USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 535 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 Single : A 1 TYR N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 HIS : no HD1:sc= -0.398 X(o=-0.4,f=-0.24) USER MOD Single : A 6 SER OG : rot -67:sc= 0.955 USER MOD Single : A 9 SER OG : rot -82:sc= 0.89 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot 22:sc= -0.143 USER MOD Single : A 18 ASN : amide:sc= -0.0394 X(o=-0.039,f=-0.34) USER MOD Single : A 19 CYS SG : rot -87:sc= 0.863 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -25:sc= 0.562 USER MOD Single : A 25 SER OG : rot 134:sc= -0.089 USER MOD Single : A 26 GLN : amide:sc= -0.878 X(o=-0.88,f=-1.1) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0.0051 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= -0.0782 X(o=-0.078,f=0) USER MOD Single : A 35 GLN : amide:sc= -0.243 X(o=-0.24,f=0) USER MOD Single : A 36 ASN : amide:sc= -0.494 X(o=-0.49,f=-0.14) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -152:sc= -0.151 (180deg=-0.722) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN :FLIP amide:sc= -2.83 F(o=-4.8!,f=-2.8) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.0927 X(o=-0.093,f=0) USER MOD Single : A 66 HIS : no HE2:sc= 0.268 K(o=0.27,f=-2!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 7.299 20.590 -10.108 1.00 0.00 N ATOM 2 CA TYR A 1 7.294 19.121 -9.886 1.00 0.00 C ATOM 3 C TYR A 1 8.097 18.747 -8.644 1.00 0.00 C ATOM 4 O TYR A 1 9.315 18.918 -8.606 1.00 0.00 O ATOM 5 CB TYR A 1 7.889 18.441 -11.122 1.00 0.00 C ATOM 6 CG TYR A 1 8.000 16.939 -10.992 1.00 0.00 C ATOM 7 CD1 TYR A 1 6.953 16.188 -10.471 1.00 0.00 C ATOM 8 CD2 TYR A 1 9.151 16.271 -11.392 1.00 0.00 C ATOM 9 CE1 TYR A 1 7.051 14.814 -10.352 1.00 0.00 C ATOM 10 CE2 TYR A 1 9.256 14.898 -11.275 1.00 0.00 C ATOM 11 CZ TYR A 1 8.204 14.175 -10.756 1.00 0.00 C ATOM 12 OH TYR A 1 8.305 12.807 -10.637 1.00 0.00 O ATOM 0 H1 TYR A 1 6.745 20.814 -10.959 1.00 0.00 H new ATOM 0 H2 TYR A 1 6.878 21.067 -9.285 1.00 0.00 H new ATOM 0 H3 TYR A 1 8.278 20.919 -10.235 1.00 0.00 H new ATOM 0 HA TYR A 1 6.269 18.787 -9.727 1.00 0.00 H new ATOM 0 HB2 TYR A 1 7.272 18.678 -11.989 1.00 0.00 H new ATOM 0 HB3 TYR A 1 8.879 18.855 -11.313 1.00 0.00 H new ATOM 0 HD1 TYR A 1 6.048 16.686 -10.154 1.00 0.00 H new ATOM 0 HD2 TYR A 1 9.977 16.834 -11.801 1.00 0.00 H new ATOM 0 HE1 TYR A 1 6.229 14.244 -9.945 1.00 0.00 H new ATOM 0 HE2 TYR A 1 10.158 14.394 -11.589 1.00 0.00 H new ATOM 0 HH TYR A 1 9.180 12.514 -10.967 1.00 0.00 H new ATOM 24 N HIS A 2 7.407 18.234 -7.631 1.00 0.00 N ATOM 25 CA HIS A 2 8.056 17.836 -6.388 1.00 0.00 C ATOM 26 C HIS A 2 8.038 16.320 -6.225 1.00 0.00 C ATOM 27 O HIS A 2 7.511 15.600 -7.073 1.00 0.00 O ATOM 28 CB HIS A 2 7.365 18.496 -5.193 1.00 0.00 C ATOM 29 CG HIS A 2 8.130 19.649 -4.620 1.00 0.00 C ATOM 30 ND1 HIS A 2 7.630 20.464 -3.626 1.00 0.00 N ATOM 31 CD2 HIS A 2 9.366 20.121 -4.905 1.00 0.00 C ATOM 32 CE1 HIS A 2 8.525 21.388 -3.326 1.00 0.00 C ATOM 33 NE2 HIS A 2 9.586 21.202 -4.087 1.00 0.00 N ATOM 0 H HIS A 2 6.398 18.084 -7.647 1.00 0.00 H new ATOM 0 HA HIS A 2 9.094 18.167 -6.428 1.00 0.00 H new ATOM 0 HB2 HIS A 2 6.378 18.842 -5.500 1.00 0.00 H new ATOM 0 HB3 HIS A 2 7.212 17.749 -4.414 1.00 0.00 H new ATOM 0 HD2 HIS A 2 10.051 19.722 -5.638 1.00 0.00 H new ATOM 0 HE1 HIS A 2 8.408 22.164 -2.584 1.00 0.00 H new ATOM 0 HE2 HIS A 2 10.433 21.770 -4.071 1.00 0.00 H new ATOM 42 N ALA A 3 8.618 15.840 -5.128 1.00 0.00 N ATOM 43 CA ALA A 3 8.666 14.408 -4.853 1.00 0.00 C ATOM 44 C ALA A 3 7.304 13.896 -4.395 1.00 0.00 C ATOM 45 O ALA A 3 6.383 14.677 -4.162 1.00 0.00 O ATOM 46 CB ALA A 3 9.727 14.106 -3.806 1.00 0.00 C ATOM 0 H ALA A 3 9.061 16.421 -4.416 1.00 0.00 H new ATOM 0 HA ALA A 3 8.929 13.892 -5.776 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.751 13.034 -3.611 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.701 14.430 -4.171 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.490 14.637 -2.884 1.00 0.00 H new ATOM 52 N ASP A 4 7.184 12.578 -4.269 1.00 0.00 N ATOM 53 CA ASP A 4 5.933 11.963 -3.839 1.00 0.00 C ATOM 54 C ASP A 4 6.199 10.758 -2.937 1.00 0.00 C ATOM 55 O ASP A 4 5.935 9.617 -3.315 1.00 0.00 O ATOM 56 CB ASP A 4 5.107 11.541 -5.056 1.00 0.00 C ATOM 57 CG ASP A 4 3.665 11.999 -4.962 1.00 0.00 C ATOM 58 OD1 ASP A 4 3.091 11.933 -3.855 1.00 0.00 O ATOM 59 OD2 ASP A 4 3.109 12.426 -5.997 1.00 0.00 O ATOM 0 H ASP A 4 7.937 11.916 -4.458 1.00 0.00 H new ATOM 0 HA ASP A 4 5.369 12.699 -3.266 1.00 0.00 H new ATOM 0 HB2 ASP A 4 5.558 11.953 -5.959 1.00 0.00 H new ATOM 0 HB3 ASP A 4 5.135 10.456 -5.152 1.00 0.00 H new ATOM 64 N PRO A 5 6.728 10.999 -1.726 1.00 0.00 N ATOM 65 CA PRO A 5 7.032 9.929 -0.769 1.00 0.00 C ATOM 66 C PRO A 5 5.773 9.333 -0.146 1.00 0.00 C ATOM 67 O PRO A 5 5.797 8.220 0.380 1.00 0.00 O ATOM 68 CB PRO A 5 7.871 10.637 0.295 1.00 0.00 C ATOM 69 CG PRO A 5 7.422 12.057 0.244 1.00 0.00 C ATOM 70 CD PRO A 5 7.077 12.331 -1.194 1.00 0.00 C ATOM 0 HA PRO A 5 7.539 9.088 -1.243 1.00 0.00 H new ATOM 0 HB2 PRO A 5 7.707 10.204 1.282 1.00 0.00 H new ATOM 0 HB3 PRO A 5 8.937 10.550 0.082 1.00 0.00 H new ATOM 0 HG2 PRO A 5 6.558 12.217 0.890 1.00 0.00 H new ATOM 0 HG3 PRO A 5 8.208 12.728 0.591 1.00 0.00 H new ATOM 0 HD2 PRO A 5 6.244 13.028 -1.281 1.00 0.00 H new ATOM 0 HD3 PRO A 5 7.917 12.770 -1.732 1.00 0.00 H new ATOM 78 N SER A 6 4.676 10.082 -0.203 1.00 0.00 N ATOM 79 CA SER A 6 3.410 9.627 0.360 1.00 0.00 C ATOM 80 C SER A 6 2.843 8.458 -0.440 1.00 0.00 C ATOM 81 O SER A 6 1.791 8.576 -1.067 1.00 0.00 O ATOM 82 CB SER A 6 2.401 10.776 0.391 1.00 0.00 C ATOM 83 OG SER A 6 1.094 10.302 0.661 1.00 0.00 O ATOM 0 H SER A 6 4.639 11.006 -0.633 1.00 0.00 H new ATOM 0 HA SER A 6 3.597 9.287 1.379 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.693 11.499 1.152 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.411 11.298 -0.566 1.00 0.00 H new ATOM 0 HG SER A 6 0.780 9.761 -0.093 1.00 0.00 H new ATOM 89 N LEU A 7 3.545 7.330 -0.410 1.00 0.00 N ATOM 90 CA LEU A 7 3.108 6.139 -1.131 1.00 0.00 C ATOM 91 C LEU A 7 4.051 4.970 -0.875 1.00 0.00 C ATOM 92 O LEU A 7 3.632 3.915 -0.398 1.00 0.00 O ATOM 93 CB LEU A 7 3.030 6.426 -2.634 1.00 0.00 C ATOM 94 CG LEU A 7 2.719 5.211 -3.515 1.00 0.00 C ATOM 95 CD1 LEU A 7 3.971 4.374 -3.733 1.00 0.00 C ATOM 96 CD2 LEU A 7 1.612 4.369 -2.899 1.00 0.00 C ATOM 0 H LEU A 7 4.418 7.215 0.105 1.00 0.00 H new ATOM 0 HA LEU A 7 2.117 5.869 -0.767 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.265 7.183 -2.804 1.00 0.00 H new ATOM 0 HB3 LEU A 7 3.979 6.854 -2.956 1.00 0.00 H new ATOM 0 HG LEU A 7 2.374 5.571 -4.484 1.00 0.00 H new ATOM 0 HD11 LEU A 7 3.730 3.516 -4.361 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.733 4.980 -4.223 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.348 4.026 -2.771 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.407 3.512 -3.540 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.925 4.019 -1.915 1.00 0.00 H new ATOM 0 HD23 LEU A 7 0.709 4.972 -2.799 1.00 0.00 H new ATOM 108 N VAL A 8 5.325 5.160 -1.201 1.00 0.00 N ATOM 109 CA VAL A 8 6.327 4.119 -1.009 1.00 0.00 C ATOM 110 C VAL A 8 6.540 3.826 0.473 1.00 0.00 C ATOM 111 O VAL A 8 6.743 2.677 0.865 1.00 0.00 O ATOM 112 CB VAL A 8 7.675 4.516 -1.638 1.00 0.00 C ATOM 113 CG1 VAL A 8 7.531 4.700 -3.141 1.00 0.00 C ATOM 114 CG2 VAL A 8 8.216 5.780 -0.987 1.00 0.00 C ATOM 0 H VAL A 8 5.688 6.026 -1.600 1.00 0.00 H new ATOM 0 HA VAL A 8 5.951 3.224 -1.504 1.00 0.00 H new ATOM 0 HB VAL A 8 8.388 3.711 -1.462 1.00 0.00 H new ATOM 0 HG11 VAL A 8 8.494 4.980 -3.567 1.00 0.00 H new ATOM 0 HG12 VAL A 8 7.193 3.767 -3.591 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.802 5.485 -3.343 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.169 6.045 -1.444 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.506 6.595 -1.129 1.00 0.00 H new ATOM 0 HG23 VAL A 8 8.361 5.607 0.079 1.00 0.00 H new ATOM 124 N SER A 9 6.492 4.873 1.290 1.00 0.00 N ATOM 125 CA SER A 9 6.687 4.734 2.728 1.00 0.00 C ATOM 126 C SER A 9 5.593 3.873 3.351 1.00 0.00 C ATOM 127 O SER A 9 5.800 3.248 4.390 1.00 0.00 