USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 439 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 6 CYS SG : rot 180:sc= -1.41 USER MOD Single : A 8 THR OG1 : rot 167:sc= 1.17 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 19 GLN : amide:sc= -0.0617 X(o=-0.062,f=-0.081) USER MOD Single : A 30 THR OG1 : rot 39:sc= 0.396 USER MOD Single : A 33 GLN : amide:sc= -0.117 X(o=-0.12,f=-0.029) USER MOD Single : A 44 LYS NZ :NH3+ -148:sc= 1.18 (180deg=0.688) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot -154:sc= 0.0338 USER MOD Single : A 58 GLN : amide:sc= -0.0446 X(o=-0.045,f=-0.31) USER MOD ----------------------------------------------------------------- ATOM 31 N GLY A 3 -4.518 12.407 8.821 1.00 0.00 N ATOM 32 CA GLY A 3 -3.452 11.472 8.464 1.00 0.00 C ATOM 33 C GLY A 3 -3.168 11.456 6.966 1.00 0.00 C ATOM 34 O GLY A 3 -3.943 12.003 6.169 1.00 0.00 O ATOM 0 HA2 GLY A 3 -2.542 11.741 9.000 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -3.729 10.469 8.789 1.00 0.00 H new ATOM 38 N ALA A 4 -2.041 10.834 6.590 1.00 0.00 N ATOM 39 CA ALA A 4 -1.593 10.719 5.193 1.00 0.00 C ATOM 40 C ALA A 4 -1.543 9.237 4.781 1.00 0.00 C ATOM 41 O ALA A 4 -1.042 8.389 5.534 1.00 0.00 O ATOM 42 CB ALA A 4 -0.216 11.387 5.003 1.00 0.00 C ATOM 0 H ALA A 4 -1.407 10.391 7.255 1.00 0.00 H new ATOM 0 HA ALA A 4 -2.306 11.238 4.552 1.00 0.00 H new ATOM 0 HB1 ALA A 4 0.095 11.290 3.963 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -0.285 12.443 5.264 1.00 0.00 H new ATOM 0 HB3 ALA A 4 0.516 10.901 5.648 1.00 0.00 H new ATOM 48 N ARG A 5 -2.073 8.950 3.584 1.00 0.00 N ATOM 49 CA ARG A 5 -2.099 7.604 2.996 1.00 0.00 C ATOM 50 C ARG A 5 -2.170 7.713 1.457 1.00 0.00 C ATOM 51 O ARG A 5 -2.247 8.816 0.894 1.00 0.00 O ATOM 52 CB ARG A 5 -3.301 6.747 3.536 1.00 0.00 C ATOM 53 CG ARG A 5 -4.700 7.039 2.905 1.00 0.00 C ATOM 54 CD ARG A 5 -5.310 8.378 3.341 1.00 0.00 C ATOM 55 NE ARG A 5 -5.677 8.366 4.762 1.00 0.00 N ATOM 56 CZ ARG A 5 -6.226 9.378 5.423 1.00 0.00 C ATOM 57 NH1 ARG A 5 -6.397 10.571 4.856 1.00 0.00 N ATOM 58 NH2 ARG A 5 -6.582 9.201 6.678 1.00 0.00 N ATOM 0 H ARG A 5 -2.502 9.658 2.988 1.00 0.00 H new ATOM 0 HA ARG A 5 -1.182 7.093 3.288 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -3.068 5.694 3.378 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -3.373 6.900 4.613 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -4.607 7.029 1.819 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -5.384 6.234 3.174 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -4.597 9.181 3.155 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -6.193 8.590 2.738 1.00 0.00 H new ATOM 0 HE ARG A 5 -5.495 7.509 5.285 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -6.103 10.724 3.891 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -6.822 11.332 5.387 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -6.435 8.297 7.127 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -7.005 9.968 7.201 1.00 0.00 H new ATOM 72 N CYS A 6 -2.140 6.553 0.801 1.00 0.00 N ATOM 73 CA CYS A 6 -2.407 6.416 -0.637 1.00 0.00 C ATOM 74 C CYS A 6 -3.553 5.401 -0.819 1.00 0.00 C ATOM 75 O CYS A 6 -4.135 4.944 0.171 1.00 0.00 O ATOM 76 CB CYS A 6 -1.117 5.974 -1.343 1.00 0.00 C ATOM 77 SG CYS A 6 0.290 7.074 -1.057 1.00 0.00 S ATOM 0 H CYS A 6 -1.927 5.666 1.258 1.00 0.00 H new ATOM 0 HA CYS A 6 -2.716 7.362 -1.082 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -0.856 4.971 -1.006 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -1.304 5.911 -2.415 1.00 0.00 H new ATOM 0 HG CYS A 6 1.331 6.620 -1.689 1.00 0.00 H new ATOM 83 N ARG A 7 -3.908 5.073 -2.070 1.00 0.00 N ATOM 84 CA ARG A 7 -4.960 4.081 -2.353 1.00 0.00 C ATOM 85 C ARG A 7 -4.573 3.254 -3.585 1.00 0.00 C ATOM 86 O ARG A 7 -4.247 3.825 -4.623 1.00 0.00 O ATOM 87 CB ARG A 7 -6.318 4.804 -2.562 1.00 0.00 C ATOM 88 CG ARG A 7 -7.523 3.859 -2.765 1.00 0.00 C ATOM 89 CD ARG A 7 -8.888 4.578 -2.763 1.00 0.00 C ATOM 90 NE ARG A 7 -9.048 5.534 -3.878 1.00 0.00 N ATOM 91 CZ ARG A 7 -10.142 6.279 -4.101 1.00 0.00 C ATOM 92 NH1 ARG A 7 -11.199 6.201 -3.304 1.00 0.00 N ATOM 93 NH2 ARG A 7 -10.178 7.094 -5.131 1.00 0.00 N ATOM 0 H ARG A 7 -3.483 5.479 -2.903 1.00 0.00 H new ATOM 0 HA ARG A 7 -5.064 3.401 -1.507 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -6.513 5.440 -1.699 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -6.236 5.459 -3.429 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -7.403 3.331 -3.711 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -7.519 3.106 -1.977 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -9.683 3.834 -2.815 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -9.010 5.109 -1.819 1.00 0.00 H new ATOM 0 HE ARG A 7 -8.268 5.636 -4.527 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -11.190 5.567 -2.505 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -12.021 6.775 -3.490 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -9.376 7.159 -5.758 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -11.008 7.662 -5.303 1.00 0.00 H new ATOM 107 N THR A 8 -4.617 1.911 -3.459 1.00 0.00 N ATOM 108 CA THR A 8 -4.207 0.972 -4.526 1.00 0.00 C ATOM 109 C THR A 8 -5.146 1.027 -5.748 1.00 0.00 C ATOM 110 O THR A 8 -6.353 1.252 -5.615 1.00 0.00 O ATOM 111 CB THR A 8 -4.132 -0.497 -3.976 1.00 0.00 C ATOM 112 OG1 THR A 8 -5.280 -0.760 -3.147 1.00 0.00 O ATOM 113 CG2 THR A 8 -2.838 -0.749 -3.174 1.00 0.00 C ATOM 0 H THR A 8 -4.939 1.445 -2.611 1.00 0.00 H new ATOM 0 HA THR A 8 -3.216 1.285 -4.856 1.00 0.00 H new ATOM 0 HB THR A 8 -4.125 -1.173 -4.831 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.342 -1.722 -2.969 1.00 0.00 H new ATOM 0 HG21 THR A 8 -2.828 -1.777 -2.813 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.973 -0.582 -3.816 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.797 -0.066 -2.326 1.00 0.00 H new ATOM 121 N LEU A 9 -4.558 0.793 -6.936 1.00 0.00 N ATOM 122 CA LEU A 9 -5.270 0.847 -8.224 1.00 0.00 C ATOM 123 C LEU A 9 -5.969 -0.494 -8.503 1.00 0.00 C ATOM 124 O LEU A 9 -7.169 -0.541 -8.775 1.00 0.00 O ATOM 125 CB LEU A 9 -4.258 1.179 -9.357 1.00 0.00 C ATOM 126 CG LEU A 9 -3.403 2.472 -9.147 1.00 0.00 C ATOM 127 CD1 LEU A 9 -2.367 2.654 -10.279 1.00 0.00 C ATOM 128 CD2 LEU A 9 -4.303 3.718 -8.992 1.00 0.00 C ATOM 0 H LEU A 9 -3.569 0.560 -7.028 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.032 1.626 -8.184 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.581 0.333 -9.473 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.808 1.278 -10.293 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.847 2.353 -8.217 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.790 