE A 9 73.581 -19.234 1.200 1.00 0.00 H new ATOM 0 HG23 ILE A 9 74.454 -20.064 -0.111 1.00 0.00 H new ATOM 0 HD11 ILE A 9 75.163 -17.080 -3.051 1.00 0.00 H new ATOM 0 HD12 ILE A 9 74.129 -16.304 -1.827 1.00 0.00 H new ATOM 0 HD13 ILE A 9 75.441 -17.396 -1.321 1.00 0.00 H new ATOM 162 N GLY A 10 71.345 -20.863 1.085 1.00 0.00 N ATOM 163 CA GLY A 10 70.712 -21.113 2.380 1.00 0.00 C ATOM 164 C GLY A 10 70.380 -22.593 2.533 1.00 0.00 C ATOM 165 O GLY A 10 70.774 -23.413 1.703 1.00 0.00 O ATOM 0 H GLY A 10 71.918 -21.633 0.740 1.00 0.00 H new ATOM 0 HA2 GLY A 10 71.377 -20.798 3.184 1.00 0.00 H new ATOM 0 HA3 GLY A 10 69.802 -20.519 2.468 1.00 0.00 H new ATOM 169 N GLU A 11 69.660 -22.931 3.600 1.00 0.00 N ATOM 170 CA GLU A 11 69.284 -24.321 3.854 1.00 0.00 C ATOM 171 C GLU A 11 67.953 -24.648 3.185 1.00 0.00 C ATOM 172 O GLU A 11 66.903 -24.612 3.827 1.00 0.00 O ATOM 173 CB GLU A 11 69.164 -24.559 5.360 1.00 0.00 C ATOM 174 CG GLU A 11 68.901 -26.043 5.625 1.00 0.00 C ATOM 175 CD GLU A 11 68.875 -26.308 7.128 1.00 0.00 C ATOM 176 OE1 GLU A 11 68.787 -25.349 7.877 1.00 0.00 O ATOM 177 OE2 GLU A 11 68.949 -27.465 7.507 1.00 0.00 O ATOM 0 H GLU A 11 69.327 -22.267 4.299 1.00 0.00 H new ATOM 0 HA GLU A 11 70.057 -24.968 3.439 1.00 0.00 H new ATOM 0 HB2 GLU A 11 70.079 -24.246 5.862 1.00 0.00 H new ATOM 0 HB3 GLU A 11 68.354 -23.957 5.770 1.00 0.00 H new ATOM 0 HG2 GLU A 11 67.951 -26.338 5.179 1.00 0.00 H new ATOM 0 HG3 GLU A 11 69.676 -26.648 5.154 1.00 0.00 H new ATOM 184 N GLY A 12 68.004 -24.973 1.897 1.00 0.00 N ATOM 185 CA GLY A 12 66.793 -25.310 1.155 1.00 0.00 C ATOM 186 C GLY A 12 65.783 -24.166 1.203 1.00 0.00 C ATOM 187 O GLY A 12 65.377 -23.727 2.276 1.00 0.00 O ATOM 0 H GLY A 12 68.863 -25.010 1.349 1.00 0.00 H new ATOM 0 HA2 GLY A 12 67.048 -25.531 0.118 1.00 0.00 H new ATOM 0 HA3 GLY A 12 66.346 -26.212 1.573 1.00 0.00 H new ATOM 191 N VAL A 13 65.373 -23.693 0.026 1.00 0.00 N ATOM 192 CA VAL A 13 64.394 -22.602 -0.069 1.00 0.00 C ATOM 193 C VAL A 13 63.269 -23.003 -1.022 1.00 0.00 C ATOM 194 O VAL A 13 63.525 -23.468 -2.133 1.00 0.00 O ATOM 195 CB VAL A 13 65.080 -21.319 -0.573 1.00 0.00 C ATOM 196 CG1 VAL A 13 64.020 -20.272 -0.950 1.00 0.00 C ATOM 197 CG2 VAL A 13 65.991 -20.739 0.526 1.00 0.00 C ATOM 0 H VAL A 13 65.700 -24.045 -0.874 1.00 0.00 H new ATOM 0 HA VAL A 13 63.975 -22.410 0.919 1.00 0.00 H new ATOM 0 HB VAL A 13 65.679 -21.566 -1.449 1.00 0.00 H new ATOM 0 HG11 VAL A 13 64.513 -19.367 -1.306 1.00 0.00 H new ATOM 0 HG12 VAL A 13 63.380 -20.670 -1.737 1.00 0.00 H new ATOM 0 HG13 VAL A 13 63.415 -20.036 -0.075 1.00 0.00 H new ATOM 0 HG21 VAL A 13 66.471 -19.832 0.159 1.00 0.00 H new ATOM 0 HG22 VAL A 13 65.394 -20.503 1.407 1.00 0.00 H new ATOM 0 HG23 VAL A 13 66.753 -21.472 0.791 1.00 0.00 H new ATOM 207 N THR A 14 62.023 -22.812 -0.583 1.00 0.00 N ATOM 208 CA THR A 14 60.857 -23.152 -1.406 1.00 0.00 C ATOM 209 C THR A 14 60.059 -21.898 -1.751 1.00 0.00 C ATOM 210 O THR A 14 59.587 -21.749 -2.879 1.00 0.00 O ATOM 211 CB THR A 14 59.964 -24.149 -0.661 1.00 0.00 C ATOM 212 OG1 THR A 14 59.774 -23.708 0.677 1.00 0.00 O ATOM 213 CG2 THR A 14 60.627 -25.529 -0.655 1.00 0.00 C ATOM 0 H THR A 14 61.795 -22.426 0.333 1.00 0.00 H new ATOM 0 HA THR A 14 61.208 -23.606 -2.333 1.00 0.00 H new ATOM 0 HB THR A 14 58.999 -24.214 -1.163 1.00 0.00 H new ATOM 0 HG1 THR A 14 59.201 -24.345 1.153 1.00 0.00 H new ATOM 0 HG21 THR A 14 59.990 -26.236 -0.124 1.00 0.00 H new ATOM 0 HG22 THR A 14 60.770 -25.868 -1.681 1.00 0.00 H new ATOM 0 HG23 THR A 14 61.594 -25.466 -0.155 1.00 0.00 H new ATOM 221 N GLU A 15 59.926 -20.987 -0.786 1.00 0.00 N ATOM 222 CA GLU A 15 59.198 -19.733 -1.011 1.00 0.00 C ATOM 223 C GLU A 15 59.844 -18.611 -0.209 1.00 0.00 C ATOM 224 O GLU A 15 60.476 -18.858 0.817 1.00 0.00 O ATOM 225 CB GLU A 15 57.724 -19.864 -0.607 1.00 0.00 C ATOM 226 CG GLU A 15 57.009 -20.857 -1.528 1.00 0.00 C ATOM 227 CD GLU A 15 55.550 -20.996 -1.107 1.00 0.00 C ATOM 228 OE1 GLU A 15 55.161 -20.328 -0.162 1.00 0.00 O ATOM 229 OE2 GLU A 15 54.844 -21.771 -1.731 1.00 0.00 O ATOM 0 H GLU A 15 60.309 -21.091 0.154 1.00 0.00 H new ATOM 0 HA GLU A 15 59.244 -19.504 -2.076 1.00 0.00 H new ATOM 0 HB2 GLU A 15 57.651 -20.199 0.428 1.00 0.00 H new ATOM 0 HB3 GLU A 15 57.237 -18.891 -0.661 1.00 0.00 H new ATOM 0 HG2 GLU A 15 57.068 -20.515 -2.561 1.00 0.00 H new ATOM 0 HG3 GLU A 15 57.503 -21.828 -1.485 1.00 0.00 H new ATOM 236 N GLY A 16 59.692 -17.371 -0.675 1.00 0.00 N ATOM 237 CA GLY A 16 60.278 -16.230 0.025 1.00 0.00 C ATOM 238 C GLY A 16 59.253 -15.557 0.935 1.00 0.00 C ATOM 239 O GLY A 16 58.326 -14.908 0.455 1.00 0.00 O ATOM 0 H GLY A 16 59.176 -17.134 -1.522 1.00 0.00 H new ATOM 0 HA2 GLY A 16 61.131 -16.562 0.616 1.00 0.00 H new ATOM 0 HA3 GLY A 16 60.654 -15.508 -0.700 1.00 0.00 H new ATOM 243 N GLU A 17 59.435 -15.699 2.253 1.00 0.00 N ATOM 244 CA GLU A 17 58.529 -15.090 3.229 1.00 0.00 C ATOM 245 C GLU A 17 59.312 -14.156 4.142 1.00 0.00 C ATOM 246 O GLU A 17 60.377 -14.515 4.644 1.00 0.00 O ATOM 247 CB GLU A 17 57.857 -16.182 4.064 1.00 0.00 C ATOM 248 CG GLU A 17 56.863 -15.552 5.041 1.00 0.00 C ATOM 249 CD GLU A 17 56.119 -16.649 5.793 1.00 0.00 C ATOM 250 OE1 GLU A 17 56.203 -17.789 5.368 1.00 0.00 O ATOM 251 OE2 GLU A 17 55.480 -16.335 6.784 1.00 0.00 O ATOM 0 H GLU A 17 60.201 -16.230 2.666 1.00 0.00 H new ATOM 0 HA GLU A 17 57.764 -14.521 2.701 1.00 0.00 H new ATOM 0 HB2 GLU A 17 57.342 -16.886 3.411 1.00 0.00 H new ATOM 0 HB3 GLU A 17 58.610 -16.748 4.612 1.00 0.00 H new ATOM 0 HG2 GLU A 17 57.389 -14.907 5.745 1.00 0.00 H new ATOM 0 HG3 GLU A 17 56.155 -14.924 4.500 1.00 0.00 H new ATOM 258 N ILE A 18 58.789 -12.949 4.342 1.00 0.00 N ATOM 259 CA ILE A 18 59.462 -11.956 5.186 1.00 0.00 C ATOM 260 C ILE A 18 58.814 -11.873 6.562 1.00 0.00 C ATOM 261 O ILE A 18 57.626 -11.577 6.685 1.00 0.00 O ATOM 262 CB ILE A 18 59.386 -10.583 4.510 1.00 0.00 C ATOM 263 CG1 ILE A 18 59.979 -10.653 3.083 1.00 0.00 C ATOM 264 CG2 ILE A 18 60.146 -9.555 5.352 1.00 0.00 C ATOM 265 CD1 ILE A 18 61.511 -10.537 3.111 1.00 0.00 C ATOM 0 H ILE A 18 57.908 -12.633 3.936 1.00 0.00 H new ATOM 0 HA ILE A 18 60.501 -12.260 5.312 1.00 0.00 H new ATOM 0 HB ILE A 18 58.342 -10.280 4.433 1.00 0.00 H new ATOM 0 HG12 ILE A 18 59.692 -11.593 2.613 1.00 0.00 H new ATOM 0 HG13 ILE A 18 59.562 -9.851 2.473 1.00 0.00 H new ATOM 0 HG21 ILE A 18 60.092 -8.579 4.871 1.00 0.00 H new ATOM 0 HG22 ILE A 18 59.699 -9.496 6.344 1.00 0.00 H new ATOM 0 HG23 ILE A 18 61.189 -9.858 5.441 1.00 0.00 H new ATOM 0 HD11 ILE A 18 61.899 -10.590 2.094 1.00 0.00 H new ATOM 0 HD12 ILE A 18 61.796 -9.585 3.559 1.00 0.00 H new ATOM 0 HD13 ILE A 18 61.927 -11.354 3.700 1.00 0.00 H new ATOM 277 N VAL A 19 59.608 -12.141 7.602 1.00 0.00 N ATOM 278 CA VAL A 19 59.109 -12.098 8.973 1.00 0.00 C ATOM 279 C VAL A 19 59.335 -10.725 9.613 1.00 0.00 C ATOM 280 O VAL A 19 58.462 -10.219 10.318 1.00 0.00 O ATOM 281 CB VAL A 19 59.811 -13.170 9.806 1.00 0.00 C ATOM 282 CG1 VAL A 19 61.285 -12.803 9.984 1.00 0.00 C ATOM 283 CG2 VAL A 19 59.144 -13.276 11.178 1.00 0.00 C ATOM 0 H VAL A 19 60.594 -12.389 7.519 1.00 0.00 H new ATOM 0 HA VAL A 19 58.036 -12.285 8.946 1.00 0.00 H new ATOM 0 HB VAL A 19 59.736 -14.128 9.291 1.00 0.00 H new ATOM 0 HG11 VAL A 19 61.782 -13.570 10.578 1.00 0.00 H new ATOM 0 HG12 VAL A 19 61.763 -12.735 9.007 1.00 0.00 H new ATOM 0 HG13 VAL A 19 61.362 -11.843 10.494 1.00 0.00 H new ATOM 0 HG21 VAL A 19 59.647 -14.041 11.769 1.00 0.00 H new ATOM 0 HG22 VAL A 19 59.213 -12.317 