O ATOM 128 CB SER A 9 6.704 6.111 3.394 1.00 0.00 C ATOM 129 OG SER A 9 5.752 6.977 2.805 1.00 0.00 O ATOM 0 H SER A 9 6.319 5.829 0.980 1.00 0.00 H new ATOM 0 HA SER A 9 7.646 4.242 2.891 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.494 6.006 4.458 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.699 6.547 3.307 1.00 0.00 H new ATOM 0 HG SER A 9 6.127 7.370 1.989 1.00 0.00 H new ATOM 135 N PHE A 10 4.427 3.851 2.714 1.00 0.00 N ATOM 136 CA PHE A 10 3.300 3.074 3.217 1.00 0.00 C ATOM 137 C PHE A 10 3.229 1.708 2.544 1.00 0.00 C ATOM 138 O PHE A 10 3.066 0.686 3.211 1.00 0.00 O ATOM 139 CB PHE A 10 1.990 3.834 2.994 1.00 0.00 C ATOM 140 CG PHE A 10 1.524 4.597 4.202 1.00 0.00 C ATOM 141 CD1 PHE A 10 1.935 5.904 4.414 1.00 0.00 C ATOM 142 CD2 PHE A 10 0.673 4.008 5.123 1.00 0.00 C ATOM 143 CE1 PHE A 10 1.506 6.608 5.523 1.00 0.00 C ATOM 144 CE2 PHE A 10 0.242 4.707 6.235 1.00 0.00 C ATOM 145 CZ PHE A 10 0.659 6.008 6.435 1.00 0.00 C ATOM 0 H PHE A 10 4.238 4.361 1.851 1.00 0.00 H new ATOM 0 HA PHE A 10 3.449 2.921 4.286 1.00 0.00 H new ATOM 0 HB2 PHE A 10 2.119 4.528 2.164 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.215 3.126 2.700 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.598 6.377 3.705 1.00 0.00 H new ATOM 0 HD2 PHE A 10 0.343 2.991 4.970 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.832 7.626 5.677 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.420 4.236 6.946 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.324 6.556 7.303 1.00 0.00 H new ATOM 155 N LEU A 11 3.356 1.693 1.220 1.00 0.00 N ATOM 156 CA LEU A 11 3.310 0.448 0.463 1.00 0.00 C ATOM 157 C LEU A 11 4.245 -0.590 1.069 1.00 0.00 C ATOM 158 O LEU A 11 3.837 -1.711 1.369 1.00 0.00 O ATOM 159 CB LEU A 11 3.688 0.702 -0.997 1.00 0.00 C ATOM 160 CG LEU A 11 3.171 -0.338 -1.992 1.00 0.00 C ATOM 161 CD1 LEU A 11 3.845 -1.681 -1.756 1.00 0.00 C ATOM 162 CD2 LEU A 11 1.659 -0.471 -1.887 1.00 0.00 C ATOM 0 H LEU A 11 3.491 2.528 0.651 1.00 0.00 H new ATOM 0 HA LEU A 11 2.292 0.062 0.506 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.309 1.681 -1.289 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.775 0.745 -1.072 1.00 0.00 H new ATOM 0 HG LEU A 11 3.416 -0.003 -3.000 1.00 0.00 H new ATOM 0 HD11 LEU A 11 3.466 -2.409 -2.473 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.922 -1.575 -1.883 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.631 -2.023 -0.743 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.309 -1.215 -2.602 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.390 -0.783 -0.878 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.193 0.490 -2.106 1.00 0.00 H new ATOM 174 N THR A 12 5.498 -0.200 1.256 1.00 0.00 N ATOM 175 CA THR A 12 6.490 -1.086 1.849 1.00 0.00 C ATOM 176 C THR A 12 6.305 -1.158 3.359 1.00 0.00 C ATOM 177 O THR A 12 6.300 -2.242 3.944 1.00 0.00 O ATOM 178 CB THR A 12 7.902 -0.597 1.523 1.00 0.00 C ATOM 179 OG1 THR A 12 8.128 -0.611 0.124 1.00 0.00 O ATOM 180 CG2 THR A 12 8.986 -1.426 2.175 1.00 0.00 C ATOM 0 H THR A 12 5.852 0.723 1.006 1.00 0.00 H new ATOM 0 HA THR A 12 6.354 -2.083 1.429 1.00 0.00 H new ATOM 0 HB THR A 12 7.956 0.417 1.919 1.00 0.00 H new ATOM 0 HG1 THR A 12 9.036 -0.293 -0.064 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.963 -1.026 1.903 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.868 -1.392 3.258 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.909 -2.458 1.834 1.00 0.00 H new ATOM 188 N GLY A 13 6.144 0.008 3.982 1.00 0.00 N ATOM 189 CA GLY A 13 5.951 0.064 5.419 1.00 0.00 C ATOM 190 C GLY A 13 4.883 -0.899 5.895 1.00 0.00 C ATOM 191 O GLY A 13 4.914 -1.357 7.037 1.00 0.00 O ATOM 0 H GLY A 13 6.144 0.915 3.515 1.00 0.00 H new ATOM 0 HA2 GLY A 13 6.892 -0.165 5.919 1.00 0.00 H new ATOM 0 HA3 GLY A 13 5.676 1.079 5.707 1.00 0.00 H new ATOM 195 N LEU A 14 3.940 -1.209 5.013 1.00 0.00 N ATOM 196 CA LEU A 14 2.875 -2.141 5.334 1.00 0.00 C ATOM 197 C LEU A 14 3.447 -3.469 5.824 1.00 0.00 C ATOM 198 O LEU A 14 2.772 -4.234 6.512 1.00 0.00 O ATOM 199 CB LEU A 14 2.014 -2.376 4.091 1.00 0.00 C ATOM 200 CG LEU A 14 0.491 -2.299 4.287 1.00 0.00 C ATOM 201 CD1 LEU A 14 0.081 -2.695 5.699 1.00 0.00 C ATOM 202 CD2 LEU A 14 -0.015 -0.904 3.955 1.00 0.00 C ATOM 0 H LEU A 14 3.895 -0.826 4.069 1.00 0.00 H new ATOM 0 HA LEU A 14 2.265 -1.715 6.130 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.298 -1.643 3.336 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.257 -3.359 3.689 1.00 0.00 H new ATOM 0 HG LEU A 14 0.034 -3.014 3.603 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.003 -2.627 5.796 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.400 -3.718 5.897 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.552 -2.023 6.417 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.095 -0.865 4.098 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.465 -0.177 4.611 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.222 -0.668 2.917 1.00 0.00 H new ATOM 214 N GLY A 15 4.695 -3.740 5.456 1.00 0.00 N ATOM 215 CA GLY A 15 5.334 -4.982 5.845 1.00 0.00 C ATOM 216 C GLY A 15 5.706 -5.839 4.649 1.00 0.00 C ATOM 217 O GLY A 15 5.960 -7.035 4.790 1.00 0.00 O ATOM 0 H GLY A 15 5.276 -3.119 4.893 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.231 -4.761 6.423 1.00 0.00 H new ATOM 0 HA3 GLY A 15 4.665 -5.543 6.497 1.00 0.00 H new ATOM 221 N CYS A 16 5.733 -5.228 3.466 1.00 0.00 N ATOM 222 CA CYS A 16 6.074 -5.943 2.243 1.00 0.00 C ATOM 223 C CYS A 16 7.142 -5.190 1.456 1.00 0.00 C ATOM 224 O CYS A 16 6.837 -4.492 0.489 1.00 0.00 O ATOM 225 CB CYS A 16 4.827 -6.136 1.378 1.00 0.00 C ATOM 226 SG CYS A 16 3.814 -4.648 1.201 1.00 0.00 S ATOM 0 H CYS A 16 5.522 -4.239 3.331 1.00 0.00 H new ATOM 0 HA CYS A 16 6.471 -6.920 2.518 1.00 0.00 H new ATOM 0 HB2 CYS A 16 5.133 -6.474 0.388 1.00 0.00 H new ATOM 0 HB3 CYS A 16 4.217 -6.929 1.811 1.00 0.00 H new ATOM 0 HG CYS A 16 4.539 -3.598 1.447 1.00 0.00 H new ATOM 232 N PRO A 17 8.419 -5.333 1.853 1.00 0.00 N ATOM 233 CA PRO A 17 9.536 -4.657 1.187 1.00 0.00 C ATOM 234 C PRO A 17 9.958 -5.341 -0.115 1.00 0.00 C ATOM 235 O PRO A 17 10.950 -4.953 -0.730 1.00 0.00 O ATOM 236 CB PRO A 17 10.656 -4.747 2.221 1.00 0.00 C ATOM 237 CG PRO A 17 10.369 -5.999 2.977 1.00 0.00 C ATOM 238 CD PRO A 17 8.870 -6.143 3.002 1.00 0.00 C ATOM 0 HA PRO A 17 9.276 -3.640 0.892 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.635 -4.788 1.743 1.00 0.00 H new ATOM 0 HB3 PRO A 17 10.659 -3.878 2.879 1.00 0.00 H new ATOM 0 HG2 PRO A 17 10.834 -6.859 2.496 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.771 -5.943 3.989 1.00 0.00 H new ATOM 0 HD2 PRO A 17 8.567 -7.185 2.901 1.00 0.00 H new ATOM 0 HD3 PRO A 17 8.449 -5.778 3.939 1.00 0.00 H new ATOM 246 N ASN A 18 9.203 -6.354 -0.535 1.00 0.00 N ATOM 247 CA ASN A 18 9.514 -7.075 -1.763 1.00 0.00 C ATOM 248 C ASN A 18 8.257 -7.310 -2.597 1.00 0.00 C ATOM 249 O ASN A 18 8.215 -8.218 -3.428 1.00 0.00 O ATOM 250 CB ASN A 18 10.178 -8.415 -1.438 1.00 0.00 C ATOM 251 CG ASN A 18 11.675 -8.285 -1.242 1.00 0.00 C ATOM 252 OD1 ASN A 18 12.368 -7.664 -2.048 1.00 0.00 O ATOM 253 ND2 ASN A 18 12.183 -8.875 -0.166 1.00 0.00 N ATOM 0 H ASN A 18 8.375 -6.692 -0.044 1.00 0.00 H new ATOM 0 HA ASN A 18 10.204 -6.463 -2.345 1.00 0.00 H new ATOM 0 HB2 ASN A 18 9.731 -8.830 -0.535 1.00 0.00 H new ATOM 0 HB3 ASN A 18 9.980 -9.121 -2.245 1.00 0.00 H new ATOM 0 HD21 ASN A 18 13.185 -8.824 0.019 1.00 0.00 H new ATOM 0 HD22 ASN A 18 11.571 -9.379 0.476 1.00 0.00 H new ATOM 260 N CYS A 19 7.236 -6.489 -2.375 1.00 0.00 N ATOM 261 CA CYS A 19 5.983 -6.615 -3.112 1.00 0.00 C ATOM 262 C CYS A 19 5.748 -5.399 -4.000 1.00 0.00 C ATOM 263 O CYS A 19 5.106 -5.497 -5.046 1.00 0.00 O ATOM 264 CB CYS A 19 4.811 -6.792 -2.146 1.00 0.00 C ATOM 265 SG CYS A 19 3.359 -7.579 -2.883 1.00 0.00 S ATOM 0 H CYS A 19 7.251 -5.731 -1.693 1.00 0.00 H new ATOM 0 HA CYS A 19 6.054 -7.497 -3.748 1.00 0.00 H new ATOM 0 HB2 CYS A 19 5.142 -7.388 -1.296 1.00 0.00 H new ATOM 0 HB3 CYS A 19 4.524 -5.815 -1.758 1.00 0.00 H new ATOM 0 HG CYS A 19 2.607 -6.673 -3.433 1.00 0.00 H new ATOM 271 N ILE A 20 6.280 -4.255 -3.584 1.00 0.00 