3.562 -10.102 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.696 1.796 -10.299 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.883 2.733 -11.236 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.680 4.601 -8.848 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.908 3.844 -9.890 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.956 3.590 -8.129 1.00 0.00 H new ATOM 140 N TYR A 10 -5.188 -1.587 -8.422 1.00 0.00 N ATOM 141 CA TYR A 10 -5.650 -2.963 -8.718 1.00 0.00 C ATOM 142 C TYR A 10 -5.050 -3.938 -7.670 1.00 0.00 C ATOM 143 O TYR A 10 -4.174 -3.523 -6.902 1.00 0.00 O ATOM 144 CB TYR A 10 -5.249 -3.356 -10.175 1.00 0.00 C ATOM 145 CG TYR A 10 -5.987 -2.540 -11.249 1.00 0.00 C ATOM 146 CD1 TYR A 10 -7.358 -2.720 -11.480 1.00 0.00 C ATOM 147 CD2 TYR A 10 -5.324 -1.572 -12.005 1.00 0.00 C ATOM 148 CE1 TYR A 10 -8.025 -1.964 -12.423 1.00 0.00 C ATOM 149 CE2 TYR A 10 -5.996 -0.817 -12.938 1.00 0.00 C ATOM 150 CZ TYR A 10 -7.339 -1.015 -13.147 1.00 0.00 C ATOM 151 OH TYR A 10 -8.006 -0.251 -14.081 1.00 0.00 O ATOM 0 H TYR A 10 -4.207 -1.543 -8.146 1.00 0.00 H new ATOM 0 HA TYR A 10 -6.737 -3.019 -8.652 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.175 -3.219 -10.298 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -5.455 -4.415 -10.328 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -7.900 -3.461 -10.912 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.266 -1.413 -11.855 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -9.081 -2.116 -12.592 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -5.467 -0.067 -13.507 1.00 0.00 H new ATOM 0 HH TYR A 10 -7.378 0.372 -14.503 1.00 0.00 H new ATOM 161 N PRO A 11 -5.545 -5.230 -7.560 1.00 0.00 N ATOM 162 CA PRO A 11 -4.933 -6.225 -6.651 1.00 0.00 C ATOM 163 C PRO A 11 -3.516 -6.593 -7.129 1.00 0.00 C ATOM 164 O PRO A 11 -3.352 -7.397 -8.049 1.00 0.00 O ATOM 165 CB PRO A 11 -5.905 -7.447 -6.698 1.00 0.00 C ATOM 166 CG PRO A 11 -7.163 -6.900 -7.304 1.00 0.00 C ATOM 167 CD PRO A 11 -6.719 -5.814 -8.262 1.00 0.00 C ATOM 0 HA PRO A 11 -4.810 -5.853 -5.634 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.495 -8.258 -7.299 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -6.086 -7.849 -5.701 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.717 -7.680 -7.826 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.825 -6.498 -6.537 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -6.449 -6.218 -9.238 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -7.502 -5.074 -8.429 1.00 0.00 H new ATOM 175 N PHE A 12 -2.512 -5.920 -6.556 1.00 0.00 N ATOM 176 CA PHE A 12 -1.095 -6.104 -6.929 1.00 0.00 C ATOM 177 C PHE A 12 -0.389 -7.078 -5.974 1.00 0.00 C ATOM 178 O PHE A 12 -0.803 -7.258 -4.822 1.00 0.00 O ATOM 179 CB PHE A 12 -0.363 -4.733 -6.953 1.00 0.00 C ATOM 180 CG PHE A 12 -0.852 -3.772 -8.045 1.00 0.00 C ATOM 181 CD1 PHE A 12 -0.843 -4.159 -9.387 1.00 0.00 C ATOM 182 CD2 PHE A 12 -1.309 -2.493 -7.738 1.00 0.00 C ATOM 183 CE1 PHE A 12 -1.269 -3.295 -10.380 1.00 0.00 C ATOM 184 CE2 PHE A 12 -1.736 -1.631 -8.733 1.00 0.00 C ATOM 185 CZ PHE A 12 -1.716 -2.032 -10.050 1.00 0.00 C ATOM 0 H PHE A 12 -2.654 -5.230 -5.819 1.00 0.00 H new ATOM 0 HA PHE A 12 -1.061 -6.537 -7.929 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -0.485 -4.253 -5.982 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.704 -4.907 -7.091 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.498 -5.147 -9.653 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.331 -2.169 -6.708 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -1.252 -3.609 -11.413 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.086 -0.642 -8.476 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.050 -1.358 -10.825 1.00 0.00 H new ATOM 195 N SER A 13 0.675 -7.707 -6.483 1.00 0.00 N ATOM 196 CA SER A 13 1.482 -8.695 -5.751 1.00 0.00 C ATOM 197 C SER A 13 2.962 -8.264 -5.687 1.00 0.00 C ATOM 198 O SER A 13 3.755 -8.869 -4.959 1.00 0.00 O ATOM 199 CB SER A 13 1.350 -10.075 -6.446 1.00 0.00 C ATOM 200 OG SER A 13 0.020 -10.570 -6.386 1.00 0.00 O ATOM 0 H SER A 13 1.008 -7.542 -7.433 1.00 0.00 H new ATOM 0 HA SER A 13 1.114 -8.764 -4.727 1.00 0.00 H new ATOM 0 HB2 SER A 13 1.659 -9.989 -7.488 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.025 -10.787 -5.971 1.00 0.00 H new ATOM 0 HG SER A 13 -0.026 -11.440 -6.835 1.00 0.00 H new ATOM 206 N GLY A 14 3.326 -7.224 -6.465 1.00 0.00 N ATOM 207 CA GLY A 14 4.719 -6.809 -6.626 1.00 0.00 C ATOM 208 C GLY A 14 5.328 -7.422 -7.877 1.00 0.00 C ATOM 209 O GLY A 14 6.001 -6.731 -8.652 1.00 0.00 O ATOM 0 H GLY A 14 2.662 -6.657 -6.992 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.774 -5.722 -6.685 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.296 -7.110 -5.751 1.00 0.00 H new ATOM 213 N GLU A 15 5.094 -8.753 -8.045 1.00 0.00 N ATOM 214 CA GLU A 15 5.552 -9.557 -9.209 1.00 0.00 C ATOM 215 C GLU A 15 7.097 -9.626 -9.303 1.00 0.00 C ATOM 216 O GLU A 15 7.654 -10.013 -10.334 1.00 0.00 O ATOM 217 CB GLU A 15 4.906 -9.035 -10.535 1.00 0.00 C ATOM 218 CG GLU A 15 3.365 -9.150 -10.572 1.00 0.00 C ATOM 219 CD GLU A 15 2.745 -8.516 -11.828 1.00 0.00 C ATOM 220 OE1 GLU A 15 2.695 -9.178 -12.885 1.00 0.00 O ATOM 221 OE2 GLU A 15 2.325 -7.342 -11.766 1.00 0.00 O ATOM 0 H GLU A 15 4.573 -9.304 -7.363 1.00 0.00 H new ATOM 0 HA GLU A 15 5.211 -10.581 -9.054 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.186 -7.991 -10.677 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.322 -9.593 -11.374 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.084 -10.202 -10.526 1.00 0.00 H new ATOM 0 HG3 GLU A 15 2.949 -8.670 -9.686 1.00 0.00 H new ATOM 228 N ARG A 16 7.773 -9.287 -8.194 1.00 0.00 N ATOM 229 CA ARG A 16 9.236 -9.337 -8.065 1.00 0.00 C ATOM 230 C ARG A 16 9.596 -10.274 -6.897 1.00 0.00 C ATOM 231 O ARG A 16 8.782 -10.459 -5.976 1.00 0.00 O ATOM 232 CB ARG A 16 9.818 -7.912 -7.821 1.00 0.00 C ATOM 233 CG ARG A 16 9.461 -6.874 -8.921 1.00 0.00 C ATOM 234 CD ARG A 16 10.155 -5.512 -8.711 1.00 0.00 C ATOM 235 NE ARG A 16 9.724 -4.501 -9.705 1.00 0.00 N ATOM 236 CZ ARG A 16 10.413 -3.392 -10.037 1.00 0.00 C ATOM 237 NH1 ARG A 16 11.634 -3.179 -9.556 1.00 0.00 N ATOM 238 NH2 ARG A 16 9.877 -2.512 -10.873 1.00 0.00 N ATOM 0 H ARG A 16 7.308 -8.964 -7.346 1.00 0.00 H new ATOM 0 HA ARG A 16 9.670 -9.717 -8.990 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.456 -7.545 -6.861 1.00 0.00 H new ATOM 0 HB3 ARG A 16 10.903 -7.984 -7.746 1.00 0.00 H new ATOM 0 HG2 ARG A 16 9.743 -7.273 -9.895 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.381 -6.727 -8.938 1.00 0.00 H new ATOM 0 HD2 ARG A 16 9.937 -5.147 -7.707 1.00 0.00 H new ATOM 0 HD3 ARG A 16 11.235 -5.644 -8.775 1.00 0.00 H new ATOM 0 HE ARG A 16 8.833 -4.658 -10.176 1.00 0.00 H new ATOM 0 HH11 ARG A 16 12.060 -3.860 -8.927 1.00 0.00 H new ATOM 0 HH12 ARG A 16 12.144 -2.335 -9.816 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.948 -2.677 -11.261 1.00 0.00 H new ATOM 0 HH22 ARG A 16 10.394 -1.670 -11.128 1.00 0.00 H new ATOM 252 N HIS A 17 10.806 -10.854 -6.945 1.00 0.00 N ATOM 253 CA HIS A 17 11.308 -11.774 -5.896 1.00 0.00 C ATOM 254 C HIS A 17 11.613 -11.008 -4.593 1.00 0.00 C ATOM 255 O HIS A 17 11.895 -9.801 -4.625 1.00 0.00 O ATOM 256 CB HIS A 17 12.577 -12.518 -6.385 1.00 0.00 C ATOM 257 CG HIS A 17 12.367 -13.327 -7.644 1.00 0.00 C ATOM 258 ND1 HIS A 17 13.122 -13.105 -8.771 1.00 0.00 N ATOM 259 CD2 HIS A 17 11.499 -14.344 -7.891 1.00 0.00 C ATOM 260 CE1 HIS A 17 12.701 -13.979 -9.668 1.00 0.00 C ATOM 261 NE2 HIS A 17 11.724 -14.752 -9.179 1.00 0.00 N ATOM 0 H HIS A 17 11.467 -10.703 -7.707 1.00 0.00 H new ATOM 0 HA HIS A 17 10.528 -12.507 -5.691 1.00 0.00 H new ATOM 0 HB2 HIS A 17 13.368 -11.789 -6.561 1.00 0.00 H new ATOM 0 HB3 HIS A 17 12.925 -13.181 -5.593 1.00 0.00 H new ATOM 0 HD2 HIS A 17 10.772 -14.752 -7.204 1.00 0.00 H new ATOM 0 HE1 HIS A 17 13.096 -14.060 -10.670 1.00 0.00 H new ATOM 0 HE2 HIS A 17 11.239 -15.502 -9.672 1.00 0.00 H new ATOM 269 N GLY A 18 11.550 -11.725 -3.454 1.00 0.00 N ATOM 270 CA GLY A 18 11.813 -11.145 -2.132 1.00 0.00 C ATOM 271 C GLY A 18 10.531 -10.991 -1.328 1.00 0.00 C ATOM 272 O GLY A 18 9.876 -11.993 -1.021 1.00 0.00 O ATOM 0 H GLY A 18 11.316 -12.718 -3.429 1.00 0.00 H new ATOM 0 HA2 GLY A 18 12.512 -11.780 -1.587 1.00 0.00 H new ATOM 0 HA3 GLY A 18 12.290 -10.172 -2.248 1.00 0.00 H new ATOM 276 N GLN A 19 10.155 -9.741 -1.004 1.00 0.00 N ATOM 277 CA GLN A 19 8.954 -9.434 -0.218 1.00 0.00 C ATOM 278 C GLN A 19 7.773 -9.189 -1.175 1.00 0.00 C ATOM 279 O GLN A 19 7.412 -8.040 -1.487 1.00 0.00 O ATOM 280 CB GLN A 19 9.204 -8.221 0.727 1.00 0.00 C ATOM 281 CG GLN A 19 8.048 -7.906 1.700 1.00 0.00 C ATOM 282 CD GLN A 19 7.756 -9.049 2.672 1.00 0.00 C ATOM 283 OE1 GLN A 19 6.940 -9.931 2.395 1.00 0.00 O ATOM 284 NE2 GLN A 19 8.419 -9.043 3.819 1.00 0.00 N ATOM 0 H GLN A 19 10.681 -8.913 -1.283 1.00 0.00 H new ATOM 0 HA GLN A 19 8.708 -10.281 0.422 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.107 -8.411 1.308 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.397 -7.338 0.118 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.293 -7.008 2.267 1.00 0.00 H new ATOM 0 HG3 GLN A 19 7.148 -7.685 1.126 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.088 -8.299 4.018 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.261 -9.783 4.503 1.00 0.00 H new ATOM 293 N GLY A 20 7.243 -10.297 -1.705 1.00 0.00 N ATOM 294 CA GLY A 20 6.055 -10.284 -2.540 1.00 0.00 C ATOM 295 C GLY A 20 4.798 -10.342 -1.687 1.00 0.00 C ATOM 296 O GLY A 20 4.362 -11.427 -1.293 1.00 0.00 O ATOM 0 H GLY A 20 7.634 -11.228 -1.561 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.044 -9.382 -3.152 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.076 -11.132 -3.224 1.00 0.00 H new ATOM 300 N LEU A 21 4.250 -9.171 -1.358 1.00 0.00 N ATOM 301 CA LEU A 21 3.008 -9.053 -0.583 1.00 0.00 C ATOM 302 C LEU A 21 1.822 -8.807 -1.543 1.00 0.00 C ATOM 303 O LEU A 21 1.910 -7.948 -2.428 1.00 0.00 O ATOM 304 CB LEU A 21 3.137 -7.888 0.452 1.00 0.00 C ATOM 305 CG LEU A 21 1.959 -7.745 1.472 1.00 0.00 C ATOM 306 CD1 LEU A 21 1.860 -8.965 2.418 1.00 0.00 C ATOM 307 CD2 LEU A 21 2.059 -6.428 2.270 1.00 0.00 C ATOM 0 H LEU A 21 4.655 -8.273 -1.621 1.00 0.00 H new ATOM 0 HA LEU A 21 2.827 -9.978 -0.036 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.062 -8.026 1.012 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.233 -6.951 -0.096 1.00 0.00 H new ATOM 0 HG LEU A 21 1.038 -7.713 0.889 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.029 -8.823 3.109 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.694 -9.868 1.831 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.788 -9.065 2.982 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.225 -6.362 2.969 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.998 -6.408 2.823 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.025 -5.583 1.583 1.00 0.00 H new ATOM 319 N ARG A 22 0.737 -9.593 -1.386 1.00 0.00 N ATOM 320 CA ARG A 22 -0.557 -9.320 -2.051 1.00 0.00 C ATOM 321 C ARG A 22 -1.258 -8.178 -1.297 1.00 0.00 C ATOM 322 O ARG A 22 -0.951 -7.920 -0.128 1.00 0.00 O ATOM 323 CB ARG A 22 -1.488 -10.582 -2.066 1.00 0.00 C ATOM 324 CG ARG A 22 -1.208 -11.655 -3.159 1.00 0.00 C ATOM 325 CD ARG A 22 0.092 -12.467 -2.966 1.00 0.00 C ATOM 326 NE ARG A 22 1.293 -11.751 -3.429 1.00 0.00 N ATOM 327 CZ ARG A 22 2.467 -12.324 -3.722 1.00 0.00 C ATOM 328 NH1 ARG A 22 2.695 -13.598 -3.446 1.00 0.00 N ATOM 329 NH2 ARG A 22 3.434 -11.600 -4.237 1.00 0.00 N ATOM 0 H ARG A 22 0.731 -10.428 -0.800 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.362 -9.045 -3.088 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.419 -11.065 -1.091 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.517 -10.242 -2.181 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.049 -12.348 -3.189 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.168 -11.160 -4.129 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.207 -12.713 -1.910 1.00 0.00 H new ATOM 0 HD3 ARG A 22 0.008 -13.410 -3.505 1.00 0.00 H new ATOM 0 HE ARG A 22 1.225 -10.739 -3.535 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.970 -14.161 -3.002 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.596 -14.017 -3.677 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.289 -10.606 -4.412 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.330 -12.032 -4.462 1.00 0.00 H new ATOM 343 N PHE A 23 -2.190 -7.491 -1.965 1.00 0.00 N ATOM 344 CA PHE A 23 -3.011 -6.455 -1.324 1.00 0.00 C ATOM 345 C PHE A 23 -4.294 -6.239 -2.132 1.00 0.00 C ATOM 346 O PHE A 23 -4.306 -6.426 -3.353 1.00 0.00 O ATOM 347 CB PHE A 23 -2.207 -5.132 -1.177 1.00 0.00 C ATOM 348 CG PHE A 23 -2.756 -4.172 -0.122 1.00 0.00 C ATOM 349 CD1 PHE A 23 -2.553 -4.418 1.236 1.00 0.00 C ATOM 350 CD2 PHE A 23 -3.472 -3.036 -0.482 1.00 0.00 C ATOM 351 CE1 PHE A 23 -3.046 -3.556 2.197 1.00 0.00 C ATOM 352 CE2 PHE A 23 -3.966 -2.176 0.481 1.00 0.00 C ATOM 353 CZ PHE A 23 -3.754 -2.434 1.819 1.00 0.00 C ATOM 0 H PHE A 23 -2.396 -7.634 -2.954 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.285 -6.785 -0.322 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -1.174 -5.375 -0.927 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -2.190 -4.622 -2.140 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -2.002 -5.295 1.541 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -3.644 -2.823 -1.527 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -2.877 -3.761 3.244 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -4.521 -1.298 0.184 1.00 0.00 H new ATOM 0 HZ PHE A 23 -4.141 -1.760 2.569 1.00 0.00 H new ATOM 363 N ALA A 24 -5.361 -5.840 -1.426 1.00 0.00 N ATOM 364 CA ALA A 24 -6.684 -5.599 -2.012 1.00 0.00 C ATOM 365 C ALA A 24 -6.721 -4.237 -2.734 1.00 0.00 C ATOM 366 O ALA A 24 -6.113 -3.272 -2.263 1.00 0.00 O ATOM 367 CB ALA A 24 -7.757 -5.676 -0.912 1.00 0.00 C ATOM 0 H ALA A 24 -5.328 -5.674 -0.420 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.892 -6.369 -2.755 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.739 -5.497 -1.349 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.738 -6.665 -0.454 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.554 -4.921 -0.153 1.00 0.00 H new ATOM 373 N ALA A 25 -7.437 -4.178 -3.875 1.00 0.00 N ATOM 374 CA ALA A 25 -7.586 -2.952 -4.678 1.00 0.00 C ATOM 375 C ALA A 25 -8.466 -1.926 -3.968 1.00 0.00 C ATOM 376 O ALA A 25 -9.419 -2.298 -3.273 1.00 0.00 O ATOM 377 CB ALA A 25 -8.201 -3.288 -6.039 1.00 0.00 C ATOM 0 H ALA A 25 -7.929 -4.982 -4.265 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.594 -2.522 -4.815 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.307 -2.375 -6.626 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.553 -3.986 -6.569 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.181 -3.742 -5.893 1.00 0.00 H new ATOM 383 N GLY A 26 -8.134 -0.636 -4.154 1.00 0.00 N ATOM 384 CA GLY A 26 -8.960 0.464 -3.657 1.00 0.00 C ATOM 385 C GLY A 26 -8.875 0.643 -2.150 1.00 0.00 C ATOM 386 O GLY A 26 -9.755 1.258 -1.552 1.00 0.00 O ATOM 0 H GLY A 26 -7.294 -0.335 -4.648 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.653 1.389 -4.144 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -9.998 0.286 -3.937 1.00 0.00 H new ATOM 390 N GLU A 27 -7.808 0.103 -1.536 1.00 0.00 N ATOM 391 CA GLU A 27 -7.607 0.143 -0.078 1.00 0.00 C ATOM 392 C GLU A 27 -6.461 1.098 0.288 1.00 0.00 C ATOM 393 O GLU A 27 -5.565 1.364 -0.532 1.00 0.00 O ATOM 394 CB GLU A 27 -7.349 -1.288 0.456 1.00 0.00 C ATOM 395 CG GLU A 27 -8.520 -2.269 0.240 1.00 0.00 C ATOM 396 CD GLU A 27 -9.811 -1.841 0.960 1.00 0.00 C ATOM 397 OE1 GLU A 27 -9.903 -2.034 2.188 1.00 0.00 O ATOM 398 OE2 GLU A 27 -10.731 -1.292 0.311 1.00 0.00 O ATOM 0 H GLU A 27 -7.059 -0.374 -2.038 1.00 0.00 H new ATOM 0 HA GLU A 27 -8.511 0.526 0.396 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.460 -1.690 -0.030 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -7.131 -1.231 1.522 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -8.719 -2.357 -0.828 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -8.226 -3.258 0.592 1.00 0.00 H new ATOM 405 N LEU A 28 -6.507 1.592 1.537 1.00 0.00 N ATOM 406 CA LEU A 28 -5.614 2.650 2.031 1.00 0.00 C ATOM 407 C LEU A 28 -4.244 2.077 2.411 1.00 0.00 C ATOM 408 O LEU A 28 -4.159 1.139 3.217 1.00 0.00 O ATOM 409 CB LEU A 28 -6.246 3.379 3.257 1.00 0.00 C ATOM 410 CG LEU A 28 -7.662 3.996 3.028 1.00 0.00 C ATOM 411 CD1 LEU A 28 -8.151 4.766 4.272 1.00 0.00 C ATOM 412 CD2 LEU A 28 -7.708 4.883 1.766 1.00 0.00 C ATOM 0 H LEU A 28 -7.172 1.264 2.237 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.477 3.372 1.226 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.309 2.671 4.083 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.570 4.175 3.570 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.348 3.165 2.862 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.139 5.182 4.077 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.204 4.087 5.123 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.455 5.574 4.496 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.711 5.292 1.645 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.993 5.700 1.869 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.452 4.285 0.891 1.00 0.00 H new ATOM 424 N ILE A 29 -3.186 2.640 1.809 1.00 0.00 N ATOM 425 CA ILE A 29 -1.800 2.329 2.165 1.00 0.00 C ATOM 426 C ILE A 29 -1.359 3.268 3.283 1.00 0.00 C ATOM 427 O ILE A 29 -1.143 4.465 3.049 1.00 0.00 O ATOM 428 CB ILE A 29 -0.848 2.478 0.914 1.00 0.00 C ATOM 429 CG1 ILE A 29 -1.286 1.496 -0.207 1.00 0.00 C ATOM 430 CG2 ILE A 29 0.652 2.279 1.286 1.00 0.00 C ATOM 431 CD1 ILE A 29 -1.298 0.040 0.218 1.00 0.00 C ATOM 0 H ILE A 29 -3.272 3.326 1.059 1.00 0.00 H new ATOM 0 HA ILE A 29 -1.739 1.295 2.504 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.941 3.499 0.544 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.284 1.772 -0.549 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -0.615 1.610 -1.058 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.266 2.391 0.393 1.00 0.00 H new ATOM 0 HG22 ILE A 29 0.946 3.025 2.024 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.795 1.281 1.702 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.614 -0.581 -0.620 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.297 -0.256 0.531 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.991 -0.091 1.049 1.00 0.00 H new ATOM 443 N THR A 30 -1.254 2.715 4.496 1.00 0.00 N ATOM 444 CA THR A 30 -0.768 3.434 5.664 1.00 0.00 C ATOM 445 C THR A 30 0.746 3.615 5.534 1.00 0.00 C ATOM 446 O THR A 30 1.501 2.631 5.609 1.00 0.00 O ATOM 447 CB THR A 30 -1.140 2.663 6.976 1.00 0.00 C ATOM 448 OG1 THR A 30 -0.666 1.302 6.905 1.00 0.00 O ATOM 449 CG2 THR A 30 -2.666 2.671 7.218 1.00 0.00 C ATOM 0 H THR A 30 -1.508 1.746 4.690 1.00 0.00 H new ATOM 0 HA THR A 30 -1.240 4.415 5.721 1.00 0.00 H new ATOM 0 HB THR A 30 -0.658 3.173 7.810 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.211 1.283 6.468 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.892 2.128 8.136 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.014 3.700 7.310 1.00 0.00 H new ATOM 0 HG23 THR A 30 -3.170 2.191 6.379 1.00 0.00 H new ATOM 457 N LEU A 31 1.161 4.867 5.272 1.00 0.00 N ATOM 458 CA LEU A 31 2.569 5.206 5.031 1.00 0.00 C ATOM 459 C LEU A 31 3.373 4.988 6.333 1.00 0.00 C ATOM 460 O LEU A 31 3.385 5.852 7.217 1.00 0.00 O ATOM 461 CB LEU A 31 2.710 6.670 4.502 1.00 0.00 C ATOM 462 CG LEU A 31 1.774 7.086 3.311 1.00 0.00 C ATOM 463 CD1 LEU A 31 2.082 8.533 2.839 1.00 0.00 C ATOM 464 CD2 LEU A 31 1.845 6.069 2.139 1.00 0.00 C ATOM 0 H LEU A 31 0.530 5.667 5.222 1.00 0.00 H new ATOM 0 HA LEU A 31 2.973 4.552 4.258 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.525 7.351 5.333 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.744 6.821 4.190 1.00 0.00 H new