11.691 1.00 0.00 H new ATOM 0 HG23 VAL A 19 58.095 -13.545 11.053 1.00 0.00 H new ATOM 293 N ARG A 20 60.515 -10.133 9.397 1.00 0.00 N ATOM 294 CA ARG A 20 60.823 -8.830 10.003 1.00 0.00 C ATOM 295 C ARG A 20 61.761 -7.980 9.135 1.00 0.00 C ATOM 296 O ARG A 20 62.790 -8.458 8.662 1.00 0.00 O ATOM 297 CB ARG A 20 61.475 -9.068 11.370 1.00 0.00 C ATOM 298 CG ARG A 20 61.731 -7.734 12.079 1.00 0.00 C ATOM 299 CD ARG A 20 62.328 -8.001 13.462 1.00 0.00 C ATOM 300 NE ARG A 20 61.332 -8.628 14.324 1.00 0.00 N ATOM 301 CZ ARG A 20 61.634 -9.014 15.559 1.00 0.00 C ATOM 302 NH1 ARG A 20 62.845 -8.851 16.016 1.00 0.00 N ATOM 303 NH2 ARG A 20 60.718 -9.559 16.314 1.00 0.00 N ATOM 0 H ARG A 20 61.259 -10.524 8.820 1.00 0.00 H new ATOM 0 HA ARG A 20 59.888 -8.278 10.100 1.00 0.00 H new ATOM 0 HB2 ARG A 20 60.829 -9.695 11.984 1.00 0.00 H new ATOM 0 HB3 ARG A 20 62.414 -9.606 11.243 1.00 0.00 H new ATOM 0 HG2 ARG A 20 62.412 -7.121 11.489 1.00 0.00 H new ATOM 0 HG3 ARG A 20 60.800 -7.175 12.174 1.00 0.00 H new ATOM 0 HD2 ARG A 20 63.201 -8.647 13.371 1.00 0.00 H new ATOM 0 HD3 ARG A 20 62.669 -7.066 13.907 1.00 0.00 H new ATOM 0 HE ARG A 20 60.386 -8.773 13.972 1.00 0.00 H new ATOM 0 HH11 ARG A 20 63.560 -8.427 15.425 1.00 0.00 H new ATOM 0 HH12 ARG A 20 63.077 -9.147 16.964 1.00 0.00 H new ATOM 0 HH21 ARG A 20 59.772 -9.688 15.955 1.00 0.00 H new ATOM 0 HH22 ARG A 20 60.949 -9.856 17.262 1.00 0.00 H new ATOM 317 N TRP A 21 61.409 -6.692 8.988 1.00 0.00 N ATOM 318 CA TRP A 21 62.235 -5.729 8.240 1.00 0.00 C ATOM 319 C TRP A 21 62.955 -4.839 9.263 1.00 0.00 C ATOM 320 O TRP A 21 62.356 -4.457 10.269 1.00 0.00 O ATOM 321 CB TRP A 21 61.369 -4.812 7.337 1.00 0.00 C ATOM 322 CG TRP A 21 60.970 -5.458 6.038 1.00 0.00 C ATOM 323 CD1 TRP A 21 59.692 -5.744 5.686 1.00 0.00 C ATOM 324 CD2 TRP A 21 61.795 -5.839 4.889 1.00 0.00 C ATOM 325 NE1 TRP A 21 59.680 -6.272 4.410 1.00 0.00 N ATOM 326 CE2 TRP A 21 60.950 -6.358 3.879 1.00 0.00 C ATOM 327 CE3 TRP A 21 63.183 -5.798 4.623 1.00 0.00 C ATOM 328 CZ2 TRP A 21 61.452 -6.809 2.657 1.00 0.00 C ATOM 329 CZ3 TRP A 21 63.691 -6.249 3.388 1.00 0.00 C ATOM 330 CH2 TRP A 21 62.825 -6.755 2.409 1.00 0.00 C ATOM 0 H TRP A 21 60.556 -6.293 9.378 1.00 0.00 H new ATOM 0 HA TRP A 21 62.930 -6.281 7.607 1.00 0.00 H new ATOM 0 HB2 TRP A 21 60.470 -4.522 7.881 1.00 0.00 H new ATOM 0 HB3 TRP A 21 61.922 -3.897 7.125 1.00 0.00 H new ATOM 0 HD1 TRP A 21 58.822 -5.584 6.305 1.00 0.00 H new ATOM 0 HE1 TRP A 21 58.834 -6.563 3.920 1.00 0.00 H new ATOM 0 HE3 TRP A 21 63.860 -5.418 5.373 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 60.781 -7.198 1.906 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 64.753 -6.204 3.195 1.00 0.00 H new ATOM 0 HH2 TRP A 21 63.219 -7.102 1.465 1.00 0.00 H new ATOM 341 N ASP A 22 64.227 -4.500 9.019 1.00 0.00 N ATOM 342 CA ASP A 22 64.980 -3.638 9.955 1.00 0.00 C ATOM 343 C ASP A 22 65.454 -2.360 9.271 1.00 0.00 C ATOM 344 O ASP A 22 66.328 -1.657 9.780 1.00 0.00 O ATOM 345 CB ASP A 22 66.177 -4.384 10.540 1.00 0.00 C ATOM 346 CG ASP A 22 66.867 -3.505 11.577 1.00 0.00 C ATOM 347 OD1 ASP A 22 66.220 -2.595 12.072 1.00 0.00 O ATOM 348 OD2 ASP A 22 68.027 -3.752 11.862 1.00 0.00 O ATOM 0 H ASP A 22 64.754 -4.800 8.199 1.00 0.00 H new ATOM 0 HA ASP A 22 64.302 -3.367 10.764 1.00 0.00 H new ATOM 0 HB2 ASP A 22 65.849 -5.317 10.999 1.00 0.00 H new ATOM 0 HB3 ASP A 22 66.877 -4.648 9.747 1.00 0.00 H new ATOM 353 N VAL A 23 64.857 -2.054 8.123 1.00 0.00 N ATOM 354 CA VAL A 23 65.205 -0.847 7.373 1.00 0.00 C ATOM 355 C VAL A 23 63.936 -0.107 6.961 1.00 0.00 C ATOM 356 O VAL A 23 62.855 -0.695 6.909 1.00 0.00 O ATOM 357 CB VAL A 23 66.038 -1.227 6.140 1.00 0.00 C ATOM 358 CG1 VAL A 23 67.108 -2.238 6.566 1.00 0.00 C ATOM 359 CG2 VAL A 23 65.138 -1.859 5.064 1.00 0.00 C ATOM 0 H VAL A 23 64.130 -2.624 7.690 1.00 0.00 H new ATOM 0 HA VAL A 23 65.799 -0.186 8.004 1.00 0.00 H new ATOM 0 HB VAL A 23 66.504 -0.333 5.726 1.00 0.00 H new ATOM 0 HG11 VAL A 23 67.709 -2.518 5.701 1.00 0.00 H new ATOM 0 HG12 VAL A 23 67.750 -1.790 7.324 1.00 0.00 H new ATOM 0 HG13 VAL A 23 66.627 -3.126 6.977 1.00 0.00 H new ATOM 0 HG21 VAL A 23 65.741 -2.124 4.195 1.00 0.00 H new ATOM 0 HG22 VAL A 23 64.666 -2.756 5.465 1.00 0.00 H new ATOM 0 HG23 VAL A 23 64.369 -1.146 4.768 1.00 0.00 H new ATOM 369 N LYS A 24 64.069 1.192 6.694 1.00 0.00 N ATOM 370 CA LYS A 24 62.925 2.020 6.307 1.00 0.00 C ATOM 371 C LYS A 24 63.259 2.851 5.074 1.00 0.00 C ATOM 372 O LYS A 24 64.343 3.428 4.976 1.00 0.00 O ATOM 373 CB LYS A 24 62.572 2.955 7.467 1.00 0.00 C ATOM 374 CG LYS A 24 62.093 2.130 8.660 1.00 0.00 C ATOM 375 CD LYS A 24 61.810 3.056 9.844 1.00 0.00 C ATOM 376 CE LYS A 24 61.306 2.225 11.025 1.00 0.00 C ATOM 377 NZ LYS A 24 61.047 3.115 12.192 1.00 0.00 N ATOM 0 H LYS A 24 64.956 1.694 6.738 1.00 0.00 H new ATOM 0 HA LYS A 24 62.080 1.372 6.073 1.00 0.00 H new ATOM 0 HB2 LYS A 24 63.442 3.548 7.748 1.00 0.00 H new ATOM 0 HB3 LYS A 24 61.795 3.655 7.160 1.00 0.00 H new ATOM 0 HG2 LYS A 24 61.192 1.577 8.394 1.00 0.00 H new ATOM 0 HG3 LYS A 24 62.849 1.394 8.933 1.00 0.00 H new ATOM 0 HD2 LYS A 24 62.715 3.595 10.124 1.00 0.00 H new ATOM 0 HD3 LYS A 24 61.067 3.803 9.567 1.00 0.00 H new ATOM 0 HE2 LYS A 24 60.393 1.698 10.748 1.00 0.00 H new ATOM 0 HE3 LYS A 24 62.044 1.467 11.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 60.705 2.547 12.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 61.927 3.599 12.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 60.328 3.822 11.937 1.00 0.00 H new ATOM 391 N GLU A 25 62.323 2.913 4.134 1.00 0.00 N ATOM 392 CA GLU A 25 62.534 3.682 2.912 1.00 0.00 C ATOM 393 C GLU A 25 62.910 5.129 3.232 1.00 0.00 C ATOM 394 O GLU A 25 62.361 5.737 4.149 1.00 0.00 O ATOM 395 CB GLU A 25 61.270 3.657 2.037 1.00 0.00 C ATOM 396 CG GLU A 25 60.027 4.092 2.854 1.00 0.00 C ATOM 397 CD GLU A 25 59.774 5.593 2.700 1.00 0.00 C ATOM 398 OE1 GLU A 25 60.724 6.308 2.429 1.00 0.00 O ATOM 399 OE2 GLU A 25 58.634 5.999 2.848 1.00 0.00 O ATOM 0 H GLU A 25 61.419 2.445 4.192 1.00 0.00 H new ATOM 0 HA GLU A 25 63.357 3.221 2.366 1.00 0.00 H new ATOM 0 HB2 GLU A 25 61.400 4.322 1.183 1.00 0.00 H new ATOM 0 HB3 GLU A 25 61.117 2.654 1.640 1.00 0.00 H new ATOM 0 HG2 GLU A 25 59.152 3.535 2.518 1.00 0.00 H new ATOM 0 HG3 GLU A 25 60.175 3.850 3.906 1.00 0.00 H new ATOM 406 N GLY A 26 63.852 5.671 2.459 1.00 0.00 N ATOM 407 CA GLY A 26 64.301 7.050 2.655 1.00 0.00 C ATOM 408 C GLY A 26 65.441 7.139 3.668 1.00 0.00 C ATOM 409 O GLY A 26 65.850 8.235 4.051 1.00 0.00 O ATOM 0 H GLY A 26 64.317 5.179 1.696 1.00 0.00 H new ATOM 0 HA2 GLY A 26 64.629 7.464 1.702 1.00 0.00 H new ATOM 0 HA3 GLY A 26 63.464 7.659 2.996 1.00 0.00 H new ATOM 413 N ASP A 27 65.951 5.985 4.106 1.00 0.00 N ATOM 414 CA ASP A 27 67.050 5.953 5.082 1.00 0.00 C ATOM 415 C ASP A 27 68.299 5.323 4.469 1.00 0.00 C ATOM 416 O ASP A 27 68.205 4.459 3.598 1.00 0.00 O ATOM 417 CB ASP A 27 66.631 5.152 6.312 1.00 0.00 C ATOM 418 CG ASP A 27 67.653 5.336 7.429 1.00 0.00 C ATOM 419 OD1 ASP A 27 68.057 6.465 7.653 1.00 0.00 O ATOM 420 OD2 ASP A 27 68.016 4.347 8.043 1.00 0.00 O ATOM 0 H ASP A 27 65.626 5.066 3.805 1.00 0.00 H new ATOM 0 HA ASP A 27 67.279 6.978 5.373 1.00 0.00 H new ATOM 0 HB2 ASP A 27 65.648 5.478 6.651 1.00 0.00 H new ATOM 0 HB3 ASP A 27 66.546 4.096 6.056 1.00 0.00 H new ATOM 425 N MET A 28 69.469 5.761 4.932 1.00 0.00 N ATOM 426 CA MET A 28 70.735 5.231 4.418 1.00 0.00 C ATOM 427 C MET A 28 71.101 3.929 5.127 1.00 0.00 C ATOM 428 O MET A 