N ATOM 272 CA ILE A 20 6.133 -3.024 -4.348 1.00 0.00 C ATOM 273 C ILE A 20 6.529 -3.237 -5.805 1.00 0.00 C ATOM 274 O ILE A 20 5.828 -2.802 -6.717 1.00 0.00 O ATOM 275 CB ILE A 20 6.993 -1.893 -3.757 1.00 0.00 C ATOM 276 CG1 ILE A 20 6.822 -0.608 -4.571 1.00 0.00 C ATOM 277 CG2 ILE A 20 8.453 -2.313 -3.721 1.00 0.00 C ATOM 278 CD1 ILE A 20 6.704 0.638 -3.722 1.00 0.00 C ATOM 0 H ILE A 20 6.816 -4.156 -2.722 1.00 0.00 H new ATOM 0 HA ILE A 20 5.082 -2.738 -4.294 1.00 0.00 H new ATOM 0 HB ILE A 20 6.661 -1.697 -2.737 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.672 -0.499 -5.244 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.932 -0.698 -5.194 1.00 0.00 H new ATOM 0 HG21 ILE A 20 9.054 -1.506 -3.301 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.560 -3.204 -3.103 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.794 -2.530 -4.733 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.585 1.508 -4.368 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.837 0.551 -3.067 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.604 0.754 -3.119 1.00 0.00 H new ATOM 290 N GLU A 21 7.657 -3.906 -6.018 1.00 0.00 N ATOM 291 CA GLU A 21 8.145 -4.176 -7.366 1.00 0.00 C ATOM 292 C GLU A 21 7.040 -4.769 -8.234 1.00 0.00 C ATOM 293 O GLU A 21 6.853 -4.366 -9.382 1.00 0.00 O ATOM 294 CB GLU A 21 9.338 -5.131 -7.315 1.00 0.00 C ATOM 295 CG GLU A 21 9.073 -6.392 -6.509 1.00 0.00 C ATOM 296 CD GLU A 21 10.256 -6.796 -5.653 1.00 0.00 C ATOM 297 OE1 GLU A 21 10.949 -5.896 -5.133 1.00 0.00 O ATOM 298 OE2 GLU A 21 10.493 -8.014 -5.503 1.00 0.00 O ATOM 0 H GLU A 21 8.251 -4.272 -5.274 1.00 0.00 H new ATOM 0 HA GLU A 21 8.463 -3.232 -7.809 1.00 0.00 H new ATOM 0 HB2 GLU A 21 9.613 -5.411 -8.332 1.00 0.00 H new ATOM 0 HB3 GLU A 21 10.193 -4.609 -6.886 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.204 -6.234 -5.870 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.825 -7.208 -7.188 1.00 0.00 H new ATOM 305 N TYR A 22 6.303 -5.723 -7.673 1.00 0.00 N ATOM 306 CA TYR A 22 5.203 -6.354 -8.388 1.00 0.00 C ATOM 307 C TYR A 22 4.052 -5.372 -8.566 1.00 0.00 C ATOM 308 O TYR A 22 3.372 -5.374 -9.592 1.00 0.00 O ATOM 309 CB TYR A 22 4.722 -7.595 -7.632 1.00 0.00 C ATOM 310 CG TYR A 22 5.805 -8.625 -7.409 1.00 0.00 C ATOM 311 CD1 TYR A 22 6.699 -8.502 -6.352 1.00 0.00 C ATOM 312 CD2 TYR A 22 5.936 -9.720 -8.255 1.00 0.00 C ATOM 313 CE1 TYR A 22 7.691 -9.441 -6.145 1.00 0.00 C ATOM 314 CE2 TYR A 22 6.926 -10.663 -8.054 1.00 0.00 C ATOM 315 CZ TYR A 22 7.801 -10.519 -6.998 1.00 0.00 C ATOM 316 OH TYR A 22 8.788 -11.455 -6.795 1.00 0.00 O ATOM 0 H TYR A 22 6.449 -6.074 -6.727 1.00 0.00 H new ATOM 0 HA TYR A 22 5.559 -6.657 -9.373 1.00 0.00 H new ATOM 0 HB2 TYR A 22 4.319 -7.289 -6.667 1.00 0.00 H new ATOM 0 HB3 TYR A 22 3.904 -8.054 -8.187 1.00 0.00 H new ATOM 0 HD1 TYR A 22 6.617 -7.659 -5.682 1.00 0.00 H new ATOM 0 HD2 TYR A 22 5.253 -9.836 -9.083 1.00 0.00 H new ATOM 0 HE1 TYR A 22 8.378 -9.331 -5.319 1.00 0.00 H new ATOM 0 HE2 TYR A 22 7.014 -11.508 -8.720 1.00 0.00 H new ATOM 0 HH TYR A 22 8.726 -12.150 -7.483 1.00 0.00 H new ATOM 326 N PHE A 23 3.852 -4.523 -7.564 1.00 0.00 N ATOM 327 CA PHE A 23 2.795 -3.521 -7.610 1.00 0.00 C ATOM 328 C PHE A 23 3.128 -2.431 -8.624 1.00 0.00 C ATOM 329 O PHE A 23 2.309 -2.091 -9.477 1.00 0.00 O ATOM 330 CB PHE A 23 2.591 -2.904 -6.224 1.00 0.00 C ATOM 331 CG PHE A 23 1.645 -3.681 -5.355 1.00 0.00 C ATOM 332 CD1 PHE A 23 1.701 -5.064 -5.313 1.00 0.00 C ATOM 333 CD2 PHE A 23 0.697 -3.029 -4.583 1.00 0.00 C ATOM 334 CE1 PHE A 23 0.830 -5.784 -4.517 1.00 0.00 C ATOM 335 CE2 PHE A 23 -0.177 -3.743 -3.785 1.00 0.00 C ATOM 336 CZ PHE A 23 -0.110 -5.122 -3.752 1.00 0.00 C ATOM 0 H PHE A 23 4.409 -4.509 -6.710 1.00 0.00 H new ATOM 0 HA PHE A 23 1.872 -4.011 -7.920 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.556 -2.831 -5.722 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.214 -1.888 -6.339 1.00 0.00 H new ATOM 0 HD1 PHE A 23 2.434 -5.586 -5.910 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.640 -1.951 -4.605 1.00 0.00 H new ATOM 0 HE1 PHE A 23 0.885 -6.862 -4.493 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -0.912 -3.223 -3.188 1.00 0.00 H new ATOM 0 HZ PHE A 23 -0.792 -5.682 -3.129 1.00 0.00 H new ATOM 346 N THR A 24 4.342 -1.897 -8.532 1.00 0.00 N ATOM 347 CA THR A 24 4.789 -0.850 -9.444 1.00 0.00 C ATOM 348 C THR A 24 4.654 -1.294 -10.898 1.00 0.00 C ATOM 349 O THR A 24 4.546 -0.465 -11.802 1.00 0.00 O ATOM 350 CB THR A 24 6.242 -0.476 -9.149 1.00 0.00 C ATOM 351 OG1 THR A 24 7.100 -1.578 -9.381 1.00 0.00 O ATOM 352 CG2 THR A 24 6.465 -0.010 -7.727 1.00 0.00 C ATOM 0 H THR A 24 5.034 -2.172 -7.835 1.00 0.00 H new ATOM 0 HA THR A 24 4.155 0.023 -9.290 1.00 0.00 H new ATOM 0 HB THR A 24 6.469 0.350 -9.823 1.00 0.00 H new ATOM 0 HG1 THR A 24 6.593 -2.412 -9.292 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.517 0.239 -7.586 1.00 0.00 H new ATOM 0 HG22 THR A 24 5.854 0.872 -7.533 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.185 -0.805 -7.036 1.00 0.00 H new ATOM 360 N SER A 25 4.664 -2.606 -11.116 1.00 0.00 N ATOM 361 CA SER A 25 4.554 -3.160 -12.462 1.00 0.00 C ATOM 362 C SER A 25 3.390 -2.534 -13.224 1.00 0.00 C ATOM 363 O SER A 25 3.431 -2.416 -14.448 1.00 0.00 O ATOM 364 CB SER A 25 4.377 -4.678 -12.397 1.00 0.00 C ATOM 365 OG SER A 25 5.125 -5.236 -11.332 1.00 0.00 O ATOM 0 H SER A 25 4.747 -3.305 -10.378 1.00 0.00 H new ATOM 0 HA SER A 25 5.476 -2.928 -12.996 1.00 0.00 H new ATOM 0 HB2 SER A 25 3.322 -4.918 -12.269 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.693 -5.124 -13.340 1.00 0.00 H new ATOM 0 HG SER A 25 4.568 -5.876 -10.841 1.00 0.00 H new ATOM 371 N GLN A 26 2.352 -2.140 -12.496 1.00 0.00 N ATOM 372 CA GLN A 26 1.175 -1.532 -13.112 1.00 0.00 C ATOM 373 C GLN A 26 1.218 -0.014 -12.974 1.00 0.00 C ATOM 374 O GLN A 26 1.097 0.715 -13.959 1.00 0.00 O ATOM 375 CB GLN A 26 -0.119 -2.068 -12.481 1.00 0.00 C ATOM 376 CG GLN A 26 0.033 -3.408 -11.775 1.00 0.00 C ATOM 377 CD GLN A 26 0.411 -4.529 -12.721 1.00 0.00 C ATOM 378 OE1 GLN A 26 0.180 -4.444 -13.926 1.00 0.00 O ATOM 379 NE2 GLN A 26 0.992 -5.590 -12.176 1.00 0.00 N ATOM 0 H GLN A 26 2.300 -2.229 -11.481 1.00 0.00 H new ATOM 0 HA GLN A 26 1.185 -1.796 -14.169 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.491 -1.334 -11.766 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -0.875 -2.165 -13.260 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.794 -3.321 -10.999 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -0.903 -3.659 -11.276 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.164 -5.617 -11.171 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.266 -6.378 -12.762 1.00 0.00 H new ATOM 388 N GLY A 27 1.383 0.452 -11.743 1.00 0.00 N ATOM 389 CA GLY A 27 1.428 1.879 -11.481 1.00 0.00 C ATOM 390 C GLY A 27 1.115 2.200 -10.035 1.00 0.00 C ATOM 391 O GLY A 27 0.294 3.070 -9.747 1.00 0.00 O ATOM 0 H GLY A 27 1.487 -0.136 -10.916 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.417 2.263 -11.732 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.715 2.389 -12.128 1.00 0.00 H new ATOM 395 N LEU A 28 1.772 1.490 -9.124 1.00 0.00 N ATOM 396 CA LEU A 28 1.550 1.685 -7.699 1.00 0.00 C ATOM 397 C LEU A 28 2.639 2.562 -7.090 1.00 0.00 C ATOM 398 O LEU A 28 3.087 2.329 -5.967 1.00 0.00 O ATOM 399 CB LEU A 28 1.495 0.333 -6.984 1.00 0.00 C ATOM 400 CG LEU A 28 0.110 -0.071 -6.468 1.00 0.00 C ATOM 401 CD1 LEU A 28 -0.203 0.647 -5.164 1.00 0.00 C ATOM 402 CD2 LEU A 28 -0.959 0.220 -7.512 1.00 0.00 C ATOM 0 H LEU A 28 2.463 0.774 -9.349 1.00 0.00 H new ATOM 0 HA LEU A 28 0.595 2.194 -7.569 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.850 -0.438 -7.668 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.187 0.356 -6.142 1.00 0.00 H new ATOM 0 HG LEU A 28 0.115 -1.144 -6.277 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.190 0.348 -4.812 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.544 0.384 -4.415 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.187 1.724 -5.329 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.935 -0.074 -7.125 