ATOM 0 HG LEU A 31 0.748 7.071 3.678 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.420 8.795 2.014 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.925 9.226 3.665 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.118 8.594 2.506 1.00 0.00 H new ATOM 0 HD21 LEU A 31 1.183 6.393 1.336 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.868 6.014 1.767 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.533 5.086 2.491 1.00 0.00 H new ATOM 476 N LEU A 32 3.951 3.780 6.455 1.00 0.00 N ATOM 477 CA LEU A 32 4.749 3.363 7.622 1.00 0.00 C ATOM 478 C LEU A 32 6.122 4.036 7.573 1.00 0.00 C ATOM 479 O LEU A 32 6.566 4.655 8.546 1.00 0.00 O ATOM 480 CB LEU A 32 4.928 1.817 7.612 1.00 0.00 C ATOM 481 CG LEU A 32 3.624 0.957 7.640 1.00 0.00 C ATOM 482 CD1 LEU A 32 3.961 -0.547 7.503 1.00 0.00 C ATOM 483 CD2 LEU A 32 2.778 1.239 8.910 1.00 0.00 C ATOM 0 H LEU A 32 3.876 3.058 5.738 1.00 0.00 H new ATOM 0 HA LEU A 32 4.231 3.660 8.534 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.494 1.546 6.721 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.536 1.540 8.473 1.00 0.00 H new ATOM 0 HG LEU A 32 3.014 1.245 6.784 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.040 -1.130 7.525 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.477 -0.720 6.559 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.603 -0.853 8.329 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.880 0.622 8.893 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.364 1.002 9.798 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.495 2.291 8.932 1.00 0.00 H new ATOM 495 N GLN A 33 6.788 3.893 6.420 1.00 0.00 N ATOM 496 CA GLN A 33 8.054 4.561 6.130 1.00 0.00 C ATOM 497 C GLN A 33 7.767 5.758 5.217 1.00 0.00 C ATOM 498 O GLN A 33 6.990 5.633 4.259 1.00 0.00 O ATOM 499 CB GLN A 33 9.051 3.570 5.457 1.00 0.00 C ATOM 500 CG GLN A 33 9.341 2.289 6.275 1.00 0.00 C ATOM 501 CD GLN A 33 9.888 2.574 7.676 1.00 0.00 C ATOM 502 OE1 GLN A 33 11.089 2.723 7.866 1.00 0.00 O ATOM 503 NE2 GLN A 33 9.010 2.632 8.673 1.00 0.00 N ATOM 0 H GLN A 33 6.456 3.303 5.657 1.00 0.00 H new ATOM 0 HA GLN A 33 8.516 4.909 7.054 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.654 3.281 4.484 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.992 4.090 5.276 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.423 1.707 6.363 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.058 1.674 5.731 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.016 2.504 8.485 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.331 2.804 9.626 1.00 0.00 H new ATOM 512 N VAL A 34 8.394 6.904 5.518 1.00 0.00 N ATOM 513 CA VAL A 34 8.221 8.165 4.775 1.00 0.00 C ATOM 514 C VAL A 34 9.614 8.783 4.487 1.00 0.00 C ATOM 515 O VAL A 34 10.139 9.565 5.286 1.00 0.00 O ATOM 516 CB VAL A 34 7.254 9.186 5.537 1.00 0.00 C ATOM 517 CG1 VAL A 34 5.761 8.781 5.359 1.00 0.00 C ATOM 518 CG2 VAL A 34 7.616 9.313 7.051 1.00 0.00 C ATOM 0 H VAL A 34 9.047 6.984 6.297 1.00 0.00 H new ATOM 0 HA VAL A 34 7.730 7.949 3.826 1.00 0.00 H new ATOM 0 HB VAL A 34 7.401 10.166 5.083 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.126 9.492 5.887 1.00 0.00 H new ATOM 0 HG12 VAL A 34 5.507 8.785 4.299 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.604 7.782 5.766 1.00 0.00 H new ATOM 0 HG21 VAL A 34 6.935 10.016 7.530 1.00 0.00 H new ATOM 0 HG22 VAL A 34 7.527 8.338 7.529 1.00 0.00 H new ATOM 0 HG23 VAL A 34 8.640 9.674 7.151 1.00 0.00 H new ATOM 528 N PRO A 35 10.279 8.375 3.355 1.00 0.00 N ATOM 529 CA PRO A 35 11.575 8.957 2.929 1.00 0.00 C ATOM 530 C PRO A 35 11.395 10.316 2.215 1.00 0.00 C ATOM 531 O PRO A 35 10.277 10.847 2.137 1.00 0.00 O ATOM 532 CB PRO A 35 12.126 7.878 1.967 1.00 0.00 C ATOM 533 CG PRO A 35 10.902 7.297 1.331 1.00 0.00 C ATOM 534 CD PRO A 35 9.829 7.304 2.409 1.00 0.00 C ATOM 0 HA PRO A 35 12.240 9.178 3.764 1.00 0.00 H new ATOM 0 HB2 PRO A 35 12.795 8.311 1.223 1.00 0.00 H new ATOM 0 HB3 PRO A 35 12.695 7.119 2.503 1.00 0.00 H new ATOM 0 HG2 PRO A 35 10.593 7.887 0.468 1.00 0.00 H new ATOM 0 HG3 PRO A 35 11.090 6.285 0.974 1.00 0.00 H new ATOM 0 HD2 PRO A 35 8.846 7.525 1.993 1.00 0.00 H new ATOM 0 HD3 PRO A 35 9.755 6.337 2.906 1.00 0.00 H new ATOM 542 N ASP A 36 12.501 10.858 1.694 1.00 0.00 N ATOM 543 CA ASP A 36 12.501 12.125 0.923 1.00 0.00 C ATOM 544 C ASP A 36 11.893 11.902 -0.472 1.00 0.00 C ATOM 545 O ASP A 36 11.422 12.852 -1.110 1.00 0.00 O ATOM 546 CB ASP A 36 13.941 12.680 0.804 1.00 0.00 C ATOM 547 CG ASP A 36 14.591 12.941 2.177 1.00 0.00 C ATOM 548 OD1 ASP A 36 15.091 11.976 2.801 1.00 0.00 O ATOM 549 OD2 ASP A 36 14.595 14.097 2.649 1.00 0.00 O ATOM 0 H ASP A 36 13.425 10.438 1.790 1.00 0.00 H new ATOM 0 HA ASP A 36 11.890 12.856 1.453 1.00 0.00 H new ATOM 0 HB2 ASP A 36 14.554 11.973 0.245 1.00 0.00 H new ATOM 0 HB3 ASP A 36 13.923 13.608 0.233 1.00 0.00 H new ATOM 554 N GLY A 37 11.930 10.638 -0.938 1.00 0.00 N ATOM 555 CA GLY A 37 11.324 10.242 -2.210 1.00 0.00 C ATOM 556 C GLY A 37 11.535 8.758 -2.494 1.00 0.00 C ATOM 557 O GLY A 37 12.229 8.073 -1.737 1.00 0.00 O ATOM 0 H GLY A 37 12.381 9.870 -0.440 1.00 0.00 H new ATOM 0 HA2 GLY A 37 10.256 10.461 -2.189 1.00 0.00 H new ATOM 0 HA3 GLY A 37 11.755 10.833 -3.019 1.00 0.00 H new ATOM 561 N GLY A 38 10.925 8.273 -3.585 1.00 0.00 N ATOM 562 CA GLY A 38 11.024 6.873 -4.008 1.00 0.00 C ATOM 563 C GLY A 38 9.708 6.141 -3.811 1.00 0.00 C ATOM 564 O GLY A 38 8.775 6.323 -4.597 1.00 0.00 O ATOM 0 H GLY A 38 10.347 8.845 -4.200 1.00 0.00 H new ATOM 0 HA2 GLY A 38 11.314 6.828 -5.058 1.00 0.00 H new ATOM 0 HA3 GLY A 38 11.809 6.374 -3.439 1.00 0.00 H new ATOM 568 N TRP A 39 9.617 5.344 -2.733 1.00 0.00 N ATOM 569 CA TRP A 39 8.433 4.515 -2.427 1.00 0.00 C ATOM 570 C TRP A 39 8.118 4.593 -0.922 1.00 0.00 C ATOM 571 O TRP A 39 8.958 5.025 -0.128 1.00 0.00 O ATOM 572 CB TRP A 39 8.687 3.042 -2.868 1.00 0.00 C ATOM 573 CG TRP A 39 9.723 2.291 -2.035 1.00 0.00 C ATOM 574 CD1 TRP A 39 11.079 2.491 -2.004 1.00 0.00 C ATOM 575 CD2 TRP A 39 9.466 1.212 -1.121 1.00 0.00 C ATOM 576 NE1 TRP A 39 11.665 1.614 -1.122 1.00 0.00 N ATOM 577 CE2 TRP A 39 10.698 0.817 -0.569 1.00 0.00 C ATOM 578 CE3 TRP A 39 8.308 0.546 -0.722 1.00 0.00 C ATOM 579 CZ2 TRP A 39 10.802 -0.212 0.367 1.00 0.00 C ATOM 580 CZ3 TRP A 39 8.404 -0.471 0.205 1.00 0.00 C ATOM 581 CH2 TRP A 39 9.646 -0.844 0.745 1.00 0.00 C ATOM 0 H TRP A 39 10.365 5.254 -2.045 1.00 0.00 H new ATOM 0 HA TRP A 39 7.572 4.893 -2.979 1.00 0.00 H new ATOM 0 HB2 TRP A 39 7.744 2.497 -2.825 1.00 0.00 H new ATOM 0 HB3 TRP A 39 9.009 3.040 -3.909 1.00 0.00 H new ATOM 0 HD1 TRP A 39 11.609 3.229 -2.587 1.00 0.00 H new ATOM 0 HE1 TRP A 39 12.662 1.565 -0.913 1.00 0.00 H new ATOM 0 HE3 TRP A 39 7.348 0.823 -1.