USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 526 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 THR OG1 : rot -32:sc= 0.0238 USER MOD Single : A 10 SER OG : rot -83:sc= -1.7 USER MOD Single : A 12 SER OG : rot 180:sc= -0.136 USER MOD Single : A 15 LYS NZ :NH3+ 166:sc= -0.0435 (180deg=-0.205) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 156:sc= 0.529 USER MOD Single : A 26 HIS : no HD1:sc= -0.621 X(o=-0.62,f=-1) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0.08 USER MOD Single : A 33 TYR OH : rot 30:sc= -2.7! USER MOD Single : A 36 MET CE :methyl -141:sc= -1.8 (180deg=-6.87!) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.134 X(o=-0.13,f=0) USER MOD Single : A 48 GLN : amide:sc= -5.92! C(o=-5.9!,f=-10!) USER MOD Single : A 54 LYS NZ :NH3+ -114:sc= -0.221 (180deg=-1.36) USER MOD Single : A 55 TYR OH : rot 8:sc= -4.66! USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 CYS SG : rot 150:sc= -0.944 USER MOD ----------------------------------------------------------------- ATOM 75 N THR A 6 3.890 -1.423 -8.709 1.00 0.00 N ATOM 76 CA THR A 6 4.630 -1.529 -7.456 1.00 0.00 C ATOM 77 C THR A 6 4.420 -0.295 -6.581 1.00 0.00 C ATOM 78 O THR A 6 5.352 0.181 -5.933 1.00 0.00 O ATOM 79 CB THR A 6 6.120 -1.714 -7.739 1.00 0.00 C ATOM 80 OG1 THR A 6 6.655 -0.569 -8.379 1.00 0.00 O ATOM 81 CG2 THR A 6 6.417 -2.910 -8.613 1.00 0.00 C ATOM 0 HA THR A 6 4.252 -2.398 -6.917 1.00 0.00 H new ATOM 0 HB THR A 6 6.582 -1.873 -6.765 1.00 0.00 H new ATOM 0 HG1 THR A 6 5.969 -0.162 -8.948 1.00 0.00 H new ATOM 0 HG21 THR A 6 7.492 -2.984 -8.775 1.00 0.00 H new ATOM 0 HG22 THR A 6 6.061 -3.816 -8.123 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.912 -2.794 -9.572 1.00 0.00 H new ATOM 89 N VAL A 7 3.195 0.219 -6.563 1.00 0.00 N ATOM 90 CA VAL A 7 2.877 1.397 -5.764 1.00 0.00 C ATOM 91 C VAL A 7 1.439 1.346 -5.262 1.00 0.00 C ATOM 92 O VAL A 7 0.688 0.426 -5.588 1.00 0.00 O ATOM 93 CB VAL A 7 3.083 2.707 -6.557 1.00 0.00 C ATOM 94 CG1 VAL A 7 3.606 3.803 -5.642 1.00 0.00 C ATOM 95 CG2 VAL A 7 4.026 2.496 -7.735 1.00 0.00 C ATOM 0 H VAL A 7 2.408 -0.160 -7.090 1.00 0.00 H new ATOM 0 HA VAL A 7 3.563 1.389 -4.917 1.00 0.00 H new ATOM 0 HB VAL A 7 2.117 3.016 -6.955 1.00 0.00 H new ATOM 0 HG11 VAL A 7 3.746 4.719 -6.215 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.888 3.982 -4.841 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.559 3.494 -5.213 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.151 3.435 -8.274 1.00 0.00 H new ATOM 0 HG22 VAL A 7 4.995 2.156 -7.369 1.00 0.00 H new ATOM 0 HG23 VAL A 7 3.608 1.746 -8.406 1.00 0.00 H new ATOM 105 N LEU A 8 1.060 2.343 -4.469 1.00 0.00 N ATOM 106 CA LEU A 8 -0.289 2.417 -3.922 1.00 0.00 C ATOM 107 C LEU A 8 -0.715 3.869 -3.735 1.00 0.00 C ATOM 108 O LEU A 8 0.089 4.718 -3.350 1.00 0.00 O ATOM 109 CB LEU A 8 -0.364 1.670 -2.588 1.00 0.00 C ATOM 110 CG LEU A 8 -1.583 0.761 -2.422 1.00 0.00 C ATOM 111 CD1 LEU A 8 -2.866 1.534 -2.686 1.00 0.00 C ATOM 112 CD2 LEU A 8 -1.480 -0.440 -3.350 1.00 0.00 C ATOM 0 H LEU A 8 1.670 3.112 -4.191 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.971 1.945 -4.629 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.537 1.068 -2.475 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.362 2.401 -1.779 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.607 0.400 -1.394 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.722 0.871 -2.563 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.944 2.362 -1.981 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.853 1.925 -3.704 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.355 -1.077 -3.220 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.431 -0.098 -4.384 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.580 -1.007 -3.113 1.00 0.00 H new ATOM 124 N ARG A 9 -1.984 4.150 -4.014 1.00 0.00 N ATOM 125 CA ARG A 9 -2.514 5.502 -3.879 1.00 0.00 C ATOM 126 C ARG A 9 -3.997 5.473 -3.526 1.00 0.00 C ATOM 127 O ARG A 9 -4.736 4.598 -3.977 1.00 0.00 O ATOM 128 CB ARG A 9 -2.304 6.287 -5.176 1.00 0.00 C ATOM 129 CG ARG A 9 -0.934 6.079 -5.802 1.00 0.00 C ATOM 130 CD ARG A 9 -0.653 7.111 -6.882 1.00 0.00 C ATOM 131 NE ARG A 9 0.429 6.693 -7.770 1.00 0.00 N ATOM 132 CZ ARG A 9 1.107 7.528 -8.554 1.00 0.00 C ATOM 133 NH1 ARG A 9 0.818 8.823 -8.565 1.00 0.00 N ATOM 134 NH2 ARG A 9 2.078 7.066 -9.331 1.00 0.00 N ATOM 0 H ARG A 9 -2.664 3.460 -4.335 1.00 0.00 H new ATOM 0 HA ARG A 9 -1.975 5.996 -3.071 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -3.070 5.996 -5.895 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.444 7.349 -4.974 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -0.167 6.140 -5.030 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.876 5.078 -6.230 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -1.557 7.279 -7.467 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.393 8.062 -6.416 1.00 0.00 H new ATOM 0 HE ARG A 9 0.679 5.704 -7.790 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.072 9.184 -7.970 1.00 0.00 H new ATOM 0 HH12 ARG A 9 1.342 9.457 -9.168 1.00 0.00 H new ATOM 0 HH21 ARG A 9 2.305 6.071 -9.327 1.00 0.00 H new ATOM 0 HH22 ARG A 9 2.598 7.705 -9.932 1.00 0.00 H new ATOM 148 N SER A 10 -4.424 6.436 -2.716 1.00 0.00 N ATOM 149 CA SER A 10 -5.819 6.522 -2.301 1.00 0.00 C ATOM 150 C SER A 10 -6.716 6.898 -3.479 1.00 0.00 C ATOM 151 O SER A 10 -6.325 7.689 -4.338 1.00 0.00 O ATOM 152 CB SER A 10 -5.976 7.548 -1.178 1.00 0.00 C ATOM 153 OG SER A 10 -5.901 6.928 0.094 1.00 0.00 O ATOM 0 H SER A 10 -3.824 7.167 -2.334 1.00 0.00 H new ATOM 0 HA SER A 10 -6.124 5.542 -1.934 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.198 8.306 -1.263 1.00 0.00 H new ATOM 0 HB3 SER A 10 -6.933 8.060 -1.280 1.00 0.00 H new ATOM 0 HG SER A 10 -6.778 6.561 0.331 1.00 0.00 H new ATOM 159 N PRO A 11 -7.936 6.336 -3.535 1.00 0.00 N ATOM 160 CA PRO A 11 -8.886 6.620 -4.615 1.00 0.00 C ATOM 161 C PRO A 11 -9.468 8.027 -4.520 1.00 0.00 C ATOM 162 O PRO A 11 -9.895 8.601 -5.521 1.00 0.00 O ATOM 163 CB PRO A 11 -9.981 5.574 -4.407 1.00 0.00 C ATOM 164 CG PRO A 11 -9.930 5.258 -2.953 1.00 0.00 C ATOM 165 CD PRO A 11 -8.485 5.383 -2.552 1.00 0.00 C ATOM 0 HA PRO A 11 -8.414 6.574 -5.596 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.959 5.961 -4.694 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -9.800 4.686 -5.012 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -10.554 5.945 -2.382 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -10.303 4.252 -2.759 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -8.382 5.754 -1.532 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -7.972 4.422 -2.595 1.00 0.00 H new ATOM 173 N SER A 12 -9.482 8.577 -3.309 1.00 0.00 N ATOM 174 CA SER A 12 -10.012 9.917 -3.085 1.00 0.00 C ATOM 175 C SER A 12 -9.362 10.563 -1.866 1.00 0.00 C ATOM 176 O SER A 12 -8.592 9.924 -1.149 1.00 0.00 O ATOM 177 CB SER A 12 -11.529 9.863 -2.899 1.00 0.00 C ATOM 178 OG SER A 12 -12.154 9.202 -3.986 1.00 0.00 O ATOM 0 H SER A 12 -9.133 8.115 -2.469 1.00 0.00 H new ATOM 0 HA SER A 12 -9.781 10.523 -3.961 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.766 9.345 -1.970 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.924 10.875 -2.810 1.00 0.00 H new ATOM 0 HG SER A 12 -13.123 9.180 -3.842 1.00 0.00 H new ATOM 184 N ALA A 13 -9.677 11.834 -1.637 1.00 0.00 N ATOM 185 CA ALA A 13 -9.125 12.566 -0.505 1.00 0.00 C ATOM 186 C ALA A 13 -9.804 12.156 0.797 1.00 0.00 C ATOM 187 O ALA A 13 -11.024 12.250 0.929 1.00 0.00 O ATOM 188 CB ALA A 13 -9.265 14.064 -0.727 1.00 0.00 C ATOM 0 H ALA A 13 -10.312 12.378 -2.221 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.066 12.319 -0.425 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -8.848 14.599 0.127 