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.965 1.286 -7.739 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.744 -0.343 -8.420 1.00 0.00 H new ATOM 414 N GLN A 29 3.036 3.592 -7.826 1.00 0.00 N ATOM 415 CA GLN A 29 4.038 4.534 -7.347 1.00 0.00 C ATOM 416 C GLN A 29 3.356 5.784 -6.804 1.00 0.00 C ATOM 417 O GLN A 29 3.878 6.452 -5.910 1.00 0.00 O ATOM 418 CB GLN A 29 5.008 4.906 -8.468 1.00 0.00 C ATOM 419 CG GLN A 29 4.349 5.637 -9.627 1.00 0.00 C ATOM 420 CD GLN A 29 5.051 5.393 -10.948 1.00 0.00 C ATOM 421 OE1 GLN A 29 4.424 5.021 -11.939 1.00 0.00 O ATOM 422 NE2 GLN A 29 6.363 5.601 -10.968 1.00 0.00 N ATOM 0 H GLN A 29 2.678 3.796 -8.759 1.00 0.00 H new ATOM 0 HA GLN A 29 4.606 4.061 -6.546 1.00 0.00 H new ATOM 0 HB2 GLN A 29 5.800 5.532 -8.058 1.00 0.00 H new ATOM 0 HB3 GLN A 29 5.481 3.999 -8.844 1.00 0.00 H new ATOM 0 HG2 GLN A 29 3.310 5.318 -9.708 1.00 0.00 H new ATOM 0 HG3 GLN A 29 4.339 6.707 -9.418 1.00 0.00 H new ATOM 0 HE21 GLN A 29 6.843 5.909 -10.123 1.00 0.00 H new ATOM 0 HE22 GLN A 29 6.890 5.452 -11.829 1.00 0.00 H new ATOM 431 N SER A 30 2.171 6.074 -7.333 1.00 0.00 N ATOM 432 CA SER A 30 1.382 7.209 -6.875 1.00 0.00 C ATOM 433 C SER A 30 0.141 6.715 -6.149 1.00 0.00 C ATOM 434 O SER A 30 -0.803 6.238 -6.776 1.00 0.00 O ATOM 435 CB SER A 30 0.984 8.095 -8.057 1.00 0.00 C ATOM 436 OG SER A 30 1.284 7.467 -9.291 1.00 0.00 O ATOM 0 H SER A 30 1.736 5.535 -8.082 1.00 0.00 H new ATOM 0 HA SER A 30 1.985 7.802 -6.187 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.082 8.315 -8.007 1.00 0.00 H new ATOM 0 HB3 SER A 30 1.509 9.048 -7.994 1.00 0.00 H new ATOM 0 HG SER A 30 1.018 8.054 -10.030 1.00 0.00 H new ATOM 442 N ILE A 31 0.156 6.805 -4.820 1.00 0.00 N ATOM 443 CA ILE A 31 -0.964 6.335 -4.008 1.00 0.00 C ATOM 444 C ILE A 31 -2.305 6.765 -4.609 1.00 0.00 C ATOM 445 O ILE A 31 -3.317 6.082 -4.454 1.00 0.00 O ATOM 446 CB ILE A 31 -0.856 6.830 -2.549 1.00 0.00 C ATOM 447 CG1 ILE A 31 -1.753 5.990 -1.639 1.00 0.00 C ATOM 448 CG2 ILE A 31 -1.214 8.304 -2.439 1.00 0.00 C ATOM 449 CD1 ILE A 31 -0.984 5.170 -0.625 1.00 0.00 C ATOM 0 H ILE A 31 0.930 7.198 -4.284 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.918 5.246 -4.004 1.00 0.00 H new ATOM 0 HB ILE A 31 0.179 6.715 -2.227 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.443 6.650 -1.113 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.356 5.321 -2.253 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.129 8.623 -1.400 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.533 8.891 -3.056 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.237 8.456 -2.782 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.683 4.599 -0.013 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -0.313 4.485 -1.144 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -0.402 5.834 0.014 1.00 0.00 H new ATOM 461 N TYR A 32 -2.294 7.895 -5.308 1.00 0.00 N ATOM 462 CA TYR A 32 -3.495 8.401 -5.957 1.00 0.00 C ATOM 463 C TYR A 32 -4.089 7.348 -6.886 1.00 0.00 C ATOM 464 O TYR A 32 -5.281 7.375 -7.189 1.00 0.00 O ATOM 465 CB TYR A 32 -3.178 9.672 -6.747 1.00 0.00 C ATOM 466 CG TYR A 32 -2.414 10.706 -5.951 1.00 0.00 C ATOM 467 CD1 TYR A 32 -2.828 11.071 -4.677 1.00 0.00 C ATOM 468 CD2 TYR A 32 -1.279 11.314 -6.472 1.00 0.00 C ATOM 469 CE1 TYR A 32 -2.134 12.014 -3.944 1.00 0.00 C ATOM 470 CE2 TYR A 32 -0.578 12.258 -5.745 1.00 0.00 C ATOM 471 CZ TYR A 32 -1.011 12.605 -4.482 1.00 0.00 C ATOM 472 OH TYR A 32 -0.317 13.544 -3.755 1.00 0.00 O ATOM 0 H TYR A 32 -1.466 8.477 -5.439 1.00 0.00 H new ATOM 0 HA TYR A 32 -4.226 8.637 -5.184 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.598 9.405 -7.631 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -4.111 10.113 -7.099 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.707 10.610 -4.252 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -0.939 11.045 -7.461 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -2.470 12.287 -2.954 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.303 12.721 -6.163 1.00 0.00 H new ATOM 0 HH TYR A 32 0.449 13.861 -4.277 1.00 0.00 H new ATOM 482 N HIS A 33 -3.249 6.418 -7.336 1.00 0.00 N ATOM 483 CA HIS A 33 -3.696 5.351 -8.221 1.00 0.00 C ATOM 484 C HIS A 33 -4.331 4.212 -7.426 1.00 0.00 C ATOM 485 O HIS A 33 -5.099 3.417 -7.970 1.00 0.00 O ATOM 486 CB HIS A 33 -2.522 4.817 -9.045 1.00 0.00 C ATOM 487 CG HIS A 33 -2.492 5.333 -10.450 1.00 0.00 C ATOM 488 ND1 HIS A 33 -1.986 4.607 -11.507 1.00 0.00 N ATOM 489 CD2 HIS A 33 -2.907 6.512 -10.971 1.00 0.00 C ATOM 490 CE1 HIS A 33 -2.093 5.315 -12.618 1.00 0.00 C ATOM 491 NE2 HIS A 33 -2.648 6.475 -12.319 1.00 0.00 N ATOM 0 H HIS A 33 -2.257 6.384 -7.101 1.00 0.00 H new ATOM 0 HA HIS A 33 -4.447 5.764 -8.894 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.589 5.084 -8.549 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -2.570 3.728 -9.068 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -3.358 7.329 -10.428 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -1.780 4.999 -13.602 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -2.852 7.223 -12.982 1.00 0.00 H new ATOM 500 N LEU A 34 -4.004 4.136 -6.139 1.00 0.00 N ATOM 501 CA LEU A 34 -4.540 3.093 -5.273 1.00 0.00 C ATOM 502 C LEU A 34 -5.448 3.678 -4.198 1.00 0.00 C ATOM 503 O LEU A 34 -5.670 3.064 -3.156 1.00 0.00 O ATOM 504 CB LEU A 34 -3.399 2.324 -4.617 1.00 0.00 C ATOM 505 CG LEU A 34 -2.174 3.170 -4.256 1.00 0.00 C ATOM 506 CD1 LEU A 34 -1.378 2.505 -3.145 1.00 0.00 C ATOM 507 CD2 LEU A 34 -1.301 3.388 -5.482 1.00 0.00 C ATOM 0 H LEU A 34 -3.370 4.785 -5.673 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.132 2.416 -5.889 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.774 1.849 -3.710 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.085 1.525 -5.289 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.516 4.141 -3.899 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.511 3.119 -2.901 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.007 2.397 -2.261 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.044 1.521 -3.475 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.435 3.991 -5.209 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.966 2.424 -5.866 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.876 3.905 -6.250 1.00 0.00 H new ATOM 519 N GLN A 35 -5.966 4.868 -4.461 1.00 0.00 N ATOM 520 CA GLN A 35 -6.839 5.551 -3.515 1.00 0.00 C ATOM 521 C GLN A 35 -8.098 4.742 -3.229 1.00 0.00 C ATOM 522 O GLN A 35 -8.653 4.803 -2.133 1.00 0.00 O ATOM 523 CB GLN A 35 -7.231 6.923 -4.064 1.00 0.00 C ATOM 524 CG GLN A 35 -7.884 7.826 -3.034 1.00 0.00 C ATOM 525 CD GLN A 35 -6.923 8.851 -2.465 1.00 0.00 C ATOM 526 OE1 GLN A 35 -7.118 10.057 -2.622 1.00 0.00 O ATOM 527 NE2 GLN A 35 -5.876 8.375 -1.803 1.00 0.00 N ATOM 0 H GLN A 35 -5.797 5.383 -5.325 1.00 0.00 H new ATOM 0 HA GLN A 35 -6.289 5.667 -2.581 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -6.341 7.416 -4.455 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -7.915 6.788 -4.902 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -8.729 8.340 -3.491 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -8.282 7.217 -2.223 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -5.754 7.368 -1.697 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -5.193 9.016 -1.400 1.00 0.00 H new ATOM 536 N ASN A 36 -8.555 4.007 -4.232 1.00 0.00 N ATOM 537 CA ASN A 36 -9.774 3.217 -4.111 1.00 0.00 C ATOM 538 C ASN A 36 -9.486 1.724 -4.174 1.00 0.00 C ATOM 539 O ASN A 36 -10.304 0.904 -3.757 1.00 0.00 O ATOM 540 CB ASN A 36 -10.746 3.601 -5.220 1.00 0.00 C ATOM 541 CG ASN A 36 -10.051 3.856 -6.536 1.00 0.00 C ATOM 542 OD1 ASN A 36 -9.959 2.978 -7.394 1.00 0.00 O ATOM 543 ND2 ASN A 36 -9.552 5.071 -6.688 1.00 0.00 N ATOM 0 H ASN A 36 -8.099 3.940 -5.142 1.00 0.00 H new ATOM 0 HA ASN A 36 -10.217 3.431 -3.138 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -11.479 2.804 -5.348 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -11.295 4.495 -4.924 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -9.063 5.317 -7.548 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -9.656 5.762 -5.945 1.00 0.00 