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 11.758 -0.500 0.779 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 7.510 -0.989 0.521 1.00 0.00 H new ATOM 0 HH2 TRP A 39 9.691 -1.643 1.471 1.00 0.00 H new ATOM 592 N TRP A 40 6.908 4.153 -0.539 1.00 0.00 N ATOM 593 CA TRP A 40 6.465 4.101 0.871 1.00 0.00 C ATOM 594 C TRP A 40 6.077 2.668 1.222 1.00 0.00 C ATOM 595 O TRP A 40 5.613 1.919 0.362 1.00 0.00 O ATOM 596 CB TRP A 40 5.256 5.043 1.113 1.00 0.00 C ATOM 597 CG TRP A 40 5.540 6.499 0.814 1.00 0.00 C ATOM 598 CD1 TRP A 40 6.212 7.386 1.605 1.00 0.00 C ATOM 599 CD2 TRP A 40 5.156 7.227 -0.358 1.00 0.00 C ATOM 600 NE1 TRP A 40 6.273 8.609 0.998 1.00 0.00 N ATOM 601 CE2 TRP A 40 5.632 8.544 -0.205 1.00 0.00 C ATOM 602 CE3 TRP A 40 4.460 6.895 -1.522 1.00 0.00 C ATOM 603 CZ2 TRP A 40 5.430 9.523 -1.168 1.00 0.00 C ATOM 604 CZ3 TRP A 40 4.259 7.865 -2.478 1.00 0.00 C ATOM 605 CH2 TRP A 40 4.744 9.170 -2.299 1.00 0.00 C ATOM 0 H TRP A 40 6.204 3.821 -1.199 1.00 0.00 H new ATOM 0 HA TRP A 40 7.286 4.433 1.506 1.00 0.00 H new ATOM 0 HB2 TRP A 40 4.421 4.712 0.495 1.00 0.00 H new ATOM 0 HB3 TRP A 40 4.939 4.951 2.152 1.00 0.00 H new ATOM 0 HD1 TRP A 40 6.635 7.154 2.572 1.00 0.00 H new ATOM 0 HE1 TRP A 40 6.726 9.438 1.383 1.00 0.00 H new ATOM 0 HE3 TRP A 40 4.085 5.893 -1.670 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 5.801 10.528 -1.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 3.719 7.618 -3.380 1.00 0.00 H new ATOM 0 HH2 TRP A 40 4.573 9.909 -3.068 1.00 0.00 H new ATOM 616 N GLU A 41 6.262 2.292 2.482 1.00 0.00 N ATOM 617 CA GLU A 41 5.883 0.968 2.974 1.00 0.00 C ATOM 618 C GLU A 41 4.446 1.038 3.510 1.00 0.00 C ATOM 619 O GLU A 41 4.077 2.019 4.143 1.00 0.00 O ATOM 620 CB GLU A 41 6.866 0.536 4.083 1.00 0.00 C ATOM 621 CG GLU A 41 6.606 -0.867 4.665 1.00 0.00 C ATOM 622 CD GLU A 41 7.579 -1.214 5.801 1.00 0.00 C ATOM 623 OE1 GLU A 41 7.361 -0.755 6.940 1.00 0.00 O ATOM 624 OE2 GLU A 41 8.569 -1.931 5.551 1.00 0.00 O ATOM 0 H GLU A 41 6.678 2.894 3.193 1.00 0.00 H new ATOM 0 HA GLU A 41 5.927 0.232 2.172 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.879 0.566 3.683 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.821 1.264 4.893 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.583 -0.920 5.037 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.696 -1.610 3.872 1.00 0.00 H new ATOM 631 N GLY A 42 3.640 0.009 3.214 1.00 0.00 N ATOM 632 CA GLY A 42 2.262 -0.096 3.698 1.00 0.00 C ATOM 633 C GLY A 42 2.050 -1.367 4.496 1.00 0.00 C ATOM 634 O GLY A 42 2.812 -2.333 4.344 1.00 0.00 O ATOM 0 H GLY A 42 3.929 -0.775 2.630 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.026 0.768 4.319 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.575 -0.077 2.852 1.00 0.00 H new ATOM 638 N GLU A 43 1.013 -1.375 5.341 1.00 0.00 N ATOM 639 CA GLU A 43 0.720 -2.500 6.240 1.00 0.00 C ATOM 640 C GLU A 43 -0.551 -3.220 5.782 1.00 0.00 C ATOM 641 O GLU A 43 -1.616 -2.605 5.702 1.00 0.00 O ATOM 642 CB GLU A 43 0.555 -1.982 7.694 1.00 0.00 C ATOM 643 CG GLU A 43 0.616 -3.076 8.778 1.00 0.00 C ATOM 644 CD GLU A 43 0.527 -2.519 10.205 1.00 0.00 C ATOM 645 OE1 GLU A 43 1.471 -1.823 10.645 1.00 0.00 O ATOM 646 OE2 GLU A 43 -0.492 -2.753 10.888 1.00 0.00 O ATOM 0 H GLU A 43 0.352 -0.602 5.422 1.00 0.00 H new ATOM 0 HA GLU A 43 1.549 -3.207 6.211 1.00 0.00 H new ATOM 0 HB2 GLU A 43 1.335 -1.247 7.894 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.400 -1.463 7.774 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.199 -3.782 8.619 1.00 0.00 H new ATOM 0 HG3 GLU A 43 1.546 -3.634 8.670 1.00 0.00 H new ATOM 653 N LYS A 44 -0.420 -4.512 5.447 1.00 0.00 N ATOM 654 CA LYS A 44 -1.563 -5.396 5.159 1.00 0.00 C ATOM 655 C LYS A 44 -2.203 -5.851 6.489 1.00 0.00 C ATOM 656 O LYS A 44 -1.518 -5.910 7.511 1.00 0.00 O ATOM 657 CB LYS A 44 -1.099 -6.628 4.324 1.00 0.00 C ATOM 658 CG LYS A 44 -2.250 -7.428 3.686 1.00 0.00 C ATOM 659 CD LYS A 44 -1.785 -8.651 2.867 1.00 0.00 C ATOM 660 CE LYS A 44 -2.941 -9.291 2.072 1.00 0.00 C ATOM 661 NZ LYS A 44 -4.072 -9.685 2.954 1.00 0.00 N ATOM 0 H LYS A 44 0.485 -4.977 5.367 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.304 -4.851 4.574 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.428 -6.287 3.536 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.523 -7.293 4.967 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.924 -7.766 4.473 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.823 -6.766 3.037 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.997 -8.347 2.178 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.353 -9.393 3.538 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.296 -8.588 1.319 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.573 -10.168 1.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -4.538 -10.529 2.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -3.712 -9.897 3.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -4.757 -8.905 3.009 1.00 0.00 H new ATOM 675 N GLU A 45 -3.499 -6.211 6.457 1.00 0.00 N ATOM 676 CA GLU A 45 -4.306 -6.530 7.665 1.00 0.00 C ATOM 677 C GLU A 45 -3.846 -7.819 8.399 1.00 0.00 C ATOM 678 O GLU A 45 -4.352 -8.125 9.483 1.00 0.00 O ATOM 679 CB GLU A 45 -5.805 -6.629 7.278 1.00 0.00 C ATOM 680 CG GLU A 45 -6.393 -5.315 6.722 1.00 0.00 C ATOM 681 CD GLU A 45 -7.856 -5.458 6.289 1.00 0.00 C ATOM 682 OE1 GLU A 45 -8.747 -5.442 7.165 1.00 0.00 O ATOM 683 OE2 GLU A 45 -8.121 -5.619 5.076 1.00 0.00 O ATOM 0 H GLU A 45 -4.027 -6.291 5.588 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.153 -5.715 8.372 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.927 -7.415 6.532 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.378 -6.930 8.155 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.318 -4.538 7.482 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.797 -4.987 5.871 1.00 0.00 H new ATOM 690 N ASP A 46 -2.895 -8.564 7.798 1.00 0.00 N ATOM 691 CA ASP A 46 -2.231 -9.727 8.446 1.00 0.00 C ATOM 692 C ASP A 46 -1.143 -9.265 9.450 1.00 0.00 C ATOM 693 O ASP A 46 -0.587 -10.085 10.194 1.00 0.00 O ATOM 694 CB ASP A 46 -1.574 -10.645 7.376 1.00 0.00 C ATOM 695 CG ASP A 46 -2.578 -11.228 6.368 1.00 0.00 C ATOM 696 OD1 ASP A 46 -2.944 -10.520 5.407 1.00 0.00 O ATOM 697 OD2 ASP A 46 -3.014 -12.389 6.520 1.00 0.00 O ATOM 0 H ASP A 46 -2.562 -8.381 6.851 1.00 0.00 H new ATOM 0 HA ASP A 46 -2.999 -10.282 8.985 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -0.818 -10.076 6.836 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.059 -11.464 7.878 1.00 0.00 H new ATOM 702 N GLY A 47 -0.849 -7.950 9.447 1.00 0.00 N ATOM 703 CA GLY A 47 0.277 -7.374 10.193 1.00 0.00 C ATOM 704 C GLY A 47 1.573 -7.359 9.375 1.00 0.00 C ATOM 705 O GLY A 47 2.584 -6.799 9.814 1.00 0.00 O ATOM 0 H GLY A 47 -1.389 -7.260 8.925 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.028 -6.356 10.493 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.434 -7.946 11.107 1.00 0.00 H new ATOM 709 N LEU A 48 1.523 -7.964 8.166 1.00 0.00 N ATOM 710 CA LEU A 48 2.673 -8.070 7.254 1.00 0.00 C ATOM 711 C LEU A 48 2.893 -6.745 6.505 1.00 0.00 C ATOM 712 O LEU A 48 1.933 -6.077 6.107 1.00 0.00 O ATOM 713 CB LEU A 48 2.461 -9.232 6.244 1.00 0.00 C ATOM 714 CG LEU A 48 2.429 -10.673 6.848 1.00 0.00 C ATOM 715 CD1 LEU A 48 2.163 -11.736 5.752 1.00 0.00 C ATOM 716 CD2 LEU A 48 3.731 -10.980 7.627 1.00 0.00 C ATOM 0 H LEU A 48 0.674 -8.394 7.798 1.00 0.00 H new ATOM 0 HA LEU A 48 3.562 -8.283 7.847 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.523 -9.061 5.716 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.257 -9.190 5.501 1.00 0.00 H new ATOM 0 HG LEU A 48 1.602 -10.718 7.556 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.147 -12.728 6.204 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.202 -11.537 5.278 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.953 -11.692 5.003 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.681 -11.989 8.036 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.585 -10.904 6.953 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.846 -10.264 8.441 1.00 0.00 H new ATOM 728 N ARG A 49 4.168 -6.388 6.340 1.00 0.00 N ATOM 729 CA ARG A 49 4.611 -5.194 5.608 1.00 0.00 C ATOM 730 C ARG A 49 5.218 -5.649 4.275 1.00 0.00 C ATOM 731 O ARG A 49 5.771 -6.754 4.197 1.00 0.00 O ATOM 732 CB ARG A 49 5.656 -4.416 6.455 1.00 0.00 C ATOM 733 CG ARG A 49 5.279 -4.273 7.950 1.00 0.00 C ATOM 734 CD ARG A 49 6.329 -3.495 8.769 1.00 0.00 C ATOM 735 NE ARG A 49 6.122 -3.645 10.222 1.00 0.00 N ATOM 736 CZ ARG A 49 5.154 -3.060 10.943 1.00 0.00 C ATOM 737 NH1 ARG A 49 4.297 -2.215 10.383 1.00 0.00 N ATOM 738 NH2 ARG A 49 5.053 -3.329 12.236 1.00 0.00 N ATOM 0 H ARG A 49 4.942 -6.933 6.720 1.00 0.00 H new ATOM 0 HA ARG A 49 3.771 -4.527 5.417 1.00 0.00 H new ATOM 0 HB2 ARG A 49 6.618 -4.923 6.381 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.786 -3.422 6.028 1.00 0.00 H new ATOM 0 HG2 ARG A 49 4.317 -3.766 8.029 1.00 0.00 H new ATOM 0 HG3 ARG A 49 5.152 -5.265 8.383 1.00 0.00 H new ATOM 0 HD2 ARG A 49 7.327 -3.848 8.507 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.285 -2.439 8.504 1.00 0.00 H new ATOM 0 HE ARG A 49 6.774 -4.248 10.724 1.00 0.00 H new ATOM 0 HH11 ARG A 49 4.368 -2.001 9.388 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.567 -1.780 10.947 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.708 -3.976 12.675 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.320 -2.889 12.793 1.00 0.00 H new ATOM 752 N GLY A 50 5.116 -4.808 3.238 1.00 0.00 N ATOM 753 CA GLY A 50 5.591 -5.184 1.904 1.00 0.00 C ATOM 754 C GLY A 50 5.928 -4.005 1.024 1.00 0.00 C ATOM 755 O GLY A 50 5.897 -2.845 1.469 1.00 0.00 O ATOM 0 H GLY A 50 4.713 -3.873 3.297 1.00 0.00 H new ATOM 0 HA2 GLY A 50 6.475 -5.813 2.007 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.827 -5.786 1.412 1.00 0.00 H new ATOM 759 N TRP A 51 6.293 -4.315 -0.234 1.00 0.00 N ATOM 760 CA TRP A 51 6.613 -3.310 -1.246 1.00 0.00 C ATOM 761 C TRP A 51 5.337 -2.617 -1.733 1.00 0.00 C ATOM 762 O TRP A 51 4.391 -3.282 -2.166 1.00 0.00 O ATOM 763 CB TRP A 51 7.367 -3.972 -2.433 1.00 0.00 C ATOM 764 CG TRP A 51 8.857 -4.047 -2.227 1.00 0.00 C ATOM 765 CD1 TRP A 51 9.572 -5.012 -1.572 1.00 0.00 C ATOM 766 CD2 TRP A 51 9.809 -3.081 -2.678 1.00 0.00 C ATOM 767 NE1 TRP A 51 10.909 -4.701 -1.598 1.00 0.00 N ATOM 768 CE2 TRP A 51 11.076 -3.517 -2.268 1.00 0.00 C ATOM 769 CE3 TRP A 51 9.696 -1.888 -3.392 1.00 0.00 C ATOM 770 CZ2 TRP A 51 12.233 -2.802 -2.553 1.00 0.00 C ATOM 771 CZ3 TRP A 51 10.842 -1.177 -3.677 1.00 0.00 C ATOM 772 CH2 TRP A 51 12.098 -1.635 -3.253 1.00 0.00 C ATOM 0 H TRP A 51 6.372 -5.274 -0.571 1.00 0.00 H new ATOM 0 HA TRP A 51 7.261 -2.555 -0.801 1.00 0.00 H new ATOM 0 HB2 TRP A 51 6.977 -4.979 -2.585 1.00 0.00 H new ATOM 0 HB3 TRP A 51 7.161 -3.409 -3.344 1.00 0.00 H new ATOM 0 HD1 TRP A 51 9.148 -5.888 -1.104 1.00 0.00 H new ATOM 0 HE1 TRP A 51 11.656 -5.260 -1.186 1.00 0.00 H new ATOM 0 HE3 TRP A 51 8.730 -1.529 -3.715 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 13.203 -3.155 -2.234 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 10.772 -0.255 -4.234 1.00 0.00 H new ATOM 0 HH2 TRP A 51 12.978 -1.053 -3.484 1.00 0.00 H new ATOM 783 N PHE A 52 5.342 -1.268 -1.670 1.00 0.00 N ATOM 784 CA PHE A 52 4.257 -0.425 -2.188 1.00 0.00 C ATOM 785 C PHE A 52 4.841 0.818 -2.898 1.00 0.00 C ATOM 786 O PHE A 52 5.035 1.871 -2.278 1.00 0.00 O ATOM 787 CB PHE A 52 3.249 -0.041 -1.060 1.00 0.00 C ATOM 788 CG PHE A 52 2.430 -1.235 -0.569 1.00 0.00 C ATOM 789 CD1 PHE A 52 1.401 -1.751 -1.353 1.00 0.00 C ATOM 790 CD2 PHE A 52 2.714 -1.862 0.640 1.00 0.00 C ATOM 791 CE1 PHE A 52 0.676 -2.848 -0.936 1.00 0.00 C ATOM 792 CE2 PHE A 52 1.990 -2.961 1.055 1.00 0.00 C ATOM 793 CZ PHE A 52 0.970 -3.453 0.270 1.00 0.00 C ATOM 0 H PHE A 52 6.106 -0.736 -1.255 1.00 0.00 H new ATOM 0 HA PHE A 52 3.693 -0.995 -2.926 1.00 0.00 H new ATOM 0 HB2 PHE A 52 3.796 0.389 -0.221 1.00 0.00 H new ATOM 0 HB3 PHE A 52 2.573 0.731 -1.429 1.00 0.00 H new ATOM 0 HD1 PHE A 52 1.168 -1.286 -2.300 1.00 0.00 H new ATOM 0 HD2 PHE A 52 3.512 -1.484 1.262 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -0.122 -3.234 -1.553 1.00 0.00 H new ATOM 0 HE2 PHE A 52 2.223 -3.436 1.996 1.00 0.00 H new ATOM 0 HZ PHE A 52 0.401 -4.311 0.598 1.00 0.00 H new ATOM 803 N PRO A 53 5.197 0.672 -4.221 1.00 0.00 N ATOM 804 CA PRO A 53 5.579 1.808 -5.081 1.00 0.00 C ATOM 805 C PRO A 53 4.424 2.820 -5.251 1.00 0.00 C ATOM 806 O PRO A 53 3.242 2.446 -5.211 1.00 0.00 O ATOM 807 CB PRO A 53 5.950 1.140 -6.444 1.00 0.00 C ATOM 808 CG PRO A 53 6.192 -0.305 -6.111 1.00 0.00 C ATOM 809 CD PRO A 53 5.267 -0.616 -4.965 1.00 0.00 C ATOM 0 HA PRO A 53 6.399 2.386 -4.655 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.144 1.249 -7.170 1.00 0.00 H new ATOM 0 HB3 PRO A 53 6.837 1.599 -6.881 1.00 0.00 H new ATOM 0 HG2 PRO A 53 5.983 -0.945 -6.968 1.00 0.00 H new ATOM 0 HG3 PRO A 53 7.232 -0.474 -5.832 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.284 -0.932 -5.316 1.00 0.00 H new ATOM 0 HD3 PRO A 53 5.656 -1.420 -4.341 1.00 0.00 H new ATOM 817 N ALA A 54 4.796 4.094 -5.471 1.00 0.00 N ATOM 818 CA ALA A 54 3.860 5.175 -5.833 1.00 0.00 C ATOM 819 