28 70.795 3.744 6.304 1.00 0.00 O ATOM 429 CB MET A 28 71.859 6.252 4.624 1.00 0.00 C ATOM 430 CG MET A 28 71.560 7.524 3.824 1.00 0.00 C ATOM 431 SD MET A 28 71.590 7.154 2.049 1.00 0.00 S ATOM 432 CE MET A 28 73.373 6.880 1.881 1.00 0.00 C ATOM 0 H MET A 28 69.569 6.474 5.655 1.00 0.00 H new ATOM 0 HA MET A 28 70.612 5.034 3.353 1.00 0.00 H new ATOM 0 HB2 MET A 28 71.955 6.492 5.683 1.00 0.00 H new ATOM 0 HB3 MET A 28 72.811 5.827 4.306 1.00 0.00 H new ATOM 0 HG2 MET A 28 70.585 7.921 4.106 1.00 0.00 H new ATOM 0 HG3 MET A 28 72.297 8.293 4.057 1.00 0.00 H new ATOM 0 HE1 MET A 28 73.751 7.453 1.035 1.00 0.00 H new ATOM 0 HE2 MET A 28 73.878 7.202 2.792 1.00 0.00 H new ATOM 0 HE3 MET A 28 73.564 5.820 1.715 1.00 0.00 H new ATOM 442 N VAL A 29 71.759 3.026 4.397 1.00 0.00 N ATOM 443 CA VAL A 29 72.171 1.733 4.954 1.00 0.00 C ATOM 444 C VAL A 29 73.691 1.595 4.908 1.00 0.00 C ATOM 445 O VAL A 29 74.321 1.866 3.886 1.00 0.00 O ATOM 446 CB VAL A 29 71.525 0.603 4.145 1.00 0.00 C ATOM 447 CG1 VAL A 29 72.118 -0.748 4.551 1.00 0.00 C ATOM 448 CG2 VAL A 29 70.020 0.598 4.406 1.00 0.00 C ATOM 0 H VAL A 29 72.018 3.165 3.420 1.00 0.00 H new ATOM 0 HA VAL A 29 71.846 1.673 5.993 1.00 0.00 H new ATOM 0 HB VAL A 29 71.719 0.767 3.085 1.00 0.00 H new ATOM 0 HG11 VAL A 29 71.649 -1.541 3.968 1.00 0.00 H new ATOM 0 HG12 VAL A 29 73.192 -0.745 4.363 1.00 0.00 H new ATOM 0 HG13 VAL A 29 71.936 -0.921 5.612 1.00 0.00 H new ATOM 0 HG21 VAL A 29 69.554 -0.204 3.833 1.00 0.00 H new ATOM 0 HG22 VAL A 29 69.836 0.440 5.469 1.00 0.00 H new ATOM 0 HG23 VAL A 29 69.595 1.555 4.103 1.00 0.00 H new ATOM 458 N GLU A 30 74.273 1.172 6.029 1.00 0.00 N ATOM 459 CA GLU A 30 75.723 1.000 6.127 1.00 0.00 C ATOM 460 C GLU A 30 76.114 -0.457 5.870 1.00 0.00 C ATOM 461 O GLU A 30 75.304 -1.369 6.036 1.00 0.00 O ATOM 462 CB GLU A 30 76.203 1.440 7.512 1.00 0.00 C ATOM 463 CG GLU A 30 76.038 2.955 7.642 1.00 0.00 C ATOM 464 CD GLU A 30 76.402 3.407 9.052 1.00 0.00 C ATOM 465 OE1 GLU A 30 76.836 2.572 9.829 1.00 0.00 O ATOM 466 OE2 GLU A 30 76.241 4.583 9.332 1.00 0.00 O ATOM 0 H GLU A 30 73.764 0.942 6.882 1.00 0.00 H new ATOM 0 HA GLU A 30 76.201 1.620 5.368 1.00 0.00 H new ATOM 0 HB2 GLU A 30 75.630 0.932 8.287 1.00 0.00 H new ATOM 0 HB3 GLU A 30 77.247 1.162 7.654 1.00 0.00 H new ATOM 0 HG2 GLU A 30 76.674 3.461 6.915 1.00 0.00 H new ATOM 0 HG3 GLU A 30 75.009 3.236 7.417 1.00 0.00 H new ATOM 473 N LYS A 31 77.355 -0.657 5.437 1.00 0.00 N ATOM 474 CA LYS A 31 77.853 -1.994 5.123 1.00 0.00 C ATOM 475 C LYS A 31 77.983 -2.863 6.377 1.00 0.00 C ATOM 476 O LYS A 31 78.516 -2.427 7.397 1.00 0.00 O ATOM 477 CB LYS A 31 79.217 -1.876 4.437 1.00 0.00 C ATOM 478 CG LYS A 31 79.654 -3.239 3.897 1.00 0.00 C ATOM 479 CD LYS A 31 80.968 -3.088 3.130 1.00 0.00 C ATOM 480 CE LYS A 31 81.393 -4.450 2.577 1.00 0.00 C ATOM 481 NZ LYS A 31 80.370 -4.926 1.603 1.00 0.00 N ATOM 0 H LYS A 31 78.035 0.090 5.295 1.00 0.00 H new ATOM 0 HA LYS A 31 77.134 -2.475 4.460 1.00 0.00 H new ATOM 0 HB2 LYS A 31 79.162 -1.154 3.622 1.00 0.00 H new ATOM 0 HB3 LYS A 31 79.957 -1.502 5.144 1.00 0.00 H new ATOM 0 HG2 LYS A 31 79.780 -3.944 4.719 1.00 0.00 H new ATOM 0 HG3 LYS A 31 78.884 -3.646 3.242 1.00 0.00 H new ATOM 0 HD2 LYS A 31 80.846 -2.374 2.315 1.00 0.00 H new ATOM 0 HD3 LYS A 31 81.742 -2.692 3.787 1.00 0.00 H new ATOM 0 HE2 LYS A 31 82.366 -4.371 2.091 1.00 0.00 H new ATOM 0 HE3 LYS A 31 81.500 -5.168 3.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 80.794 -5.638 0.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 79.572 -5.350 2.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 80.030 -4.123 1.037 1.00 0.00 H new ATOM 495 N ASP A 32 77.501 -4.102 6.274 1.00 0.00 N ATOM 496 CA ASP A 32 77.569 -5.058 7.377 1.00 0.00 C ATOM 497 C ASP A 32 76.875 -4.539 8.636 1.00 0.00 C ATOM 498 O ASP A 32 77.313 -4.829 9.749 1.00 0.00 O ATOM 499 CB ASP A 32 79.027 -5.392 7.703 1.00 0.00 C ATOM 500 CG ASP A 32 79.632 -6.241 6.591 1.00 0.00 C ATOM 501 OD1 ASP A 32 78.877 -6.730 5.764 1.00 0.00 O ATOM 502 OD2 ASP A 32 80.843 -6.396 6.580 1.00 0.00 O ATOM 0 H ASP A 32 77.057 -4.468 5.432 1.00 0.00 H new ATOM 0 HA ASP A 32 77.046 -5.957 7.050 1.00 0.00 H new ATOM 0 HB2 ASP A 32 79.601 -4.473 7.822 1.00 0.00 H new ATOM 0 HB3 ASP A 32 79.082 -5.927 8.651 1.00 0.00 H new ATOM 507 N GLN A 33 75.791 -3.784 8.467 1.00 0.00 N ATOM 508 CA GLN A 33 75.056 -3.251 9.619 1.00 0.00 C ATOM 509 C GLN A 33 73.550 -3.249 9.351 1.00 0.00 C ATOM 510 O GLN A 33 73.006 -2.248 8.888 1.00 0.00 O ATOM 511 CB GLN A 33 75.519 -1.823 9.917 1.00 0.00 C ATOM 512 CG GLN A 33 76.939 -1.848 10.485 1.00 0.00 C ATOM 513 CD GLN A 33 77.436 -0.426 10.731 1.00 0.00 C ATOM 514 OE1 GLN A 33 77.629 0.337 9.786 1.00 0.00 O ATOM 515 NE2 GLN A 33 77.660 -0.027 11.953 1.00 0.00 N ATOM 0 H GLN A 33 75.404 -3.529 7.558 1.00 0.00 H new ATOM 0 HA GLN A 33 75.259 -3.891 10.478 1.00 0.00 H new ATOM 0 HB2 GLN A 33 75.492 -1.224 9.006 1.00 0.00 H new ATOM 0 HB3 GLN A 33 74.841 -1.352 10.628 1.00 0.00 H new ATOM 0 HG2 GLN A 33 76.955 -2.413 11.417 1.00 0.00 H new ATOM 0 HG3 GLN A 33 77.607 -2.359 9.791 1.00 0.00 H new ATOM 0 HE21 GLN A 33 77.499 -0.662 12.735 1.00 0.00 H new ATOM 0 HE22 GLN A 33 77.996 0.920 12.127 1.00 0.00 H new ATOM 524 N ASP A 34 72.881 -4.366 9.653 1.00 0.00 N ATOM 525 CA ASP A 34 71.441 -4.465 9.444 1.00 0.00 C ATOM 526 C ASP A 34 70.926 -5.788 9.994 1.00 0.00 C ATOM 527 O ASP A 34 71.711 -6.676 10.329 1.00 0.00 O ATOM 528 CB ASP A 34 71.110 -4.366 7.952 1.00 0.00 C ATOM 529 CG ASP A 34 69.604 -4.225 7.756 1.00 0.00 C ATOM 530 OD1 ASP A 34 68.942 -3.791 8.683 1.00 0.00 O ATOM 531 OD2 ASP A 34 69.135 -4.551 6.677 1.00 0.00 O ATOM 0 H ASP A 34 73.313 -5.205 10.040 1.00 0.00 H new ATOM 0 HA ASP A 34 70.957 -3.642 9.969 1.00 0.00 H new ATOM 0 HB2 ASP A 34 71.623 -3.510 7.514 1.00 0.00 H new ATOM 0 HB3 ASP A 34 71.470 -5.254 7.432 1.00 0.00 H new ATOM 536 N LEU A 35 69.606 -5.927 10.082 1.00 0.00 N ATOM 537 CA LEU A 35 69.005 -7.164 10.588 1.00 0.00 C ATOM 538 C LEU A 35 67.823 -7.580 9.724 1.00 0.00 C ATOM 539 O LEU A 35 66.708 -7.099 9.897 1.00 0.00 O ATOM 540 CB LEU A 35 68.539 -6.976 12.034 1.00 0.00 C ATOM 541 CG LEU A 35 69.750 -6.776 12.955 1.00 0.00 C ATOM 542 CD1 LEU A 35 69.256 -6.340 14.338 1.00 0.00 C ATOM 543 CD2 LEU A 35 70.554 -8.088 13.087 1.00 0.00 C ATOM 0 H LEU A 35 68.935 -5.208 9.813 1.00 0.00 H new ATOM 0 HA LEU A 35 69.762 -7.947 10.552 1.00 0.00 H new ATOM 0 HB2 LEU A 35 67.875 -6.115 12.101 1.00 0.00 H new ATOM 0 HB3 LEU A 35 67.967 -7.846 12.356 1.00 0.00 H new ATOM 0 HG LEU A 35 70.400 -6.012 12.528 1.00 0.00 H new ATOM 0 HD11 LEU A 35 70.110 -6.195 15.000 1.00 0.00 H new ATOM 0 HD12 LEU A 35 68.703 -5.405 14.249 1.00 0.00 H new ATOM 0 HD13 LEU A 35 68.603 -7.109 14.750 1.00 0.00 H new ATOM 0 HD21 LEU A 35 71.409 -7.926 13.744 1.00 0.00 H new ATOM 0 HD22 LEU A 35 69.916 -8.865 13.507 1.00 0.00 H new ATOM 0 HD23 LEU A 35 70.906 -8.400 12.104 1.00 0.00 H new ATOM 555 N VAL A 36 68.079 -8.499 8.803 1.00 0.00 N ATOM 556 CA VAL A 36 67.042 -9.016 7.909 1.00 0.00 C ATOM 557 C VAL A 36 66.884 -10.518 8.139 1.00 0.00 C ATOM 558 O VAL A 36 67.867 -11.257 8.189 1.00 0.00 O ATOM 559 CB VAL A 36 67.410 -8.709 6.433 1.00 0.00 C ATOM 560 CG1 VAL A 36 68.938 -8.678 6.283 1.00 0.00 C ATOM 561 CG2 VAL A 36 66.834 -9.790 5.499 1.00 0.00 C ATOM 0 H VAL A 36 69.002 -8.907 8.652 1.00 0.00 H new ATOM 0 HA VAL A 36 66.091 -8.528 8.123 1.00 0.00 H new ATOM 0 HB VAL A 36 66.988 -7.742 6.161 1.00 0.00 H new ATOM 0 HG11 VAL A 36 69.198 -8.462 5.247 1.00 0.00 H new ATOM 0 HG12 VAL A 36 69.351 -7.904 6.929 1.00 0.00 H new ATOM 0 HG13 VAL A 36 69.351 -9.646 6.567 1.00 0.00 H new ATOM 0 HG21 VAL A 36 67.101 -9.560 4.468 1.00 0.00 H new ATOM 0 HG22 VAL A 36 67.244 -10.762 5.772 1.00 0.00 H new ATOM 0 HG23 VAL A 36 65.749 -9.814 5.596 1.00 0.00 H new ATOM 571 N GLU A 37 65.635 -10.955 8.275 1.00 0.00 N ATOM 572 CA GLU A 37 65.333 -12.369 8.495 1.00 0.00 C ATOM 573 C GLU A 37 64.353 -12.871 7.442 1.00 0.00 C ATOM 574 O GLU A 37 63.278 -12.299 7.258 1.00 0.00 O ATOM 575 CB GLU A 37 64.723 -12.563 9.885 1.00 0.00 C ATOM 576 CG GLU A 37 65.778 -12.292 10.959 1.00 0.00 C ATOM 577 CD GLU A 37 65.147 -12.420 12.340 1.00 0.00 C ATOM 578 OE1 GLU A 37 63.952 -12.653 12.403 1.00 0.00 O ATOM 579 OE2 GLU A 37 65.865 -12.279 13.316 1.00 0.00 O ATOM 0 H GLU A 37 64.814 -10.351 8.237 1.00 0.00 H new ATOM 0 HA GLU A 37 66.261 -12.936 8.421 1.00 0.00 H new ATOM 0 HB2 GLU A 37 63.876 -11.890 10.017 1.00 0.00 H new ATOM 0 HB3 GLU A 37 64.342 -13.579 9.986 1.00 0.00 H new ATOM 0 HG2 GLU A 37 66.603 -12.997 10.858 1.00 0.00 H new ATOM 0 HG3 GLU A 37 66.195 -11.293 10.830 1.00 0.00 H new ATOM 586 N VAL A 38 64.728 -13.953 6.760 1.00 0.00 N ATOM 587 CA VAL A 38 63.873 -14.548 5.727 1.00 0.00 C ATOM 588 C VAL A 38 63.597 -16.008 6.071 1.00 0.00 C ATOM 589 O VAL A 38 64.516 -16.793 6.308 1.00 0.00 O ATOM 590 CB VAL A 38 64.545 -14.425 4.349 1.00 0.00 C ATOM 591 CG1 VAL A 38 66.002 -14.884 4.422 1.00 0.00 C ATOM 592 CG2 VAL A 38 63.800 -15.269 3.309 1.00 0.00 C ATOM 0 H VAL A 38 65.615 -14.436 6.902 1.00 0.00 H new ATOM 0 HA VAL A 38 62.924 -14.014 5.689 1.00 0.00 H new ATOM 0 HB VAL A 38 64.512 -13.377 4.051 1.00 0.00 H new ATOM 0 HG11 VAL A 38 66.463 -14.790 3.439 1.00 0.00 H new ATOM 0 HG12 VAL A 38 66.543 -14.264 5.137 1.00 0.00 H new ATOM 0 HG13 VAL A 38 66.040 -15.925 4.743 1.00 0.00 H new ATOM 0 HG21 VAL A 38 64.290 -15.169 2.341 1.00 0.00 H new ATOM 0 HG22 VAL A 38 63.810 -16.315 3.615 1.00 0.00 H new ATOM 0 HG23 VAL A 38 62.769 -14.924 3.231 1.00 0.00 H new ATOM 602 N MET A 39 62.313 -16.349 6.117 1.00 0.00 N ATOM 603 CA MET A 39 61.880 -17.707 6.456 1.00 0.00 C ATOM 604 C MET A 39 61.391 -18.451 5.219 1.00 0.00 C ATOM 605 O MET A 39 60.673 -17.894 4.389 1.00 0.00 O ATOM 606 CB MET A 39 60.748 -17.640 7.482 1.00 0.00 C ATOM 607 CG MET A 39 60.358 -19.053 7.919 1.00 0.00 C ATOM 608 SD MET A 39 59.117 -18.944 9.234 1.00 0.00 S ATOM 609 CE MET A 39 57.799 -18.189 8.249 1.00 0.00 C ATOM 0 H MET A 39 61.548 -15.702 5.923 1.00 0.00 H new ATOM 0 HA MET A 39 62.733 -18.245 6.871 1.00 0.00 H new ATOM 0 HB2 MET A 39 61.063 -17.056 8.347 1.00 0.00 H new ATOM 0 HB3 MET A 39 59.885 -17.132 7.052 1.00 0.00 H new ATOM 0 HG2 MET A 39 59.961 -19.612 7.072 1.00 0.00 H new ATOM 0 HG3 MET A 39 61.236 -19.593 8.274 1.00 0.00 H new ATOM 0 HE1 MET A 39 56.831 -18.441 8.683 1.00 0.00 H new ATOM 0 HE2 MET A 39 57.924 -17.106 8.243 1.00 0.00 H new ATOM 0 HE3 MET A 39 57.848 -18.565 7.227 1.00 0.00 H new ATOM 619 N THR A 40 61.779 -19.722 5.116 1.00 0.00 N ATOM 620 CA THR A 40 61.374 -20.567 3.989 1.00 0.00 C ATOM 621 C THR A 40 60.258 -21.515 4.424 1.00 0.00 C ATOM 622 O THR A 40 59.203 -21.069 4.878 1.00 0.00 O ATOM 623 CB THR A 40 62.576 -21.365 3.473 1.00 0.00 C ATOM 624 OG1 THR A 40 62.125 -22.376 2.580 1.00 0.00 O ATOM 625 CG2 THR A 40 63.322 -22.007 4.645 1.00 0.00 C ATOM 0 H THR A 40 62.374 -20.191 5.799 1.00 0.00 H new ATOM 0 HA THR A 40 61.003 -19.933 3.184 1.00 0.00 H new ATOM 0 HB THR A 40 63.254 -20.692 2.949 1.00 0.00 H new ATOM 0 HG1 THR A 40 62.734 -23.142 2.619 1.00 0.00 H new ATOM 0 HG21 THR A 40 64.175 -22.572 4.268 1.00 0.00 H new ATOM 0 HG22 THR A 40 63.673 -21.229 5.323 1.00 0.00 H new ATOM 0 HG23 THR A 40 62.650 -22.678 5.180 1.00 0.00 H new ATOM 633 N ASP A 41 60.492 -22.815 4.296 1.00 0.00 N ATOM 634 CA ASP A 41 59.484 -23.802 4.700 1.00 0.00 C ATOM 635 C ASP A 41 59.241 -23.707 6.204 1.00 0.00 C ATOM 636 O ASP A 41 58.098 -23.660 6.655 1.00 0.00 O ATOM 637 CB ASP A 41 59.966 -25.209 4.344 1.00 0.00 C ATOM 638 CG ASP A 41 58.924 -26.242 4.756 1.00 0.00 C ATOM 639 OD1 ASP A 41 57.961 -25.862 5.400 1.00 0.00 O ATOM 640 OD2 ASP A 41 59.106 -27.402 4.423 1.00 0.00 O ATOM 0 H ASP A 41 61.354 -23.212 3.923 1.00 0.00 H new ATOM 0 HA ASP A 41 58.552 -23.597 4.173 1.00 0.00 H new ATOM 0 HB2 ASP A 41 60.152 -25.277 3.272 1.00 0.00 H new ATOM 0 HB3 ASP A 41 60.911 -25.415 4.846 1.00 0.00 H new ATOM 645 N LYS A 42 60.331 -23.653 6.967 1.00 0.00 N ATOM 646 CA LYS A 42 60.248 -23.543 8.424 1.00 0.00 C ATOM 647 C LYS A 42 61.651 -23.430 9.025 1.00 0.00 C ATOM 648 O LYS A 42 62.058 -24.279 9.817 1.00 0.00 O ATOM 649 CB LYS A 42 59.551 -24.774 9.026 1.00 0.00 C ATOM 650 CG LYS A 42 59.147 -24.469 10.470 1.00 0.00 C ATOM 651 CD LYS A 42 58.383 -25.658 11.053 1.00 0.00 C ATOM 652 CE LYS A 42 57.950 -25.327 12.482 1.00 0.00 C ATOM 653 NZ LYS A 42 57.187 -26.474 13.050 1.00 0.00 N ATOM 0 H LYS A 42 61.283 -23.684 6.601 1.00 0.00 H new ATOM 0 HA LYS A 42 59.669 -22.650 8.659 1.00 0.00 H new ATOM 0 HB2 LYS A 42 58.671 -25.033 8.437 1.00 0.00 H new ATOM 0 HB3 LYS A 42 60.219 -25.635 8.997 1.00 0.00 H new ATOM 0 HG2 LYS A 42 60.033 -24.264 11.070 1.00 0.00 H new ATOM 0 HG3 LYS A 42 58.526 -23.574 10.503 1.00 0.00 H new ATOM 0 HD2 LYS A 42 57.511 -25.881 10.439 1.00 0.00 H new ATOM 0 HD3 LYS A 42 59.013 -26.548 11.048 1.00 0.00 H new ATOM 0 HE2 LYS A 42 58.824 -25.117 13.099 1.00 0.00 H new ATOM 0 HE3 LYS A 42 57.333 -24.428 12.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 56.893 -26.248 14.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 56.345 -26.654 12.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 57.790 -27.322 13.059 1.00 0.00 H new ATOM 667 N VAL A 43 62.389 -22.382 8.644 1.00 0.00 N ATOM 668 CA VAL A 43 63.745 -22.179 9.157 1.00 0.00 C ATOM 669 C VAL A 43 64.077 -20.691 9.201 1.00 0.00 C ATOM 670 O VAL A 43 63.597 -19.915 8.376 1.00 0.00 O ATOM 671 CB VAL A 43 64.758 -22.892 8.255 1.00 0.00 C ATOM 672 CG1 VAL A 43 66.167 -22.716 8.826 1.00 0.00 C ATOM 673 CG2 VAL A 43 64.425 -24.383 8.178 1.00 0.00 C ATOM 0 H VAL A 43 62.073 -21.668 7.988 1.00 0.00 H new ATOM 0 HA VAL A 43 63.798 -22.591 10.165 1.00 0.00 H new ATOM 0 HB VAL A 43 64.712 -22.459 7.256 1.00 0.00 H new ATOM 0 HG11 VAL A 43 66.886 -23.224 8.183 1.00 0.00 H new ATOM 0 HG12 VAL A 43 66.410 -21.655 8.875 1.00 0.00 H new ATOM 0 HG13 VAL A 43 66.210 -23.144 9.827 1.00 0.00 H new ATOM 0 HG21 VAL A 43 65.149 -24.885 7.535 1.00 0.00 H new ATOM 0 HG22 VAL A 43 64.465 -24.817 9.177 1.00 0.00 H new ATOM 0 HG23 VAL A 43 63.424 -24.511 7.766 1.00 0.00 H new ATOM 683 N THR A 44 64.916 -20.299 10.162 1.00 0.00 N ATOM 684 CA THR A 44 65.322 -18.897 10.293 1.00 0.00 C ATOM 685 C THR A 44 66.722 -18.719 9.715 1.00 0.00 C ATOM 686 O THR A 44 67.685 -19.323 10.192 1.00 0.00 O ATOM 687 CB THR A 44 65.317 -18.485 11.772 1.00 0.00 C ATOM 688 OG1 THR A 44 64.159 -19.014 12.400 1.00 0.00 O ATOM 689 CG2 THR A 44 65.309 -16.958 11.903 1.00 0.00 C ATOM 0 H THR A 44 65.325 -20.926 10.855 1.00 0.00 H new ATOM 0 HA THR A 44 64.619 -18.267 9.748 1.00 0.00 H new ATOM 0 HB THR A 44 66.215 -18.875 12.250 1.00 0.00 H new ATOM 0 HG1 THR A 44 64.152 -18.755 13.345 1.00 0.00 H new ATOM 0 HG21 THR A 44 65.306 -16.683 12.958 1.00 0.00 H new ATOM 0 HG22 THR A 44 66.198 -16.547 11.424 1.00 0.00 H new ATOM 0 HG23 THR A 44 64.418 -16.556 11.420 1.00 0.00 H new ATOM 697 N VAL A 45 66.821 -17.901 8.674 1.00 0.00 N ATOM 698 CA VAL A 45 68.103 -17.653 8.001 1.00 0.00 