H new ATOM 550 N LEU A 37 -8.316 1.378 -4.690 1.00 0.00 N ATOM 551 CA LEU A 37 -7.919 -0.025 -4.829 1.00 0.00 C ATOM 552 C LEU A 37 -8.245 -0.823 -3.567 1.00 0.00 C ATOM 553 O LEU A 37 -8.091 -0.331 -2.450 1.00 0.00 O ATOM 554 CB LEU A 37 -6.423 -0.126 -5.135 1.00 0.00 C ATOM 555 CG LEU A 37 -6.079 -0.817 -6.457 1.00 0.00 C ATOM 556 CD1 LEU A 37 -5.117 0.036 -7.270 1.00 0.00 C ATOM 557 CD2 LEU A 37 -5.489 -2.195 -6.201 1.00 0.00 C ATOM 0 H LEU A 37 -7.621 2.047 -5.021 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.486 -0.450 -5.657 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.001 0.879 -5.147 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.937 -0.666 -4.323 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.997 -0.939 -7.031 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.884 -0.471 -8.206 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.578 1.000 -7.484 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.199 0.191 -6.703 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.251 -2.671 -7.152 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.581 -2.097 -5.606 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.212 -2.806 -5.661 1.00 0.00 H new ATOM 569 N THR A 38 -8.703 -2.056 -3.760 1.00 0.00 N ATOM 570 CA THR A 38 -9.065 -2.923 -2.646 1.00 0.00 C ATOM 571 C THR A 38 -8.389 -4.278 -2.765 1.00 0.00 C ATOM 572 O THR A 38 -7.694 -4.554 -3.742 1.00 0.00 O ATOM 573 CB THR A 38 -10.579 -3.134 -2.611 1.00 0.00 C ATOM 574 OG1 THR A 38 -11.233 -2.219 -3.474 1.00 0.00 O ATOM 575 CG2 THR A 38 -11.172 -2.972 -1.232 1.00 0.00 C ATOM 0 H THR A 38 -8.832 -2.477 -4.680 1.00 0.00 H new ATOM 0 HA THR A 38 -8.733 -2.436 -1.729 1.00 0.00 H new ATOM 0 HB THR A 38 -10.736 -4.162 -2.936 1.00 0.00 H new ATOM 0 HG1 THR A 38 -12.201 -2.371 -3.439 1.00 0.00 H new ATOM 0 HG21 THR A 38 -12.249 -3.135 -1.278 1.00 0.00 H new ATOM 0 HG22 THR A 38 -10.723 -3.699 -0.555 1.00 0.00 H new ATOM 0 HG23 THR A 38 -10.972 -1.965 -0.866 1.00 0.00 H new ATOM 583 N ILE A 39 -8.640 -5.141 -1.787 1.00 0.00 N ATOM 584 CA ILE A 39 -8.120 -6.495 -1.830 1.00 0.00 C ATOM 585 C ILE A 39 -8.597 -7.175 -3.101 1.00 0.00 C ATOM 586 O ILE A 39 -7.886 -7.976 -3.707 1.00 0.00 O ATOM 587 CB ILE A 39 -8.576 -7.316 -0.613 1.00 0.00 C ATOM 588 CG1 ILE A 39 -7.895 -8.685 -0.607 1.00 0.00 C ATOM 589 CG2 ILE A 39 -10.090 -7.470 -0.611 1.00 0.00 C ATOM 590 CD1 ILE A 39 -6.402 -8.618 -0.373 1.00 0.00 C ATOM 0 H ILE A 39 -9.198 -4.925 -0.961 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.032 -6.440 -1.812 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.285 -6.784 0.292 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.348 -9.304 0.168 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.083 -9.179 -1.560 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.395 -8.054 0.257 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.556 -6.485 -0.568 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.405 -7.981 -1.521 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.987 -9.626 -0.382 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.936 -8.027 -1.161 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.206 -8.153 0.593 1.00 0.00 H new ATOM 602 N GLU A 40 -9.806 -6.810 -3.510 1.00 0.00 N ATOM 603 CA GLU A 40 -10.402 -7.342 -4.725 1.00 0.00 C ATOM 604 C GLU A 40 -9.499 -7.077 -5.924 1.00 0.00 C ATOM 605 O GLU A 40 -9.230 -7.973 -6.723 1.00 0.00 O ATOM 606 CB GLU A 40 -11.778 -6.716 -4.959 1.00 0.00 C ATOM 607 CG GLU A 40 -12.721 -6.863 -3.776 1.00 0.00 C ATOM 608 CD GLU A 40 -13.746 -7.961 -3.979 1.00 0.00 C ATOM 609 OE1 GLU A 40 -13.533 -8.817 -4.863 1.00 0.00 O ATOM 610 OE2 GLU A 40 -14.761 -7.966 -3.251 1.00 0.00 O ATOM 0 H GLU A 40 -10.395 -6.142 -3.012 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.519 -8.419 -4.607 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.653 -5.657 -5.184 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.233 -7.177 -5.836 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.141 -7.075 -2.878 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.236 -5.917 -3.607 1.00 0.00 H new ATOM 617 N ASP A 41 -9.029 -5.839 -6.036 1.00 0.00 N ATOM 618 CA ASP A 41 -8.144 -5.452 -7.130 1.00 0.00 C ATOM 619 C ASP A 41 -6.712 -5.889 -6.844 1.00 0.00 C ATOM 620 O ASP A 41 -5.929 -6.128 -7.765 1.00 0.00 O ATOM 621 CB ASP A 41 -8.193 -3.938 -7.343 1.00 0.00 C ATOM 622 CG ASP A 41 -9.438 -3.497 -8.088 1.00 0.00 C ATOM 623 OD1 ASP A 41 -10.542 -3.954 -7.722 1.00 0.00 O ATOM 624 OD2 ASP A 41 -9.310 -2.695 -9.037 1.00 0.00 O ATOM 0 H ASP A 41 -9.246 -5.086 -5.383 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.486 -5.950 -8.037 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -8.155 -3.437 -6.376 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -7.310 -3.624 -7.899 1.00 0.00 H new ATOM 629 N LEU A 42 -6.376 -5.989 -5.562 1.00 0.00 N ATOM 630 CA LEU A 42 -5.044 -6.408 -5.148 1.00 0.00 C ATOM 631 C LEU A 42 -4.697 -7.752 -5.776 1.00 0.00 C ATOM 632 O LEU A 42 -3.658 -7.903 -6.418 1.00 0.00 O ATOM 633 CB LEU A 42 -4.969 -6.510 -3.618 1.00 0.00 C ATOM 634 CG LEU A 42 -4.827 -5.189 -2.828 1.00 0.00 C ATOM 635 CD1 LEU A 42 -3.509 -5.172 -2.069 1.00 0.00 C ATOM 636 CD2 LEU A 42 -4.937 -3.953 -3.720 1.00 0.00 C ATOM 0 H LEU A 42 -7.011 -5.785 -4.790 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.324 -5.663 -5.487 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.868 -7.017 -3.269 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.123 -7.149 -3.363 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.658 -5.148 -2.124 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.420 -4.237 -1.516 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.480 -6.010 -1.372 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.682 -5.257 -2.774 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.830 -3.055 -3.112 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.150 -3.977 -4.474 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.910 -3.944 -4.212 1.00 0.00 H new ATOM 648 N GLY A 43 -5.588 -8.722 -5.596 1.00 0.00 N ATOM 649 CA GLY A 43 -5.382 -10.035 -6.173 1.00 0.00 C ATOM 650 C GLY A 43 -5.429 -10.012 -7.689 1.00 0.00 C ATOM 651 O GLY A 43 -5.007 -10.967 -8.343 1.00 0.00 O ATOM 0 H GLY A 43 -6.450 -8.620 -5.060 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.418 -10.425 -5.848 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.145 -10.718 -5.798 1.00 0.00 H new ATOM 655 N ALA A 44 -5.946 -8.922 -8.253 1.00 0.00 N ATOM 656 CA ALA A 44 -6.032 -8.778 -9.699 1.00 0.00 C ATOM 657 C ALA A 44 -4.640 -8.694 -10.312 1.00 0.00 C ATOM 658 O ALA A 44 -4.373 -9.282 -11.360 1.00 0.00 O ATOM 659 CB ALA A 44 -6.846 -7.545 -10.060 1.00 0.00 C ATOM 0 H ALA A 44 -6.311 -8.127 -7.728 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.534 -9.657 -10.104 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.902 -7.450 -11.144 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.852 -7.641 -9.652 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.368 -6.659 -9.643 1.00 0.00 H new ATOM 665 N LEU A 45 -3.753 -7.970 -9.638 1.00 0.00 N ATOM 666 CA LEU A 45 -2.380 -7.815 -10.091 1.00 0.00 C ATOM 667 C LEU A 45 -1.770 -9.156 -10.482 1.00 0.00 C ATOM 668 O LEU A 45 -0.876 -9.218 -11.322 1.00 0.00 O ATOM 669 CB LEU A 45 -1.553 -7.181 -8.981 1.00 0.00 C ATOM 670 CG LEU A 45 -1.697 -5.665 -8.857 1.00 0.00 C ATOM 671 CD1 LEU A 45 -3.158 -5.274 -8.701 1.00 0.00 C ATOM 672 CD2 LEU A 45 -0.879 -5.150 -7.685 1.00 0.00 C ATOM 0 H LEU A 45 -3.965 -7.479 -8.770 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.379 -7.174 -10.973 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.835 -7.637 -8.032 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.503 -7.419 -9.149 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.318 -5.208 -9.771 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.237 -4.190 -8.614 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.720 -5.611 -9.572 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.566 -5.740 -7.804 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.992 -4.068 -7.610 