C ALA A 54 3.209 4.900 -7.212 1.00 0.00 C ATOM 820 O ALA A 54 2.215 5.525 -7.568 1.00 0.00 O ATOM 821 CB ALA A 54 4.595 6.529 -5.826 1.00 0.00 C ATOM 0 H ALA A 54 5.765 4.406 -5.402 1.00 0.00 H new ATOM 0 HA ALA A 54 3.060 5.211 -5.093 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.898 7.323 -6.094 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.997 6.720 -4.831 1.00 0.00 H new ATOM 0 HB3 ALA A 54 5.411 6.504 -6.548 1.00 0.00 H new ATOM 827 N SER A 55 3.814 3.962 -7.975 1.00 0.00 N ATOM 828 CA SER A 55 3.284 3.465 -9.253 1.00 0.00 C ATOM 829 C SER A 55 1.990 2.654 -9.040 1.00 0.00 C ATOM 830 O SER A 55 1.052 2.737 -9.834 1.00 0.00 O ATOM 831 CB SER A 55 4.347 2.570 -9.930 1.00 0.00 C ATOM 832 OG SER A 55 5.602 3.227 -9.980 1.00 0.00 O ATOM 0 H SER A 55 4.698 3.526 -7.711 1.00 0.00 H new ATOM 0 HA SER A 55 3.051 4.320 -9.888 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.444 1.634 -9.380 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.025 2.315 -10.940 1.00 0.00 H new ATOM 0 HG SER A 55 6.260 2.642 -10.411 1.00 0.00 H new ATOM 838 N TYR A 56 1.961 1.872 -7.944 1.00 0.00 N ATOM 839 CA TYR A 56 0.870 0.919 -7.624 1.00 0.00 C ATOM 840 C TYR A 56 -0.339 1.615 -6.984 1.00 0.00 C ATOM 841 O TYR A 56 -1.416 1.016 -6.856 1.00 0.00 O ATOM 842 CB TYR A 56 1.407 -0.186 -6.655 1.00 0.00 C ATOM 843 CG TYR A 56 2.313 -1.252 -7.298 1.00 0.00 C ATOM 844 CD1 TYR A 56 2.995 -1.024 -8.499 1.00 0.00 C ATOM 845 CD2 TYR A 56 2.485 -2.501 -6.690 1.00 0.00 C ATOM 846 CE1 TYR A 56 3.805 -1.993 -9.060 1.00 0.00 C ATOM 847 CE2 TYR A 56 3.294 -3.468 -7.252 1.00 0.00 C ATOM 848 CZ TYR A 56 3.949 -3.208 -8.437 1.00 0.00 C ATOM 849 OH TYR A 56 4.754 -4.173 -9.007 1.00 0.00 O ATOM 0 H TYR A 56 2.703 1.881 -7.244 1.00 0.00 H new ATOM 0 HA TYR A 56 0.538 0.474 -8.562 1.00 0.00 H new ATOM 0 HB2 TYR A 56 1.961 0.299 -5.851 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.555 -0.688 -6.197 1.00 0.00 H new ATOM 0 HD1 TYR A 56 2.886 -0.072 -8.997 1.00 0.00 H new ATOM 0 HD2 TYR A 56 1.974 -2.712 -5.762 1.00 0.00 H new ATOM 0 HE1 TYR A 56 4.324 -1.795 -9.986 1.00 0.00 H new ATOM 0 HE2 TYR A 56 3.413 -4.425 -6.765 1.00 0.00 H new ATOM 0 HH TYR A 56 4.452 -5.061 -8.722 1.00 0.00 H new ATOM 859 N VAL A 57 -0.149 2.876 -6.563 1.00 0.00 N ATOM 860 CA VAL A 57 -1.138 3.625 -5.777 1.00 0.00 C ATOM 861 C VAL A 57 -1.344 5.036 -6.348 1.00 0.00 C ATOM 862 O VAL A 57 -0.417 5.643 -6.885 1.00 0.00 O ATOM 863 CB VAL A 57 -0.696 3.720 -4.264 1.00 0.00 C ATOM 864 CG1 VAL A 57 -0.629 2.321 -3.610 1.00 0.00 C ATOM 865 CG2 VAL A 57 0.662 4.464 -4.111 1.00 0.00 C ATOM 0 H VAL A 57 0.700 3.406 -6.760 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.083 3.084 -5.836 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.456 4.302 -3.742 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.322 2.420 -2.569 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -1.611 1.851 -3.655 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.094 1.704 -4.144 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.935 4.510 -3.057 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.435 3.928 -4.662 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.569 5.475 -4.507 1.00 0.00 H new ATOM 875 N GLN A 58 -2.582 5.532 -6.242 1.00 0.00 N ATOM 876 CA GLN A 58 -2.922 6.931 -6.523 1.00 0.00 C ATOM 877 C GLN A 58 -2.896 7.682 -5.174 1.00 0.00 C ATOM 878 O GLN A 58 -3.530 7.239 -4.203 1.00 0.00 O ATOM 879 CB GLN A 58 -4.326 7.031 -7.214 1.00 0.00 C ATOM 880 CG GLN A 58 -4.545 8.256 -8.144 1.00 0.00 C ATOM 881 CD GLN A 58 -4.361 9.612 -7.465 1.00 0.00 C ATOM 882 OE1 GLN A 58 -3.276 10.183 -7.477 1.00 0.00 O ATOM 883 NE2 GLN A 58 -5.401 10.118 -6.826 1.00 0.00 N ATOM 0 H GLN A 58 -3.383 4.969 -5.956 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.207 7.377 -7.214 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -4.486 6.124 -7.797 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -5.090 7.049 -6.437 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.852 8.187 -8.982 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -5.552 8.206 -8.558 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -6.293 9.623 -6.831 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -5.312 11.003 -6.327 1.00 0.00 H new ATOM 892 N LEU A 59 -2.144 8.791 -5.127 1.00 0.00 N ATOM 893 CA LEU A 59 -1.965 9.611 -3.919 1.00 0.00 C ATOM 894 C LEU A 59 -3.282 10.331 -3.561 1.00 0.00 C ATOM 895 O LEU A 59 -3.845 11.046 -4.399 1.00 0.00 O ATOM 896 CB LEU A 59 -0.831 10.654 -4.148 1.00 0.00 C ATOM 897 CG LEU A 59 0.528 10.079 -4.671 1.00 0.00 C ATOM 898 CD1 LEU A 59 1.565 11.202 -4.912 1.00 0.00 C ATOM 899 CD2 LEU A 59 1.080 8.981 -3.726 1.00 0.00 C ATOM 0 H LEU A 59 -1.637 9.149 -5.936 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.687 8.960 -3.090 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.187 11.399 -4.860 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.646 11.174 -3.208 1.00 0.00 H new ATOM 0 HG LEU A 59 0.335 9.608 -5.635 1.00 0.00 H new ATOM 0 HD11 LEU A 59 2.496 10.766 -5.274 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.179 11.901 -5.654 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.752 11.731 -3.978 1.00 0.00 H new ATOM 0 HD21 LEU A 59 2.024 8.604 -4.119 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.242 9.403 -2.734 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.362 8.164 -3.660 1.00 0.00 H new ATOM 911 N LEU A 60 -3.778 10.119 -2.327 1.00 0.00 N ATOM 912 CA LEU A 60 -5.015 10.762 -1.843 1.00 0.00 C ATOM 913 C LEU A 60 -4.699 12.170 -1.303 1.00 0.00 C ATOM 914 O LEU A 60 -5.189 13.167 -1.872 1.00 0.00 O ATOM 915 CB LEU A 60 -5.707 9.899 -0.752 1.00 0.00 C ATOM 916 CG LEU A 60 -6.239 8.509 -1.221 1.00 0.00 C ATOM 917 CD1 LEU A 60 -6.967 7.775 -0.077 1.00 0.00 C ATOM 918 CD2 LEU A 60 -7.153 8.646 -2.460 1.00 0.00 C ATOM 919 OXT LEU A 60 -3.925 12.273 -0.333 1.00 0.00 O ATOM 0 H LEU A 60 -3.338 9.503 -1.643 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.706 10.851 -2.681 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.999 9.740 0.062 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.542 10.467 -0.342 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.376 7.908 -1.509 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.326 6.810 -0.434 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.278 7.621 0.753 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.813 8.375 0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.507 7.660 -2.762 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.006 9.279 -2.215 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.591 9.096 -3.279 1.00 0.00 H new