C ATOM 699 C VAL A 45 68.474 -16.169 8.064 1.00 0.00 C ATOM 700 O VAL A 45 67.780 -15.321 7.506 1.00 0.00 O ATOM 701 CB VAL A 45 67.986 -18.097 6.530 1.00 0.00 C ATOM 702 CG1 VAL A 45 69.365 -18.415 5.937 1.00 0.00 C ATOM 703 CG2 VAL A 45 67.108 -19.351 6.450 1.00 0.00 C ATOM 0 H VAL A 45 66.032 -17.395 8.273 1.00 0.00 H new ATOM 0 HA VAL A 45 68.885 -18.220 8.505 1.00 0.00 H new ATOM 0 HB VAL A 45 67.541 -17.282 5.959 1.00 0.00 H new ATOM 0 HG11 VAL A 45 69.252 -18.726 4.898 1.00 0.00 H new ATOM 0 HG12 VAL A 45 69.995 -17.527 5.983 1.00 0.00 H new ATOM 0 HG13 VAL A 45 69.830 -19.219 6.507 1.00 0.00 H new ATOM 0 HG21 VAL A 45 67.022 -19.669 5.411 1.00 0.00 H new ATOM 0 HG22 VAL A 45 67.560 -20.150 7.038 1.00 0.00 H new ATOM 0 HG23 VAL A 45 66.117 -19.127 6.844 1.00 0.00 H new ATOM 713 N LYS A 46 69.588 -15.872 8.730 1.00 0.00 N ATOM 714 CA LYS A 46 70.072 -14.494 8.852 1.00 0.00 C ATOM 715 C LYS A 46 71.139 -14.226 7.794 1.00 0.00 C ATOM 716 O LYS A 46 72.030 -15.048 7.581 1.00 0.00 O ATOM 717 CB LYS A 46 70.660 -14.271 10.247 1.00 0.00 C ATOM 718 CG LYS A 46 71.089 -12.809 10.391 1.00 0.00 C ATOM 719 CD LYS A 46 71.583 -12.556 11.816 1.00 0.00 C ATOM 720 CE LYS A 46 71.996 -11.089 11.958 1.00 0.00 C ATOM 721 NZ LYS A 46 72.497 -10.848 13.341 1.00 0.00 N ATOM 0 H LYS A 46 70.174 -16.566 9.194 1.00 0.00 H new ATOM 0 HA LYS A 46 69.238 -13.809 8.702 1.00 0.00 H new ATOM 0 HB2 LYS A 46 69.922 -14.521 11.009 1.00 0.00 H new ATOM 0 HB3 LYS A 46 71.515 -14.929 10.403 1.00 0.00 H new ATOM 0 HG2 LYS A 46 71.879 -12.579 9.676 1.00 0.00 H new ATOM 0 HG3 LYS A 46 70.251 -12.150 10.164 1.00 0.00 H new ATOM 0 HD2 LYS A 46 70.797 -12.795 12.533 1.00 0.00 H new ATOM 0 HD3 LYS A 46 72.428 -13.207 12.041 1.00 0.00 H new ATOM 0 HE2 LYS A 46 72.771 -10.846 11.231 1.00 0.00 H new ATOM 0 HE3 LYS A 46 71.147 -10.439 11.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 72.778 -9.852 13.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 71.745 -11.065 14.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 73.318 -11.459 13.524 1.00 0.00 H new ATOM 735 N ILE A 47 71.039 -13.079 7.120 1.00 0.00 N ATOM 736 CA ILE A 47 71.999 -12.716 6.069 1.00 0.00 C ATOM 737 C ILE A 47 72.365 -11.222 6.163 1.00 0.00 C ATOM 738 O ILE A 47 71.472 -10.376 6.232 1.00 0.00 O ATOM 739 CB ILE A 47 71.386 -12.994 4.689 1.00 0.00 C ATOM 740 CG1 ILE A 47 70.786 -14.405 4.659 1.00 0.00 C ATOM 741 CG2 ILE A 47 72.474 -12.883 3.619 1.00 0.00 C ATOM 742 CD1 ILE A 47 70.085 -14.642 3.318 1.00 0.00 C ATOM 0 H ILE A 47 70.307 -12.386 7.280 1.00 0.00 H new ATOM 0 HA ILE A 47 72.900 -13.314 6.204 1.00 0.00 H new ATOM 0 HB ILE A 47 70.600 -12.265 4.492 1.00 0.00 H new ATOM 0 HG12 ILE A 47 71.571 -15.147 4.806 1.00 0.00 H new ATOM 0 HG13 ILE A 47 70.076 -14.526 5.477 1.00 0.00 H new ATOM 0 HG21 ILE A 47 72.041 -13.080 2.638 1.00 0.00 H new ATOM 0 HG22 ILE A 47 72.898 -11.879 3.634 1.00 0.00 H new ATOM 0 HG23 ILE A 47 73.259 -13.611 3.822 1.00 0.00 H new ATOM 0 HD11 ILE A 47 69.660 -15.646 3.302 1.00 0.00 H new ATOM 0 HD12 ILE A 47 69.289 -13.909 3.189 1.00 0.00 H new ATOM 0 HD13 ILE A 47 70.806 -14.540 2.507 1.00 0.00 H new ATOM 754 N PRO A 48 73.639 -10.866 6.170 1.00 0.00 N ATOM 755 CA PRO A 48 74.066 -9.430 6.255 1.00 0.00 C ATOM 756 C PRO A 48 73.921 -8.696 4.918 1.00 0.00 C ATOM 757 O PRO A 48 74.174 -9.273 3.863 1.00 0.00 O ATOM 758 CB PRO A 48 75.538 -9.540 6.670 1.00 0.00 C ATOM 759 CG PRO A 48 76.007 -10.813 6.048 1.00 0.00 C ATOM 760 CD PRO A 48 74.812 -11.769 6.095 1.00 0.00 C ATOM 0 HA PRO A 48 73.455 -8.852 6.948 1.00 0.00 H new ATOM 0 HB2 PRO A 48 76.116 -8.687 6.313 1.00 0.00 H new ATOM 0 HB3 PRO A 48 75.644 -9.565 7.755 1.00 0.00 H new ATOM 0 HG2 PRO A 48 76.335 -10.648 5.022 1.00 0.00 H new ATOM 0 HG3 PRO A 48 76.857 -11.224 6.593 1.00 0.00 H new ATOM 0 HD2 PRO A 48 74.772 -12.403 5.210 1.00 0.00 H new ATOM 0 HD3 PRO A 48 74.863 -12.431 6.959 1.00 0.00 H new ATOM 768 N SER A 49 73.536 -7.415 4.969 1.00 0.00 N ATOM 769 CA SER A 49 73.385 -6.619 3.750 1.00 0.00 C ATOM 770 C SER A 49 74.620 -6.794 2.848 1.00 0.00 C ATOM 771 O SER A 49 75.689 -6.284 3.182 1.00 0.00 O ATOM 772 CB SER A 49 73.241 -5.140 4.116 1.00 0.00 C ATOM 773 OG SER A 49 74.200 -4.808 5.111 1.00 0.00 O ATOM 0 H SER A 49 73.326 -6.914 5.832 1.00 0.00 H new ATOM 0 HA SER A 49 72.496 -6.957 3.218 1.00 0.00 H new ATOM 0 HB2 SER A 49 73.387 -4.519 3.232 1.00 0.00 H new ATOM 0 HB3 SER A 49 72.234 -4.941 4.484 1.00 0.00 H new ATOM 0 HG SER A 49 75.074 -5.172 4.858 1.00 0.00 H new ATOM 779 N PRO A 50 74.535 -7.512 1.742 1.00 0.00 N ATOM 780 CA PRO A 50 75.730 -7.724 0.864 1.00 0.00 C ATOM 781 C PRO A 50 76.214 -6.465 0.118 1.00 0.00 C ATOM 782 O PRO A 50 77.380 -6.400 -0.274 1.00 0.00 O ATOM 783 CB PRO A 50 75.279 -8.830 -0.108 1.00 0.00 C ATOM 784 CG PRO A 50 73.784 -8.737 -0.157 1.00 0.00 C ATOM 785 CD PRO A 50 73.330 -8.194 1.205 1.00 0.00 C ATOM 0 HA PRO A 50 76.603 -7.994 1.459 1.00 0.00 H new ATOM 0 HB2 PRO A 50 75.714 -8.684 -1.097 1.00 0.00 H new ATOM 0 HB3 PRO A 50 75.600 -9.812 0.239 1.00 0.00 H new ATOM 0 HG2 PRO A 50 73.464 -8.077 -0.963 1.00 0.00 H new ATOM 0 HG3 PRO A 50 73.342 -9.714 -0.351 1.00 0.00 H new ATOM 0 HD2 PRO A 50 72.494 -7.503 1.100 1.00 0.00 H new ATOM 0 HD3 PRO A 50 72.999 -8.997 1.864 1.00 0.00 H new ATOM 793 N VAL A 51 75.339 -5.475 -0.094 1.00 0.00 N ATOM 794 CA VAL A 51 75.736 -4.252 -0.813 1.00 0.00 C ATOM 795 C VAL A 51 75.168 -2.988 -0.144 1.00 0.00 C ATOM 796 O VAL A 51 73.956 -2.860 0.017 1.00 0.00 O ATOM 797 CB VAL A 51 75.241 -4.345 -2.267 1.00 0.00 C ATOM 798 CG1 VAL A 51 75.975 -3.328 -3.152 1.00 0.00 C ATOM 799 CG2 VAL A 51 75.514 -5.755 -2.796 1.00 0.00 C ATOM 0 H VAL A 51 74.367 -5.492 0.215 1.00 0.00 H new ATOM 0 HA VAL A 51 76.823 -4.174 -0.788 1.00 0.00 H new ATOM 0 HB VAL A 51 74.173 -4.129 -2.292 1.00 0.00 H new ATOM 0 HG11 VAL A 51 75.612 -3.408 -4.177 1.00 0.00 H new ATOM 0 HG12 VAL A 51 75.790 -2.321 -2.779 1.00 0.00 H new ATOM 0 HG13 VAL A 51 77.046 -3.532 -3.129 1.00 0.00 H new ATOM 0 HG21 VAL A 51 75.166 -5.831 -3.826 1.00 0.00 H new ATOM 0 HG22 VAL A 51 76.585 -5.957 -2.758 1.00 0.00 H new ATOM 0 HG23 VAL A 51 74.986 -6.483 -2.180 1.00 0.00 H new ATOM 809 N ARG A 52 76.051 -2.047 0.225 1.00 0.00 N ATOM 810 CA ARG A 52 75.621 -0.795 0.850 1.00 0.00 C ATOM 811 C ARG A 52 75.193 0.208 -0.231 1.00 0.00 C ATOM 812 O ARG A 52 75.564 0.063 -1.396 1.00 0.00 O ATOM 813 CB ARG A 52 76.784 -0.227 1.707 1.00 0.00 C ATOM 814 CG ARG A 52 77.653 0.749 0.887 1.00 0.00 C ATOM 815 CD ARG A 52 78.936 1.084 1.647 1.00 0.00 C ATOM 816 NE ARG A 52 78.618 1.681 2.941 1.00 0.00 N ATOM 817 CZ ARG A 52 78.375 2.983 3.059 1.00 0.00 C ATOM 818 NH1 ARG A 52 78.382 3.747 2.000 1.00 0.00 N ATOM 819 NH2 ARG A 52 78.112 3.496 4.229 1.00 0.00 N ATOM 0 H ARG A 52 77.060 -2.132 0.101 1.00 0.00 H new ATOM 0 HA ARG A 52 74.765 -0.979 1.499 1.00 0.00 H new ATOM 0 HB2 ARG A 52 76.380 0.286 2.580 1.00 0.00 H new ATOM 0 HB3 ARG A 52 77.401 -1.046 2.076 1.00 0.00 H new ATOM 0 HG2 ARG A 52 77.899 0.305 -0.078 1.00 0.00 H new ATOM 0 HG3 ARG A 52 77.094 1.662 0.684 1.00 0.00 H new ATOM 0 HD2 ARG A 52 79.528 0.180 1.792 1.00 0.00 H new ATOM 0 HD3 ARG A 52 79.544 1.773 1.061 1.00 0.00 H new ATOM 0 HE ARG A 52 78.582 1.088 3.770 1.00 0.00 H new ATOM 0 HH11 ARG A 52 78.574 3.345 1.082 1.00 0.00 H new ATOM 0 HH12 ARG A 52 78.196 4.746 2.090 1.00 0.00 H new ATOM 0 HH21 ARG A 52 78.093 2.898 5.055 1.00 0.00 H new ATOM 0 HH22 ARG A 52 77.926 4.495 4.318 1.00 0.00 H new ATOM 833 N GLY A 53 74.427 1.231 0.155 