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.229 -5.616 -6.764 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.172 -5.395 -7.839 1.00 0.00 H new ATOM 684 N LYS A 46 -2.275 -10.214 -9.856 1.00 0.00 N ATOM 685 CA LYS A 46 -1.803 -11.587 -10.077 1.00 0.00 C ATOM 686 C LYS A 46 -0.617 -11.925 -9.180 1.00 0.00 C ATOM 687 O LYS A 46 0.104 -12.893 -9.420 1.00 0.00 O ATOM 688 CB LYS A 46 -1.419 -11.835 -11.534 1.00 0.00 C ATOM 689 CG LYS A 46 -1.106 -13.289 -11.796 1.00 0.00 C ATOM 690 CD LYS A 46 -1.292 -13.652 -13.261 1.00 0.00 C ATOM 691 CE LYS A 46 -2.665 -14.252 -13.515 1.00 0.00 C ATOM 692 NZ LYS A 46 -2.855 -15.534 -12.782 1.00 0.00 N ATOM 0 H LYS A 46 -3.030 -10.148 -9.174 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.639 -12.238 -9.822 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.235 -11.517 -12.183 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.552 -11.226 -11.789 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.079 -13.499 -11.497 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.752 -13.916 -11.181 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.163 -12.762 -13.877 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.522 -14.362 -13.562 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.434 -13.542 -13.210 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.795 -14.422 -14.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.530 -16.133 -13.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.943 -16.028 -12.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.225 -15.338 -11.830 1.00 0.00 H new ATOM 706 N ILE A 47 -0.416 -11.115 -8.157 1.00 0.00 N ATOM 707 CA ILE A 47 0.668 -11.325 -7.203 1.00 0.00 C ATOM 708 C ILE A 47 0.236 -12.281 -6.092 1.00 0.00 C ATOM 709 O ILE A 47 -0.878 -12.181 -5.578 1.00 0.00 O ATOM 710 CB ILE A 47 1.137 -9.998 -6.565 1.00 0.00 C ATOM 711 CG1 ILE A 47 1.024 -8.843 -7.566 1.00 0.00 C ATOM 712 CG2 ILE A 47 2.567 -10.127 -6.066 1.00 0.00 C ATOM 713 CD1 ILE A 47 1.390 -7.496 -6.983 1.00 0.00 C ATOM 0 H ILE A 47 -0.993 -10.297 -7.961 1.00 0.00 H new ATOM 0 HA ILE A 47 1.498 -11.758 -7.762 1.00 0.00 H new ATOM 0 HB ILE A 47 0.489 -9.779 -5.716 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.671 -9.048 -8.419 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.003 -8.800 -7.944 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.883 -9.184 -5.619 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.622 -10.919 -5.319 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.223 -10.371 -6.901 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.286 -6.728 -7.749 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.727 -7.268 -6.149 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.421 -7.520 -6.631 1.00 0.00 H new ATOM 725 N PRO A 48 1.114 -13.220 -5.698 1.00 0.00 N ATOM 726 CA PRO A 48 0.820 -14.179 -4.633 1.00 0.00 C ATOM 727 C PRO A 48 0.182 -13.509 -3.420 1.00 0.00 C ATOM 728 O PRO A 48 0.306 -12.298 -3.232 1.00 0.00 O ATOM 729 CB PRO A 48 2.196 -14.762 -4.268 1.00 0.00 C ATOM 730 CG PRO A 48 3.197 -13.976 -5.054 1.00 0.00 C ATOM 731 CD PRO A 48 2.462 -13.415 -6.236 1.00 0.00 C ATOM 0 HA PRO A 48 0.104 -14.935 -4.955 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.385 -14.676 -3.198 1.00 0.00 H new ATOM 0 HB3 PRO A 48 2.249 -15.822 -4.517 1.00 0.00 H new ATOM 0 HG2 PRO A 48 3.626 -13.177 -4.449 1.00 0.00 H new ATOM 0 HG3 PRO A 48 4.023 -14.610 -5.376 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.901 -12.480 -6.582 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.467 -14.102 -7.082 1.00 0.00 H new ATOM 739 N GLU A 49 -0.506 -14.299 -2.605 1.00 0.00 N ATOM 740 CA GLU A 49 -1.176 -13.775 -1.419 1.00 0.00 C ATOM 741 C GLU A 49 -0.208 -13.659 -0.245 1.00 0.00 C ATOM 742 O GLU A 49 -0.436 -14.234 0.818 1.00 0.00 O ATOM 743 CB GLU A 49 -2.354 -14.672 -1.035 1.00 0.00 C ATOM 744 CG GLU A 49 -3.553 -13.903 -0.502 1.00 0.00 C ATOM 745 CD GLU A 49 -4.818 -14.739 -0.475 1.00 0.00 C ATOM 746 OE1 GLU A 49 -4.735 -15.952 -0.762 1.00 0.00 O ATOM 747 OE2 GLU A 49 -5.891 -14.180 -0.167 1.00 0.00 O ATOM 0 H GLU A 49 -0.615 -15.304 -2.742 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.547 -12.778 -1.657 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.661 -15.249 -1.908 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.026 -15.386 -0.280 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.334 -13.549 0.506 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.718 -13.021 -1.121 1.00 0.00 H new ATOM 754 N GLN A 50 0.865 -12.901 -0.441 1.00 0.00 N ATOM 755 CA GLN A 50 1.857 -12.698 0.608 1.00 0.00 C ATOM 756 C GLN A 50 1.384 -11.635 1.595 1.00 0.00 C ATOM 757 O GLN A 50 1.253 -11.896 2.791 1.00 0.00 O ATOM 758 CB GLN A 50 3.198 -12.285 -0.001 1.00 0.00 C ATOM 759 CG GLN A 50 3.565 -13.072 -1.250 1.00 0.00 C ATOM 760 CD GLN A 50 5.060 -13.152 -1.471 1.00 0.00 C ATOM 761 OE1 GLN A 50 5.790 -12.192 -1.226 1.00 0.00 O ATOM 762 NE2 GLN A 50 5.522 -14.305 -1.936 1.00 0.00 N ATOM 0 H GLN A 50 1.070 -12.418 -1.315 1.00 0.00 H new ATOM 0 HA GLN A 50 1.986 -13.639 1.143 1.00 0.00 H new ATOM 0 HB2 GLN A 50 3.165 -11.224 -0.247 1.00 0.00 H new ATOM 0 HB3 GLN A 50 3.982 -12.415 0.745 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.159 -14.080 -1.172 1.00 0.00 H new ATOM 0 HG3 GLN A 50 3.098 -12.607 -2.118 1.00 0.00 H new ATOM 0 HE21 GLN A 50 4.878 -15.074 -2.125 1.00 0.00 H new ATOM 0 HE22 GLN A 50 6.521 -14.423 -2.105 1.00 0.00 H new ATOM 771 N TYR A 51 1.117 -10.440 1.081 1.00 0.00 N ATOM 772 CA TYR A 51 0.641 -9.338 1.908 1.00 0.00 C ATOM 773 C TYR A 51 -0.487 -8.589 1.207 1.00 0.00 C ATOM 774 O TYR A 51 -0.623 -7.373 1.348 1.00 0.00 O ATOM 775 CB TYR A 51 1.789 -8.377 2.227 1.00 0.00 C ATOM 776 CG TYR A 51 3.116 -9.070 2.438 1.00 0.00 C ATOM 777 CD1 TYR A 51 3.942 -9.375 1.363 1.00 0.00 C ATOM 778 CD2 TYR A 51 3.542 -9.421 3.713 1.00 0.00 C ATOM 779 CE1 TYR A 51 5.154 -10.011 1.552 1.00 0.00 C ATOM 780 CE2 TYR A 51 4.754 -10.056 3.910 1.00 0.00 C ATOM 781 CZ TYR A 51 5.556 -10.348 2.826 1.00 0.00 C ATOM 782 OH TYR A 51 6.763 -10.980 3.019 1.00 0.00 O ATOM 0 H TYR A 51 1.222 -10.209 0.093 1.00 0.00 H new ATOM 0 HA TYR A 51 0.257 -9.752 2.841 1.00 0.00 H new ATOM 0 HB2 TYR A 51 1.888 -7.660 1.412 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.538 -7.809 3.123 1.00 0.00 H new ATOM 0 HD1 TYR A 51 3.631 -9.110 0.363 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.916 -9.194 4.564 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.783 -10.243 0.705 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.071 -10.322 4.907 1.00 0.00 H new ATOM 0 HH TYR A 51 6.896 -11.146 3.976 1.00 0.00 H new ATOM 792 N ARG A 52 -1.288 -9.326 0.444 1.00 0.00 N ATOM 793 CA ARG A 52 -2.404 -8.740 -0.286 1.00 0.00 C ATOM 794 C ARG A 52 -3.349 -8.005 0.658 1.00 0.00 C ATOM 795 O ARG A 52 -3.476 -6.782 0.597 1.00 0.00 O ATOM 796 CB ARG A 52 -3.166 -9.830 -1.041 1.00 0.00 C ATOM 797 CG ARG A 52 -3.452 -9.484 -2.492 1.00 0.00 C ATOM 798 CD ARG A 52 -3.382 -10.714 -3.381 1.00 0.00 C ATOM 799 NE ARG A 52 -4.639 -11.457 -3.388 1.00 0.00 N ATOM 800 CZ ARG A 52 -4.877 -12.492 -4.186 1.00 0.00 C ATOM 801 NH1 ARG A 52 -3.949 -12.902 -5.038 1.00 0.00 N ATOM 802 NH2 ARG A 52 -6.046 -13.116 -4.133 1.00 0.00 N ATOM 0 H ARG A 52 -1.184 -10.333 0.316 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.003 -8.020 -0.999 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.590 -10.755 -1.004 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.110 -10.021 -0.530 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.441 -9.032 -2.571 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -2.733 -8.742 -2.839 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.134 -10.412 -4.399 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.578 -11.365 -3.037 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.375 -11.165 -2.745 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.050 -12.423 -5.082 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.134 -13.697 -5.650 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.763 -12.801 -3.479 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.228 -13.911 -4.746 1.00 0.00 H new ATOM 816 N MET A 53 -4.013 -8.758 1.528 1.00 0.00 N ATOM 817 CA MET A 53 -4.947 -8.177 2.483 1.00 0.00 C ATOM 818 C MET A 53 -4.273 -7.087 3.309 1.00 0.00 C ATOM 819 O MET A 53 -4.899 -6.090 3.668 1.00 0.00 O ATOM 820 CB MET A 53 -5.505 -9.262 3.407 1.00 0.00 C ATOM 821 CG MET A 53 -6.411 -10.255 2.699 1.00 0.00 C ATOM 822 SD MET A 53 -7.229 -11.386 3.841 1.00 0.00 S ATOM 823 CE MET A 53 -7.891 -12.597 2.700 1.00 0.00 C ATOM 0 H MET A 53 -3.921 -9.772 1.591 1.00 0.00 H new ATOM 0 HA MET A 53 -5.768 -7.728 1.923 1.00 0.00 H new ATOM 0 HB2 MET A 53 -4.675 -9.801 3.863 1.00 0.00 H new ATOM 0 HB3 MET A 53 -6.061 -8.788 4.216 1.00 0.00 H new ATOM 0 HG2 MET A 53 -7.165 -9.711 2.130 1.00 0.00 H new ATOM 0 HG3 MET A 53 -5.824 -10.830 1.983 1.00 0.00 H new ATOM 0 HE1 MET A 53 -8.427 -13.366 3.256 1.00 0.00 H new ATOM 0 HE2 MET A 53 -8.575 -12.108 2.006 1.00 0.00 H new ATOM 0 HE3 MET A 53 -7.075 -13.056 2.142 1.00 0.00 H new ATOM 833 N THR A 54 -2.994 -7.283 3.604 1.00 0.00 N ATOM 834 CA THR A 54 -2.233 -6.313 4.382 1.00 0.00 C ATOM 835 C THR A 54 -2.239 -4.949 3.699 1.00 0.00 C ATOM 836 O THR A 54 -2.537 -3.932 4.326 1.00 0.00 O ATOM 837 CB THR A 54 -0.794 -6.796 4.568 1.00 0.00 C ATOM 838 OG1 THR A 54 -0.762 -7.988 5.334 1.00 0.00 O ATOM 839 CG2 THR A 54 0.096 -5.784 5.253 1.00 0.00 C ATOM 0 H THR A 54 -2.462 -8.104 3.317 1.00 0.00 H new ATOM 0 HA THR A 54 -2.705 -6.214 5.360 1.00 0.00 H new ATOM 0 HB THR A 54 -0.413 -6.963 3.560 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.166 -8.283 5.441 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.102 -6.192 5.352 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.132 -4.870 4.659 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.303 -5.559 6.242 1.00 0.00 H new ATOM 847 N ILE A 55 -1.914 -4.935 2.411 1.00 0.00 N ATOM 848 CA ILE A 55 -1.895 -3.696 1.644 1.00 0.00 C ATOM 849 C ILE A 55 -3.302 -3.124 1.514 1.00 0.00 C ATOM 850 O ILE A 55 -3.493 -1.908 1.543 1.00 0.00 O ATOM 851 CB ILE A 55 -1.293 -3.909 0.242 1.00 0.00 C ATOM 852 CG1 ILE A 55 0.134 -4.446 0.356 1.00 0.00 C ATOM 853 CG2 ILE A 55 -1.313 -2.610 -0.553 1.00 0.00 C ATOM 854 CD1 ILE A 55 0.652 -5.072 -0.921 1.00 0.00 C ATOM 0 H ILE A 55 -1.661 -5.766 1.877 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.266 -2.989 2.185 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.900 -4.643 -0.288 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.797 -3.631 0.646 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.171 -5.187 1.155 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.884 -2.781 -1.540 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.341 -2.264 -0.659 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.728 -1.854 -0.029 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.669 -5.430 -0.764 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.012 -5.909 -1.202 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.648 -4.329 -1.718 1.00 0.00 H new ATOM 866 N TRP A 56 -4.287 -4.007 1.390 1.00 0.00 N ATOM 867 CA TRP A 56 -5.677 -3.588 1.298 1.00 0.00 C ATOM 868 C TRP A 56 -6.068 -2.802 2.548 1.00 0.00 C ATOM 869 O TRP A 56 -6.516 -1.659 2.461 1.00 0.00 O ATOM 870 CB TRP A 56 -6.581 -4.816 1.120 1.00 0.00 C ATOM 871 CG TRP A 56 -8.033 -4.552 1.380 1.00 0.00 C ATOM 872 CD1 TRP A 56 -8.769 -3.492 0.937 1.00 0.00 C ATOM 873 CD2 TRP A 56 -8.920 -5.362 2.154 1.00 0.00 C ATOM 874 NE1 TRP A 56 -10.063 -3.599 1.387 1.00 0.00 N ATOM 875 CE2 TRP A 56 -10.178 -4.737 2.135 1.00 0.00 C ATOM 876 CE3 TRP A 56 -8.773 -6.558 2.858 1.00 0.00 C ATOM 877 CZ2 TRP A 56 -11.282 -5.263 2.790 1.00 0.00 C ATOM 878 CZ3 TRP A 56 -9.871 -7.084 3.513 1.00 0.00 C ATOM 879 CH2 TRP A 56 -11.114 -6.436 3.475 1.00 0.00 C ATOM 0 H TRP A 56 -4.147 -5.017 1.351 1.00 0.00 H new ATOM 0 HA TRP A 56 -5.802 -2.939 0.431 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -6.468 -5.192 0.103 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -6.241 -5.604 1.791 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -8.391 -2.688 0.323 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -10.815 -2.937 1.194 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -7.819 -7.063 2.891 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -12.240 -4.765 2.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -9.770 -8.008 4.062 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -11.954 -6.871 3.996 1.00 0.00 H new ATOM 890 N ARG A 57 -5.879 -3.422 3.707 1.00 0.00 N ATOM 891 CA ARG A 57 -6.193 -2.778 4.976 1.00 0.00 C ATOM 892 C ARG A 57 -5.500 -1.425 5.077 1.00 0.00 C ATOM 893 O ARG A 57 -6.077 -0.455 5.566 1.00 0.00 O ATOM 894 CB ARG A 57 -5.771 -3.673 6.144 1.00 0.00 C ATOM 895 CG ARG A 57 -6.103 -5.142 5.937 1.00 0.00 C ATOM 896 CD ARG A 57 -6.916 -5.700 7.094 1.00 0.00 C ATOM 897 NE ARG A 57 -6.168 -6.691 7.862 1.00 0.00 N ATOM 898 CZ ARG A 57 -6.046 -7.965 7.501 1.00 0.00 C ATOM 899 NH1 ARG A 57 -6.623 -8.400 6.389 1.00 0.00 N ATOM 900 NH2 ARG A 57 -5.348 -8.805 8.253 1.00 0.00 N ATOM 0 H ARG A 57 -5.510 -4.369 3.794 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.270 -2.620 5.023 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -4.697 -3.570 6.300 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.260 -3.323 7.053 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.661 -5.262 5.008 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.180 -5.713 5.831 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.218 -4.885 7.751 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.829 -6.154 6.709 1.00 0.00 H new ATOM 0 HE ARG A 57 -5.713 -6.389 8.724 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.162 -7.757 5.809 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -6.528 -9.378 6.114 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -4.904 -8.474 9.110 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -5.255 -9.782 7.975 1.00 0.00 H new ATOM 914 N GLY A 58 -4.261 -1.368 4.599 1.00 0.00 N ATOM 915 CA GLY A 58 -3.516 -0.125 4.620 1.00 0.00 C ATOM 916 C GLY A 58 -4.104 0.902 3.676 1.00 0.00 C ATOM 917 O GLY A 58 -4.199 2.084 4.010 1.00 0.00 O ATOM 0 H GLY A 58 -3.761 -2.161 4.198 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.508 0.276 5.633 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.479 -0.319 4.346 1.00 0.00 H new ATOM 921 N LEU A 59 -4.512 0.446 2.495 1.00 0.00 N ATOM 922 CA LEU A 59 -5.118 1.325 1.505 1.00 0.00 C ATOM 923 C LEU A 59 -6.437 1.882 2.028 1.00 0.00 C ATOM 924 O LEU A 59 -6.760 3.050 1.812 1.00 0.00 O ATOM 925 CB LEU A 59 -5.350 0.567 0.195 1.00 0.00 C ATOM 926 CG LEU A 59 -4.654 1.161 -1.029 1.00 0.00 C ATOM 927 CD1 LEU A 59 -3.177 1.390 -0.744 1.00 0.00 C ATOM 928 CD2 LEU A 59 -4.831 0.250 -2.234 1.00 0.00 C ATOM 0 H LEU A 59 -4.433 -0.528 2.202 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.438 2.155 1.315 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.011 -0.461 0.323 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.422 0.528 0.001 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.113 2.124 -1.254 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.697 1.813 -1.627 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.071 2.080 0.093 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.703 0.441 -0.494 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.330 0.687 -3.097 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.397 -0.727 -2.019 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.893 0.136 -2.451 1.00 0.00 H new ATOM 940 N GLN A 60 -7.189 1.039 2.728 1.00 0.00 N ATOM 941 CA GLN A 60 -8.460 1.453 3.307 1.00 0.00 C ATOM 942 C GLN A 60 -8.233 2.535 4.355 1.00 0.00 C ATOM 943 O GLN A 60 -9.074 3.414 4.548 1.00 0.00 O ATOM 944 CB GLN A 60 -9.173 0.254 3.935 1.00 0.00 C ATOM 945 CG GLN A 60 -9.706 -0.740 2.916 1.00 0.00 C ATOM 946 CD GLN A 60 -10.625 -1.773 3.536 1.00 0.00 C ATOM 947 OE1 GLN A 60 -10.039 -2.779 4.173 1.00 0.00 O flip ATOM 948 NE2 GLN A 60 -11.849 -1.668 3.445 1.00 0.00 N flip ATOM 0 H GLN A 60 -6.940 0.066 2.907 1.00 0.00 H new ATOM 0 HA GLN A 60 -9.089 1.858 2.514 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -8.482 -0.259 4.604 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -10.001 0.614 4.546 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -10.244 -0.202 2.136 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -8.869 -1.246 2.435 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -12.257 -0.878 2.946 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -12.454 -2.371 3.869 1.00 0.00 H new ATOM 957 N ASP A 61 -7.083 2.473 5.018 1.00 0.00 N ATOM 958 CA ASP A 61 -6.727 3.462 6.025 1.00 0.00 C ATOM 959 C ASP A 61 -6.755 4.861 5.422 1.00 0.00 C ATOM 960 O ASP A 61 -7.110 5.833 6.091 1.00 0.00 O ATOM 961 CB ASP A 61 -5.340 3.164 6.598 1.00 0.00 C ATOM 962 CG ASP A 61 -5.282 3.346 8.101 1.00 0.00 C ATOM 963 OD1 ASP A 61 -5.507 4.481 8.571 1.00 0.00 O ATOM 964 OD2 ASP A 61 -5.009 2.354 8.810 1.00 0.00 O ATOM 0 H ASP A 61 -6.382 1.746 4.875 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.457 3.412 6.833 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -5.059 2.141 6.348 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.607 3.820 6.127 1.00 0.00 H new ATOM 969 N LEU A 62 -6.394 4.950 4.146 1.00 0.00 N ATOM 970 CA LEU A 62 -6.397 6.221 3.434 1.00 0.00 C ATOM 971 C LEU A 62 -7.807 6.796 3.378 1.00 0.00 C ATOM 972 O LEU A 62 -8.012 7.994 3.572 1.00 0.00 O ATOM 973 CB LEU A 62 -5.858 6.031 2.016 1.00 0.00 C ATOM 974 CG LEU A 62 -4.466 5.403 1.935 1.00 0.00 C ATOM 975 CD1 LEU A 62 -4.268 4.718 0.592 1.00 0.00 C ATOM 976 CD2 LEU A 62 -3.397 6.459 2.165 1.00 0.00 C ATOM 0 H LEU A 62 -6.095 4.154 3.583 1.00 0.00 H new ATOM 0 HA LEU A 62 -5.754 6.919 3.970 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.556 5.406 1.459 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.832 7.001 1.520 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.378 4.649 2.717 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.272 4.277 0.552 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.017 3.936 0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.373 5.450 -0.209 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.411 5.998 2.105 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.482 7.235 1.404 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.530 6.903 3.152 1.00 0.00 H new ATOM 988 N LYS A 63 -8.776 5.926 3.119 1.00 0.00 N ATOM 989 CA LYS A 63 -10.174 6.329 3.047 1.00 0.00 C ATOM 990 C LYS A 63 -10.868 6.104 4.385 1.00 0.00 C ATOM 991 O LYS A 63 -12.025 5.689 4.438 1.00 0.00 O ATOM 992 CB LYS A 63 -10.896 5.547 1.947 1.00 0.00 C ATOM 993 CG LYS A 63 -12.014 6.328 1.275 1.00 0.00 C ATOM 994 CD LYS A 63 -11.480 7.534 0.518 1.00 0.00 C ATOM 995 CE LYS A 63 -11.153 7.183 -0.923 1.00 0.00 C ATOM 996 NZ LYS A 63 -12.298 7.455 -1.836 1.00 0.00 N ATOM 0 H LYS A 63 -8.617 4.932 2.955 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.211 7.392 2.810 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.170 5.246 1.192 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.309 4.633 2.374 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.552 5.675 0.587 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -12.731 6.658 2.027 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -12.218 8.336 0.540 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -10.586 7.910 1.014 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.285 7.757 -1.248 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -10.880 6.130 -0.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -12.034 7.202 -2.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -13.119 6.888 -1.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -12.542 8.465 -1.795 1.00 0.00 H new ATOM 1010 N GLN A 64 -10.145 6.379 5.465 1.00 0.00 N ATOM 1011 CA GLN A 64 -10.679 6.209 6.810 1.00 0.00 C ATOM 1012 C GLN A 64 -10.398 7.440 7.665 1.00 0.00 C ATOM 1013 O GLN A 64 -11.274 7.922 8.384 1.00 0.00 O ATOM 1014 CB GLN A 64 -10.070 4.969 7.469 1.00 0.00 C ATOM 1015 CG GLN A 64 -10.669 3.662 6.977 1.00 0.00 C ATOM 1016 CD GLN A 64 -11.973 3.319 7.672 1.00 0.00 C ATOM 1017 OE1 GLN A 64 -13.012 3.174 7.028 1.00 0.00 O ATOM 1018 NE2 GLN A 64 -11.924 3.191 8.992 1.00 0.00 N ATOM 0 H GLN A 64 -9.185 6.722 5.434 1.00 0.00 H new ATOM 0 HA GLN A 64 -11.758 6.080 6.732 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -8.996 4.959 7.283 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -10.206 5.038 8.548 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -10.841 3.727 5.903 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -9.953 2.856 7.137 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -11.040 3.320 9.484 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -12.770 2.963 9.514 1.00 0.00 H new ATOM 1027 N GLY A 65 -9.172 7.944 7.579 1.00 0.00 N ATOM 1028 CA GLY A 65 -8.798 9.118 8.344 1.00 0.00 C ATOM 1029 C GLY A 65 -9.210 10.406 7.662 1.00 0.00 C ATOM 1030 O GLY A 65 -10.299 10.926 7.906 1.00 0.00 O ATOM 0 H GLY A 65 -8.431 7.560 6.993 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.260 9.068 9.330 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.719 9.120 8.497 1.00 0.00 H new ATOM 1034 N HIS A 66 -8.339 10.922 6.800 1.00 0.00 N ATOM 1035 CA HIS A 66 -8.620 12.155 6.077 1.00 0.00 C ATOM 1036 C HIS A 66 -8.136 12.062 4.633 1.00 0.00 C ATOM 1037 O HIS A 66 -7.641 11.022 4.200 1.00 0.00 O ATOM 1038 CB HIS A 66 -7.956 13.343 6.776 1.00 0.00 C ATOM 1039 CG HIS A 66 -8.932 14.287 7.406 1.00 0.00 C ATOM 1040 ND1 HIS A 66 -10.170 13.890 7.869 1.00 0.00 N ATOM 1041 CD2 HIS A 66 -8.850 15.616 7.651 1.00 0.00 C ATOM 1042 CE1 HIS A 66 -10.806 14.934 8.372 1.00 0.00 C ATOM 1043 NE2 HIS A 66 -10.027 15.993 8.249 1.00 0.00 N ATOM 0 H HIS A 66 -7.433 10.505 6.586 1.00 0.00 H new ATOM 0 HA HIS A 66 -9.700 12.305 6.069 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -7.277 12.970 7.543 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -7.351 13.888 6.052 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -10.537 12.939 7.829 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -8.014 16.260 7.419 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -11.794 14.923 8.809 1.00 0.00 H new ATOM 1052 N ASP A 67 -8.285 13.156 3.892 1.00 0.00 N ATOM 1053 CA ASP A 67 -7.864 13.196 2.496 1.00 0.00 C ATOM 1054 C ASP A 67 -8.153 14.559 1.879 1.00 0.00 C ATOM 1055 O ASP A 67 -9.275 15.061 1.953 1.00 0.00 O ATOM 1056 CB ASP A 67 -8.574 12.103 1.697 1.00 0.00 C ATOM 1057 CG ASP A 67 -10.024 11.934 2.107 1.00 0.00 C ATOM 1058 OD1 ASP A 67 -10.279 11.243 3.115 1.00 0.00 O ATOM 1059 OD2 ASP A 67 -10.904 12.495 1.421 1.00 0.00 O ATOM 0 H ASP A 67 -8.694 14.025 4.235 1.00 0.00 H new ATOM 0 HA ASP A 67 -6.788 13.022 2.462 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -8.526 12.344 0.635 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.048 11.158 1.834 1.00 0.00 H new ATOM 1064 N TYR A 68 -7.137 15.151 1.264 1.00 0.00 N ATOM 1065 CA TYR A 68 -7.281 16.457 0.631 1.00 0.00 C ATOM 1066 C TYR A 68 -7.754 17.502 1.637 1.00 0.00 C ATOM 1067 O TYR A 68 -7.512 17.308 2.846 1.00 0.00 O ATOM 1068 CB TYR A 68 -8.266 16.375 -0.537 1.00 0.00 C ATOM 1069 CG TYR A 68 -7.597 16.247 -1.886 1.00 0.00 C ATOM 1070 CD1 TYR A 68 -7.261 15.001 -2.401 1.00 0.00 C ATOM 1071 CD2 TYR A 68 -7.304 17.372 -2.647 1.00 0.00 C ATOM 1072 CE1 TYR A 68 -6.651 14.881 -3.637 1.00 0.00 C ATOM 1073 CE2 TYR A 68 -6.693 17.260 -3.881 1.00 0.00 C ATOM 1074 CZ TYR A 68 -6.369 16.013 -4.372 1.00 0.00 C ATOM 1075 OH TYR A 68 -5.761 15.897 -5.600 1.00 0.00 O ATOM 1076 OXT TYR A 68 -8.359 18.506 1.206 1.00 0.00 O ATOM 0 H TYR A 68 -6.203 14.747 1.190 1.00 0.00 H new ATOM 0 HA TYR A 68 -6.304 16.759 0.254 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -8.926 15.521 -0.386 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -8.893 17.266 -0.535 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.479 14.112 -1.828 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -7.558 18.351 -2.267 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.397 13.905 -4.024 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -6.470 18.145 -4.458 1.00 0.00 H new ATOM 0 HH TYR A 68 -5.634 16.788 -5.987 1.00 0.00 H new TER 1086 TYR A 68