1.00 0.00 N ATOM 834 CA GLY A 53 73.990 2.238 -0.810 1.00 0.00 C ATOM 835 C GLY A 53 72.789 3.039 -0.302 1.00 0.00 C ATOM 836 O GLY A 53 72.709 3.369 0.880 1.00 0.00 O ATOM 0 H GLY A 53 74.102 1.382 1.110 1.00 0.00 H new ATOM 0 HA2 GLY A 53 74.815 2.918 -1.023 1.00 0.00 H new ATOM 0 HA3 GLY A 53 73.729 1.750 -1.749 1.00 0.00 H new ATOM 840 N LYS A 54 71.863 3.367 -1.214 1.00 0.00 N ATOM 841 CA LYS A 54 70.672 4.151 -0.863 1.00 0.00 C ATOM 842 C LYS A 54 69.392 3.368 -1.148 1.00 0.00 C ATOM 843 O LYS A 54 69.246 2.763 -2.209 1.00 0.00 O ATOM 844 CB LYS A 54 70.665 5.456 -1.679 1.00 0.00 C ATOM 845 CG LYS A 54 69.478 6.328 -1.267 1.00 0.00 C ATOM 846 CD LYS A 54 69.528 7.651 -2.035 1.00 0.00 C ATOM 847 CE LYS A 54 68.354 8.534 -1.612 1.00 0.00 C ATOM 848 NZ LYS A 54 68.396 9.813 -2.375 1.00 0.00 N ATOM 0 H LYS A 54 71.916 3.102 -2.198 1.00 0.00 H new ATOM 0 HA LYS A 54 70.707 4.373 0.204 1.00 0.00 H new ATOM 0 HB2 LYS A 54 71.597 5.998 -1.520 1.00 0.00 H new ATOM 0 HB3 LYS A 54 70.607 5.228 -2.743 1.00 0.00 H new ATOM 0 HG2 LYS A 54 68.542 5.809 -1.475 1.00 0.00 H new ATOM 0 HG3 LYS A 54 69.506 6.517 -0.194 1.00 0.00 H new ATOM 0 HD2 LYS A 54 70.470 8.162 -1.838 1.00 0.00 H new ATOM 0 HD3 LYS A 54 69.486 7.462 -3.108 1.00 0.00 H new ATOM 0 HE2 LYS A 54 67.412 8.018 -1.797 1.00 0.00 H new ATOM 0 HE3 LYS A 54 68.403 8.735 -0.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 67.598 10.415 -2.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 69.290 10.306 -2.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 68.330 9.612 -3.393 1.00 0.00 H new ATOM 862 N ILE A 55 68.465 3.395 -0.188 1.00 0.00 N ATOM 863 CA ILE A 55 67.187 2.696 -0.327 1.00 0.00 C ATOM 864 C ILE A 55 66.139 3.693 -0.832 1.00 0.00 C ATOM 865 O ILE A 55 65.867 4.698 -0.173 1.00 0.00 O ATOM 866 CB ILE A 55 66.771 2.147 1.053 1.00 0.00 C ATOM 867 CG1 ILE A 55 68.014 1.644 1.809 1.00 0.00 C ATOM 868 CG2 ILE A 55 65.781 0.991 0.892 1.00 0.00 C ATOM 869 CD1 ILE A 55 68.809 0.653 0.949 1.00 0.00 C ATOM 0 H ILE A 55 68.576 3.894 0.695 1.00 0.00 H new ATOM 0 HA ILE A 55 67.273 1.870 -1.033 1.00 0.00 H new ATOM 0 HB ILE A 55 66.295 2.950 1.616 1.00 0.00 H new ATOM 0 HG12 ILE A 55 68.648 2.489 2.079 1.00 0.00 H new ATOM 0 HG13 ILE A 55 67.710 1.164 2.739 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.498 0.615 1.875 1.00 0.00 H new ATOM 0 HG22 ILE A 55 64.892 1.343 0.368 1.00 0.00 H new ATOM 0 HG23 ILE A 55 66.247 0.190 0.318 1.00 0.00 H new ATOM 0 HD11 ILE A 55 69.683 0.310 1.503 1.00 0.00 H new ATOM 0 HD12 ILE A 55 68.179 -0.201 0.701 1.00 0.00 H new ATOM 0 HD13 ILE A 55 69.131 1.145 0.031 1.00 0.00 H new ATOM 881 N VAL A 56 65.582 3.443 -2.021 1.00 0.00 N ATOM 882 CA VAL A 56 64.603 4.370 -2.609 1.00 0.00 C ATOM 883 C VAL A 56 63.158 4.035 -2.222 1.00 0.00 C ATOM 884 O VAL A 56 62.431 4.912 -1.757 1.00 0.00 O ATOM 885 CB VAL A 56 64.754 4.377 -4.145 1.00 0.00 C ATOM 886 CG1 VAL A 56 63.523 5.007 -4.817 1.00 0.00 C ATOM 887 CG2 VAL A 56 65.995 5.189 -4.533 1.00 0.00 C ATOM 0 H VAL A 56 65.786 2.621 -2.590 1.00 0.00 H new ATOM 0 HA VAL A 56 64.813 5.361 -2.206 1.00 0.00 H new ATOM 0 HB VAL A 56 64.852 3.345 -4.482 1.00 0.00 H new ATOM 0 HG11 VAL A 56 63.655 4.999 -5.899 1.00 0.00 H new ATOM 0 HG12 VAL A 56 62.633 4.434 -4.556 1.00 0.00 H new ATOM 0 HG13 VAL A 56 63.407 6.035 -4.473 1.00 0.00 H new ATOM 0 HG21 VAL A 56 66.102 5.194 -5.618 1.00 0.00 H new ATOM 0 HG22 VAL A 56 65.887 6.213 -4.174 1.00 0.00 H new ATOM 0 HG23 VAL A 56 66.880 4.738 -4.083 1.00 0.00 H new ATOM 897 N LYS A 57 62.714 2.794 -2.442 1.00 0.00 N ATOM 898 CA LYS A 57 61.319 2.456 -2.125 1.00 0.00 C ATOM 899 C LYS A 57 61.143 0.985 -1.765 1.00 0.00 C ATOM 900 O LYS A 57 61.944 0.134 -2.144 1.00 0.00 O ATOM 901 CB LYS A 57 60.438 2.799 -3.334 1.00 0.00 C ATOM 902 CG LYS A 57 58.959 2.616 -2.981 1.00 0.00 C ATOM 903 CD LYS A 57 58.088 3.087 -4.149 1.00 0.00 C ATOM 904 CE LYS A 57 56.613 2.928 -3.774 1.00 0.00 C ATOM 905 NZ LYS A 57 56.284 1.478 -3.664 1.00 0.00 N ATOM 0 H LYS A 57 63.273 2.031 -2.823 1.00 0.00 H new ATOM 0 HA LYS A 57 61.024 3.038 -1.252 1.00 0.00 H new ATOM 0 HB2 LYS A 57 60.620 3.827 -3.646 1.00 0.00 H new ATOM 0 HB3 LYS A 57 60.700 2.159 -4.177 1.00 0.00 H new ATOM 0 HG2 LYS A 57 58.754 1.568 -2.762 1.00 0.00 H new ATOM 0 HG3 LYS A 57 58.717 3.183 -2.082 1.00 0.00 H new ATOM 0 HD2 LYS A 57 58.306 4.129 -4.383 1.00 0.00 H new ATOM 0 HD3 LYS A 57 58.313 2.506 -5.043 1.00 0.00 H new ATOM 0 HE2 LYS A 57 56.410 3.431 -2.828 1.00 0.00 H new ATOM 0 HE3 LYS A 57 55.982 3.399 -4.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 55.625 1.213 -4.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 57.155 0.917 -3.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 55.842 1.291 -2.741 1.00 0.00 H new ATOM 919 N ILE A 58 60.067 0.707 -1.021 1.00 0.00 N ATOM 920 CA ILE A 58 59.739 -0.647 -0.586 1.00 0.00 C ATOM 921 C ILE A 58 58.505 -1.159 -1.346 1.00 0.00 C ATOM 922 O ILE A 58 57.436 -0.555 -1.286 1.00 0.00 O ATOM 923 CB ILE A 58 59.474 -0.616 0.934 1.00 0.00 C ATOM 924 CG1 ILE A 58 59.641 -2.023 1.520 1.00 0.00 C ATOM 925 CG2 ILE A 58 58.062 -0.079 1.220 1.00 0.00 C ATOM 926 CD1 ILE A 58 58.996 -2.117 2.912 1.00 0.00 C ATOM 0 H ILE A 58 59.403 1.415 -0.706 1.00 0.00 H new ATOM 0 HA ILE A 58 60.566 -1.325 -0.798 1.00 0.00 H new ATOM 0 HB ILE A 58 60.196 0.050 1.406 1.00 0.00 H new ATOM 0 HG12 ILE A 58 59.186 -2.755 0.853 1.00 0.00 H new ATOM 0 HG13 ILE A 58 60.701 -2.270 1.588 1.00 0.00 H new ATOM 0 HG21 ILE A 58 57.890 -0.063 2.296 1.00 0.00 H new ATOM 0 HG22 ILE A 58 57.970 0.932 0.823 1.00 0.00 H new ATOM 0 HG23 ILE A 58 57.324 -0.725 0.744 1.00 0.00 H new ATOM 0 HD11 ILE A 58 59.128 -3.124 3.307 1.00 0.00 H new ATOM 0 HD12 ILE A 58 59.470 -1.400 3.582 1.00 0.00 H new ATOM 0 HD13 ILE A 58 57.932 -1.893 2.836 1.00 0.00 H new ATOM 938 N LEU A 59 58.666 -2.263 -2.076 1.00 0.00 N ATOM 939 CA LEU A 59 57.560 -2.834 -2.857 1.00 0.00 C ATOM 940 C LEU A 59 56.893 -3.990 -2.112 1.00 0.00 C ATOM 941 O LEU A 59 55.775 -4.384 -2.447 1.00 0.00 O ATOM 942 CB LEU A 59 58.081 -3.345 -4.202 1.00 0.00 C ATOM 943 CG LEU A 59 58.634 -2.183 -5.042 1.00 0.00 C ATOM 944 CD1 LEU A 59 59.277 -2.753 -6.311 1.00 0.00 C ATOM 945 CD2 LEU A 59 57.500 -1.211 -5.430 1.00 0.00 C ATOM 0 H LEU A 59 59.543 -2.779 -2.145 1.00 0.00 H new ATOM 0 HA LEU A 59 56.823 -2.047 -3.014 1.00 0.00 H new ATOM 0 HB2 LEU A 59 58.863 -4.087 -4.038 1.00 0.00 H new ATOM 0 HB3 LEU A 59 57.277 -3.843 -4.744 1.00 0.00 H new ATOM 0 HG LEU A 59 59.374 -1.637 -4.458 1.00 0.00 H new ATOM 0 HD11 LEU A 59 59.673 -1.937 -6.916 1.00 0.00 H new ATOM 0 HD12 LEU A 59 60.087 -3.428 -6.036 1.00 0.00 H new ATOM 0 HD13 LEU A 59 58.528 -3.299 -6.885 1.00 0.00 H new ATOM 0 HD21 LEU A 59 57.909 -0.394 -6.025 1.00 0.00 H new ATOM 0 HD22 LEU A 59 56.748 -1.743 -6.013 1.00 0.00 H new ATOM 0 HD23 LEU A 59 57.041 -0.808 -4.527 1.00 0.00 H new ATOM 957 N TYR A 60 57.585 -4.543 -1.114 1.00 0.00 N ATOM 958 CA TYR A 60 57.050 -5.674 -0.340 1.00 0.00 C ATOM 959 C TYR A 60 56.725 -5.263 1.095 1.00 0.00 C ATOM 960 O TYR A 60 57.422 -4.451 1.704 1.00 0.00 O ATOM 961 CB TYR A 60 58.069 -6.836 -0.336 1.00 0.00 C ATOM 962 CG TYR A 60 57.863 -7.710 -1.565 1.00 0.00 C ATOM 963 CD1 TYR A 60 57.991 -7.156 -2.847 1.00 0.00 C ATOM 964 CD2 TYR A 60 57.538 -9.074 -1.424 1.00 0.00 C ATOM 965 CE1 TYR A 60 57.799 -7.958 -3.980 1.00 0.00 C ATOM 966 CE2 TYR A 60 57.346 -9.869 -2.558 1.00 0.00 C ATOM 967 CZ TYR A 60 57.476 -9.312 -3.836 1.00 0.00 C ATOM 968 OH TYR A 60 57.287 -10.097 -4.956 1.00 0.00 O ATOM 0 H TYR A 60 58.511 -4.232 -0.821 1.00 0.00 H new ATOM 0 HA TYR A 60 56.125 -6.001 -0.815 1.00 0.00 H new ATOM 0 HB2 TYR A 60 59.085 -6.440 -0.326 1.00 0.00 H new ATOM 0 HB3 TYR A 60 57.950 -7.432 0.569 1.00 0.00 H new ATOM 0 HD1 TYR A 60 58.238 -6.111 -2.961 1.00 0.00 H new ATOM 0 HD2 TYR A 60 57.437 -9.506 -0.439 1.00 0.00 H new ATOM 0 HE1 TYR A 60 57.901 -7.530 -4.966 1.00 0.00 H new ATOM 0 HE2 TYR A 60 57.097 -10.914 -2.448 1.00 0.00 H new ATOM 0 HH TYR A 60 57.070 -11.012 -4.681 1.00 0.00 H new ATOM 978 N ARG A 61 55.654 -5.853 1.628 1.00 0.00 N ATOM 979 CA ARG A 61 55.213 -5.579 2.997 1.00 0.00 C ATOM 980 C ARG A 61 55.208 -6.867 3.813 1.00 0.00 C ATOM 981 O ARG A 61 55.241 -7.968 3.263 1.00 0.00 O ATOM 982 CB ARG A 61 53.804 -4.976 2.990 1.00 0.00 C ATOM 983 CG ARG A 61 53.843 -3.584 2.354 1.00 0.00 C ATOM 984 CD ARG A 61 52.423 -3.016 2.306 1.00 0.00 C ATOM 985 NE ARG A 61 52.429 -1.673 1.740 1.00 0.00 N ATOM 986 CZ ARG A 61 51.294 -1.031 1.485 1.00 0.00 C ATOM 987 NH1 ARG A 61 50.150 -1.607 1.736 1.00 0.00 N ATOM 988 NH2 ARG A 61 51.326 0.177 0.989 1.00 0.00 N ATOM 0 H ARG A 61 55.073 -6.527 1.130 1.00 0.00 H new ATOM 0 HA ARG A 61 55.905 -4.868 3.448 1.00 0.00 H new ATOM 0 HB2 ARG A 61 53.124 -5.622 2.434 1.00 0.00 H new ATOM 0 HB3 ARG A 61 53.421 -4.911 4.008 1.00 0.00 H new ATOM 0 HG2 ARG A 61 54.492 -2.925 2.931 1.00 0.00 H new ATOM 0 HG3 ARG A 61 54.259 -3.642 1.348 1.00 0.00 H new ATOM 0 HD2 ARG A 61 51.785 -3.666 1.708 1.00 0.00 H new ATOM 0 HD3 ARG A 61 52.001 -2.992 3.311 1.00 0.00 H new ATOM 0 HE ARG A 61 53.319 -1.218 1.536 1.00 0.00 H new ATOM 0 HH11 ARG A 61 50.128 -2.549 2.127 1.00 0.00 H new ATOM 0 HH12 ARG A 61 49.278 -1.115 1.541 1.00 0.00 H new ATOM 0 HH21 ARG A 61 52.222 0.626 0.798 1.00 0.00 H new ATOM 0 HH22 ARG A 61 50.455 0.671 0.793 1.00 0.00 H new ATOM 1002 N GLU A 62 55.189 -6.710 5.128 1.00 0.00 N ATOM 1003 CA GLU A 62 55.206 -7.855 6.035 1.00 0.00 C ATOM 1004 C GLU A 62 54.023 -8.787 5.786 1.00 0.00 C ATOM 1005 O GLU A 62 52.913 -8.338 5.511 1.00 0.00 O ATOM 1006 CB GLU A 62 55.156 -7.367 7.486 1.00 0.00 C ATOM 1007 CG GLU A 62 56.444 -6.621 7.826 1.00 0.00 C ATOM 1008 CD GLU A 62 56.406 -6.146 9.275 1.00 0.00 C ATOM 1009 OE1 GLU A 62 55.408 -6.392 9.932 1.00 0.00 O ATOM 1010 OE2 GLU A 62 57.374 -5.541 9.706 1.00 0.00 O ATOM 0 H GLU A 62 55.162 -5.803 5.594 1.00 0.00 H new ATOM 0 HA GLU A 62 56.127 -8.408 5.851 1.00 0.00 H new ATOM 0 HB2 GLU A 62 54.297 -6.712 7.629 1.00 0.00 H new ATOM 0 HB3 GLU A 62 55.027 -8.214 8.160 1.00 0.00 H new ATOM 0 HG2 GLU A 62 57.303 -7.273 7.671 1.00 0.00 H new ATOM 0 HG3 GLU A 62 56.567 -5.768 7.158 1.00 0.00 H new ATOM 1017 N GLY A 63 54.276 -10.091 5.901 1.00 0.00 N ATOM 1018 CA GLY A 63 53.219 -11.092 5.704 1.00 0.00 C ATOM 1019 C GLY A 63 53.119 -11.537 4.247 1.00 0.00 C ATOM 1020 O GLY A 63 52.202 -12.273 3.884 1.00 0.00 O ATOM 0 H GLY A 63 55.192 -10.479 6.127 1.00 0.00 H new ATOM 0 HA2 GLY A 63 53.418 -11.958 6.335 1.00 0.00 H new ATOM 0 HA3 GLY A 63 52.263 -10.678 6.023 1.00 0.00 H new ATOM 1024 N GLN A 64 54.044 -11.079 3.402 1.00 0.00 N ATOM 1025 CA GLN A 64 54.007 -11.442 1.982 1.00 0.00 C ATOM 1026 C GLN A 64 54.877 -12.654 1.676 1.00 0.00 C ATOM 1027 O GLN A 64 56.039 -12.726 2.076 1.00 0.00 O ATOM 1028 CB GLN A 64 54.461 -10.259 1.123 1.00 0.00 C ATOM 1029 CG GLN A 64 53.384 -9.175 1.154 1.00 0.00 C ATOM 1030 CD GLN A 64 53.838 -7.956 0.358 1.00 0.00 C ATOM 1031 OE1 GLN A 64 54.883 -7.987 -0.290 1.00 0.00 O ATOM 1032 NE2 GLN A 64 53.110 -6.873 0.377 1.00 0.00 N ATOM 0 H GLN A 64 54.815 -10.467 3.668 1.00 0.00 H new ATOM 0 HA GLN A 64 52.976 -11.701 1.744 1.00 0.00 H new ATOM 0 HB2 GLN A 64 55.404 -9.862 1.498 1.00 0.00 H new ATOM 0 HB3 GLN A 64 54.637 -10.585 0.098 1.00 0.00 H new ATOM 0 HG2 GLN A 64 52.455 -9.564 0.738 1.00 0.00 H new ATOM 0 HG3 GLN A 64 53.176 -8.888 2.185 1.00 0.00 H new ATOM 0 HE21 GLN A 64 52.244 -6.850 0.915 1.00 0.00 H new ATOM 0 HE22 GLN A 64 53.407 -6.049 -0.146 1.00 0.00 H new ATOM 1041 N VAL A 65 54.295 -13.599 0.940 1.00 0.00 N ATOM 1042 CA VAL A 65 54.996 -14.822 0.535 1.00 0.00 C ATOM 1043 C VAL A 65 54.905 -14.968 -0.980 1.00 0.00 C ATOM 1044 O VAL A 65 53.814 -14.933 -1.550 1.00 0.00 O ATOM 1045 CB VAL A 65 54.373 -16.045 1.223 1.00 0.00 C ATOM 1046 CG1 VAL A 65 52.852 -16.040 1.035 1.00 0.00 C ATOM 1047 CG2 VAL A 65 54.959 -17.331 0.626 1.00 0.00 C ATOM 0 H VAL A 65 53.332 -13.542 0.608 1.00 0.00 H new ATOM 0 HA VAL A 65 56.042 -14.757 0.834 1.00 0.00 H new ATOM 0 HB VAL A 65 54.600 -16.002 2.288 1.00 0.00 H new ATOM 0 HG11 VAL A 65 52.422 -16.912 1.527 1.00 0.00 H new ATOM 0 HG12 VAL A 65 52.434 -15.133 1.473 1.00 0.00 H new ATOM 0 HG13 VAL A 65 52.617 -16.071 -0.029 1.00 0.00 H new ATOM 0 HG21 VAL A 65 54.514 -18.196 1.117 1.00 0.00 H new ATOM 0 HG22 VAL A 65 54.742 -17.368 -0.441 1.00 0.00 H new ATOM 0 HG23 VAL A 65 56.038 -17.343 0.777 1.00 0.00 H new ATOM 1057 N VAL A 66 56.058 -15.114 -1.629 1.00 0.00 N ATOM 1058 CA VAL A 66 56.103 -15.240 -3.086 1.00 0.00 C ATOM 1059 C VAL A 66 57.276 -16.138 -3.517 1.00 0.00 C ATOM 1060 O VAL A 66 58.379 -15.993 -2.986 1.00 0.00 O ATOM 1061 CB VAL A 66 56.298 -13.850 -3.698 1.00 0.00 C ATOM 1062 CG1 VAL A 66 56.046 -13.905 -5.205 1.00 0.00 C ATOM 1063 CG2 VAL A 66 55.316 -12.862 -3.062 1.00 0.00 C ATOM 0 H VAL A 66 56.970 -15.148 -1.173 1.00 0.00 H new ATOM 0 HA VAL A 66 55.170 -15.686 -3.429 1.00 0.00 H new ATOM 0 HB VAL A 66 57.321 -13.523 -3.511 1.00 0.00 H new ATOM 0 HG11 VAL A 66 56.186 -12.913 -5.634 1.00 0.00 H new ATOM 0 HG12 VAL A 66 56.746 -14.602 -5.666 1.00 0.00 H new ATOM 0 HG13 VAL A 66 55.025 -14.240 -5.391 1.00 0.00 H new ATOM 0 HG21 VAL A 66 55.458 -11.874 -3.500 1.00 0.00 H new ATOM 0 HG22 VAL A 66 54.295 -13.196 -3.244 1.00 0.00 H new ATOM 0 HG23 VAL A 66 55.495 -12.811 -1.988 1.00 0.00 H new ATOM 1073 N PRO A 67 57.100 -17.042 -4.470 1.00 0.00 N ATOM 1074 CA PRO A 67 58.227 -17.907 -4.927 1.00 0.00 C ATOM 1075 C PRO A 67 59.479 -17.094 -5.269 1.00 0.00 C ATOM 1076 O PRO A 67 59.397 -16.039 -5.899 1.00 0.00 O ATOM 1077 CB PRO A 67 57.680 -18.613 -6.182 1.00 0.00 C ATOM 1078 CG PRO A 67 56.190 -18.576 -6.048 1.00 0.00 C ATOM 1079 CD PRO A 67 55.849 -17.349 -5.191 1.00 0.00 C ATOM 0 HA PRO A 67 58.539 -18.602 -4.147 1.00 0.00 H new ATOM 0 HB2 PRO A 67 58.005 -18.105 -7.090 1.00 0.00 H new ATOM 0 HB3 PRO A 67 58.043 -19.639 -6.244 1.00 0.00 H new ATOM 0 HG2 PRO A 67 55.716 -18.507 -7.027 1.00 0.00 H new ATOM 0 HG3 PRO A 67 55.822 -19.489 -5.579 1.00 0.00 H new ATOM 0 HD2 PRO A 67 55.531 -16.509 -5.809 1.00 0.00 H new ATOM 0 HD3 PRO A 67 55.034 -17.562 -4.499 1.00 0.00 H new ATOM 1087 N VAL A 68 60.635 -17.595 -4.847 1.00 0.00 N ATOM 1088 CA VAL A 68 61.899 -16.912 -5.111 1.00 0.00 C ATOM 1089 C VAL A 68 62.040 -16.606 -6.602 1.00 0.00 C ATOM 1090 O VAL A 68 61.936 -17.499 -7.444 1.00 0.00 O ATOM 1091 CB VAL A 68 63.080 -17.785 -4.649 1.00 0.00 C ATOM 1092 CG1 VAL A 68 62.920 -19.215 -5.180 1.00 0.00 C ATOM 1093 CG2 VAL A 68 64.399 -17.207 -5.181 1.00 0.00 C ATOM 0 H VAL A 68 60.724 -18.466 -4.324 1.00 0.00 H new ATOM 0 HA VAL A 68 61.906 -15.974 -4.555 1.00 0.00 H new ATOM 0 HB VAL A 68 63.093 -17.797 -3.559 1.00 0.00 H new ATOM 0 HG11 VAL A 68 63.761 -19.823 -4.847 1.00 0.00 H new ATOM 0 HG12 VAL A 68 61.991 -19.642 -4.802 1.00 0.00 H new ATOM 0 HG13 VAL A 68 62.894 -19.198 -6.270 1.00 0.00 H new ATOM 0 HG21 VAL A 68 65.229 -17.830 -4.850 1.00 0.00 H new ATOM 0 HG22 VAL A 68 64.374 -17.185 -6.270 1.00 0.00 H new ATOM 0 HG23 VAL A 68 64.532 -16.194 -4.801 1.00 0.00 H new ATOM 1103 N GLY A 69 62.295 -15.335 -6.917 1.00 0.00 N ATOM 1104 CA GLY A 69 62.472 -14.905 -8.309 1.00 0.00 C ATOM 1105 C GLY A 69 61.853 -13.529 -8.566 1.00 0.00 C ATOM 1106 O GLY A 69 61.108 -13.355 -9.531 1.00 0.00 O ATOM 0 H GLY A 69 62.384 -14.586 -6.231 1.00 0.00 H new ATOM 0 HA2 GLY A 69 63.535 -14.875 -8.547 1.00 0.00 H new ATOM 0 HA3 GLY A 69 62.017 -15.638 -8.976 1.00 0.00 H new ATOM 1110 N SER A 70 62.159 -12.555 -7.711 1.00 0.00 N ATOM 1111 CA SER A 70 61.612 -11.209 -7.883 1.00 0.00 C ATOM 1112 C SER A 70 62.452 -10.181 -7.133 1.00 0.00 C ATOM 1113 O SER A 70 63.199 -10.530 -6.219 1.00 0.00 O ATOM 1114 CB SER A 70 60.176 -11.167 -7.363 1.00 0.00 C ATOM 1115 OG SER A 70 60.153 -11.646 -6.024 1.00 0.00 O ATOM 0 H SER A 70 62.773 -12.668 -6.904 1.00 0.00 H new ATOM 0 HA SER A 70 61.629 -10.965 -8.945 1.00 0.00 H new ATOM 0 HB2 SER A 70 59.790 -10.148 -7.405 1.00 0.00 H new ATOM 0 HB3 SER A 70 59.530 -11.779 -7.993 1.00 0.00 H new ATOM 0 HG SER A 70 59.235 -11.620 -5.683 1.00 0.00 H new ATOM 1121 N THR A 71 62.322 -8.908 -7.516 1.00 0.00 N ATOM 1122 CA THR A 71 63.075 -7.839 -6.858 1.00 0.00 C ATOM 1123 C THR A 71 62.254 -7.254 -5.704 1.00 0.00 C ATOM 1124 O THR A 71 61.287 -6.522 -5.903 1.00 0.00 O ATOM 1125 CB THR A 71 63.460 -6.750 -7.878 1.00 0.00 C ATOM 1126 OG1 THR A 71 64.504 -5.956 -7.332 1.00 0.00 O ATOM 1127 CG2 THR A 71 62.259 -5.852 -8.213 1.00 0.00 C ATOM 0 H THR A 71 61.710 -8.595 -8.270 1.00 0.00 H new ATOM 0 HA THR A 71 63.996 -8.251 -6.446 1.00 0.00 H new ATOM 0 HB THR A 71 63.789 -7.235 -8.797 1.00 0.00 H new ATOM 0 HG1 THR A 71 64.757 -5.261 -7.975 1.00 0.00 H new ATOM 0 HG21 THR A 71 62.562 -5.094 -8.935 1.00 0.00 H new ATOM 0 HG22 THR A 71 61.459 -6.458 -8.638 1.00 0.00 H new ATOM 0 HG23 THR A 71 61.903 -5.366 -7.304 1.00 0.00 H new ATOM 1135 N LEU A 72 62.630 -7.620 -4.489 1.00 0.00 N ATOM 1136 CA LEU A 72 61.916 -7.161 -3.306 1.00 0.00 C ATOM 1137 C LEU A 72 62.085 -5.657 -3.099 1.00 0.00 C ATOM 1138 O LEU A 72 61.147 -4.968 -2.701 1.00 0.00 O ATOM 1139 CB LEU A 72 62.421 -7.914 -2.069 1.00 0.00 C ATOM 1140 CG LEU A 72 61.924 -9.374 -2.066 1.00 0.00 C ATOM 1141 CD1 LEU A 72 60.422 -9.435 -1.752 1.00 0.00 C ATOM 1142 CD2 LEU A 72 62.178 -10.035 -3.426 1.00 0.00 C ATOM 0 H LEU A 72 63.423 -8.232 -4.295 1.00 0.00 H new ATOM 0 HA LEU A 72 60.855 -7.364 -3.454 1.00 0.00 H new ATOM 0 HB2 LEU A 72 63.511 -7.898 -2.049 1.00 0.00 H new ATOM 0 HB3 LEU A 72 62.078 -7.408 -1.166 1.00 0.00 H new ATOM 0 HG LEU A 72 62.476 -9.910 -1.295 1.00 0.00 H new ATOM 0 HD11 LEU A 72 60.092 -10.474 -1.755 1.00 0.00 H new ATOM 0 HD12 LEU A 72 60.237 -8.998 -0.771 1.00 0.00 H new ATOM 0 HD13 LEU A 72 59.869 -8.876 -2.507 1.00 0.00 H new ATOM 0 HD21 LEU A 72 61.820 -11.064 -3.403 1.00 0.00 H new ATOM 0 HD22 LEU A 72 61.648 -9.484 -4.203 1.00 0.00 H new ATOM 0 HD23 LEU A 72 63.247 -10.027 -3.640 1.00 0.00 H new ATOM 1154 N LEU A 73 63.294 -5.165 -3.344 1.00 0.00 N ATOM 1155 CA LEU A 73 63.602 -3.747 -3.156 1.00 0.00 C ATOM 1156 C LEU A 73 64.534 -3.275 -4.276 1.00 0.00 C ATOM 1157 O LEU A 73 65.353 -4.046 -4.772 1.00 0.00 O ATOM 1158 CB LEU A 73 64.282 -3.581 -1.781 1.00 0.00 C ATOM 1159 CG LEU A 73 64.090 -2.164 -1.214 1.00 0.00 C ATOM 1160 CD1 LEU A 73 64.613 -2.141 0.228 1.00 0.00 C ATOM 1161 CD2 LEU A 73 64.842 -1.116 -2.069 1.00 0.00 C ATOM 0 H LEU A 73 64.080 -5.726 -3.674 1.00 0.00 H new ATOM 0 HA LEU A 73 62.693 -3.147 -3.190 1.00 0.00 H new ATOM 0 HB2 LEU A 73 63.872 -4.310 -1.083 1.00 0.00 H new ATOM 0 HB3 LEU A 73 65.347 -3.793 -1.875 1.00 0.00 H new ATOM 0 HG LEU A 73 63.030 -1.909 -1.235 1.00 0.00 H new ATOM 0 HD11 LEU A 73 64.484 -1.142 0.646 1.00 0.00 H new ATOM 0 HD12 LEU A 73 64.056 -2.860 0.829 1.00 0.00 H new ATOM 0 HD13 LEU A 73 65.671 -2.404 0.236 1.00 0.00 H new ATOM 0 HD21 LEU A 73 64.689 -0.123 -1.645 1.00 0.00 H new ATOM 0 HD22 LEU A 73 65.907 -1.348 -2.075 1.00 0.00 H new ATOM 0 HD23 LEU A 73 64.460 -1.138 -3.090 1.00 0.00 H new ATOM 1173 N GLN A 74 64.419 -2.001 -4.663 1.00 0.00 N ATOM 1174 CA GLN A 74 65.283 -1.449 -5.714 1.00 0.00 C ATOM 1175 C GLN A 74 66.376 -0.602 -5.077 1.00 0.00 C ATOM 1176 O GLN A 74 66.100 0.246 -4.228 1.00 0.00 O ATOM 1177 CB GLN A 74 64.469 -0.574 -6.667 1.00 0.00 C ATOM 1178 CG GLN A 74 65.386 -0.046 -7.771 1.00 0.00 C ATOM 1179 CD GLN A 74 64.566 0.662 -8.845 1.00 0.00 C ATOM 1180 OE1 GLN A 74 63.357 0.453 -8.945 1.00 0.00 O ATOM 1181 NE2 GLN A 74 65.157 1.495 -9.659 1.00 0.00 N ATOM 0 H GLN A 74 63.747 -1.340 -4.272 1.00 0.00 H new ATOM 0 HA GLN A 74 65.725 -2.274 -6.273 1.00 0.00 H new ATOM 0 HB2 GLN A 74 63.652 -1.150 -7.101 1.00 0.00 H new ATOM 0 HB3 GLN A 74 64.019 0.257 -6.123 1.00 0.00 H new ATOM 0 HG2 GLN A 74 66.117 0.643 -7.348 1.00 0.00 H new ATOM 0 HG3 GLN A 74 65.945 -0.870 -8.214 1.00 0.00 H new ATOM 0 HE21 GLN A 74 66.159 1.667 -9.574 1.00 0.00 H new ATOM 0 HE22 GLN A 74 64.617 1.974 -10.379 1.00 0.00 H new ATOM 1190 N ILE A 75 67.627 -0.849 -5.471 1.00 0.00 N ATOM 1191 CA ILE A 75 68.768 -0.114 -4.908 1.00 0.00 C ATOM 1192 C ILE A 75 69.635 0.490 -6.004 1.00 0.00 C ATOM 1193 O ILE A 75 70.080 -0.201 -6.919 1.00 0.00 O ATOM 1194 CB ILE A 75 69.607 -1.074 -4.055 1.00 0.00 C ATOM 1195 CG1 ILE A 75 68.775 -1.554 -2.861 1.00 0.00 C ATOM 1196 CG2 ILE A 75 70.859 -0.373 -3.525 1.00 0.00 C ATOM 1197 CD1 ILE A 75 69.493 -2.710 -2.161 1.00 0.00 C ATOM 0 H ILE A 75 67.878 -1.546 -6.172 1.00 0.00 H new ATOM 0 HA ILE A 75 68.387 0.703 -4.295 1.00 0.00 H new ATOM 0 HB ILE A 75 69.904 -1.917 -4.678 1.00 0.00 H new ATOM 0 HG12 ILE A 75 68.619 -0.733 -2.161 1.00 0.00 H new ATOM 0 HG13 ILE A 75 67.790 -1.876 -3.198 1.00 0.00 H new ATOM 0 HG21 ILE A 75 71.440 -1.072 -2.923 1.00 0.00 H new ATOM 0 HG22 ILE A 75 71.464 -0.026 -4.363 1.00 0.00 H new ATOM 0 HG23 ILE A 75 70.567 0.479 -2.911 1.00 0.00 H new ATOM 0 HD11 ILE A 75 68.898 -3.048 -1.313 1.00 0.00 H new ATOM 0 HD12 ILE A 75 69.626 -3.534 -2.862 1.00 0.00 H new ATOM 0 HD13 ILE A 75 70.468 -2.373 -1.809 1.00 0.00 H new ATOM 1209 N ASP A 76 69.889 1.790 -5.878 1.00 0.00 N ATOM 1210 CA ASP A 76 70.735 2.510 -6.837 1.00 0.00 C ATOM 1211 C ASP A 76 72.126 2.726 -6.252 1.00 0.00 C ATOM 1212 O ASP A 76 72.287 3.447 -5.265 1.00 0.00 O ATOM 1213 CB ASP A 76 70.123 3.870 -7.174 1.00 0.00 C ATOM 1214 CG ASP A 76 70.837 4.477 -8.378 1.00 0.00 C ATOM 1215 OD1 ASP A 76 71.964 4.089 -8.629 1.00 0.00 O ATOM 1216 OD2 ASP A 76 70.242 5.319 -9.030 1.00 0.00 O ATOM 0 H ASP A 76 69.523 2.370 -5.123 1.00 0.00 H new ATOM 0 HA ASP A 76 70.806 1.910 -7.744 1.00 0.00 H new ATOM 0 HB2 ASP A 76 69.060 3.757 -7.389 1.00 0.00 H new ATOM 0 HB3 ASP A 76 70.205 4.538 -6.317 1.00 0.00 H new ATOM 1221 N THR A 77 73.131 2.106 -6.864 1.00 0.00 N ATOM 1222 CA THR A 77 74.502 2.246 -6.391 1.00 0.00 C ATOM 1223 C THR A 77 74.955 3.700 -6.481 1.00 0.00 C ATOM 1224 O THR A 77 76.095 3.968 -6.145 1.00 0.00 O ATOM 1225 CB THR A 77 75.433 1.368 -7.229 1.00 0.00 C ATOM 1226 OG1 THR A 77 76.764 1.482 -6.743 1.00 0.00 O ATOM 1227 CG2 THR A 77 75.378 1.816 -8.692 1.00 0.00 C ATOM 1228 OXT THR A 77 74.153 4.526 -6.890 1.00 0.00 O ATOM 0 H THR A 77 73.022 1.507 -7.682 1.00 0.00 H new ATOM 0 HA THR A 77 74.542 1.929 -5.349 1.00 0.00 H new ATOM 0 HB THR A 77 75.113 0.329 -7.157 1.00 0.00 H new ATOM 0 HG1 THR A 77 76.899 2.377 -6.367 1.00 0.00 H new ATOM 0 HG21 THR A 77 76.041 1.190 -9.289 1.00 0.00 H new ATOM 0 HG22 THR A 77 74.358 1.721 -9.064 1.00 0.00 H new ATOM 0 HG23 THR A 77 75.696 2.856 -8.766 1.00 0.00 H new TER 1236 THR A 77