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.728 14.350 -1.631 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.319 14.319 -0.835 1.00 0.00 H new ATOM 194 N GLY A 14 -9.006 11.701 1.758 1.00 0.00 N ATOM 195 CA GLY A 14 -9.549 11.283 3.037 1.00 0.00 C ATOM 196 C GLY A 14 -8.582 11.510 4.182 1.00 0.00 C ATOM 197 O GLY A 14 -8.015 12.594 4.319 1.00 0.00 O ATOM 0 H GLY A 14 -7.993 11.614 1.674 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.472 11.829 3.232 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -9.808 10.225 2.989 1.00 0.00 H new ATOM 201 N LYS A 15 -8.393 10.485 5.006 1.00 0.00 N ATOM 202 CA LYS A 15 -7.488 10.577 6.146 1.00 0.00 C ATOM 203 C LYS A 15 -7.115 9.189 6.658 1.00 0.00 C ATOM 204 O LYS A 15 -7.953 8.289 6.704 1.00 0.00 O ATOM 205 CB LYS A 15 -8.131 11.392 7.269 1.00 0.00 C ATOM 206 CG LYS A 15 -7.231 11.576 8.480 1.00 0.00 C ATOM 207 CD LYS A 15 -7.555 10.571 9.574 1.00 0.00 C ATOM 208 CE LYS A 15 -7.486 11.206 10.953 1.00 0.00 C ATOM 209 NZ LYS A 15 -6.103 11.186 11.505 1.00 0.00 N ATOM 0 H LYS A 15 -8.854 9.581 4.906 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.578 11.079 5.817 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.410 12.372 6.882 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -9.052 10.900 7.582 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.189 11.465 8.180 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.345 12.588 8.869 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.552 10.162 9.410 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.856 9.736 9.521 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.840 12.236 10.897 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.155 10.676 11.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.046 11.826 12.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.863 10.219 11.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.433 11.499 10.774 1.00 0.00 H new ATOM 223 N LEU A 16 -5.853 9.024 7.042 1.00 0.00 N ATOM 224 CA LEU A 16 -5.369 7.745 7.550 1.00 0.00 C ATOM 225 C LEU A 16 -5.998 7.426 8.904 1.00 0.00 C ATOM 226 O LEU A 16 -5.579 7.954 9.933 1.00 0.00 O ATOM 227 CB LEU A 16 -3.845 7.769 7.679 1.00 0.00 C ATOM 228 CG LEU A 16 -3.174 6.395 7.727 1.00 0.00 C ATOM 229 CD1 LEU A 16 -3.629 5.535 6.558 1.00 0.00 C ATOM 230 CD2 LEU A 16 -1.659 6.542 7.724 1.00 0.00 C ATOM 0 H LEU A 16 -5.147 9.760 7.011 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.656 6.968 6.842 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.434 8.327 6.838 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.581 8.316 8.584 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.471 5.900 8.652 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.140 4.562 6.610 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.710 5.401 6.604 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.363 6.025 5.621 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.198 5.555 7.758 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.345 7.058 6.816 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.348 7.119 8.595 1.00 0.00 H new ATOM 242 N THR A 17 -7.007 6.561 8.894 1.00 0.00 N ATOM 243 CA THR A 17 -7.694 6.175 10.122 1.00 0.00 C ATOM 244 C THR A 17 -6.853 5.199 10.941 1.00 0.00 C ATOM 245 O THR A 17 -6.733 5.340 12.158 1.00 0.00 O ATOM 246 CB THR A 17 -9.054 5.552 9.799 1.00 0.00 C ATOM 247 OG1 THR A 17 -9.804 5.344 10.982 1.00 0.00 O ATOM 248 CG2 THR A 17 -8.952 4.223 9.082 1.00 0.00 C ATOM 0 H THR A 17 -7.367 6.114 8.051 1.00 0.00 H new ATOM 0 HA THR A 17 -7.847 7.076 10.717 1.00 0.00 H new ATOM 0 HB THR A 17 -9.546 6.265 9.138 1.00 0.00 H new ATOM 0 HG1 THR A 17 -10.670 4.947 10.754 1.00 0.00 H new ATOM 0 HG21 THR A 17 -9.953 3.839 8.884 1.00 0.00 H new ATOM 0 HG22 THR A 17 -8.422 4.358 8.139 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.408 3.514 9.706 1.00 0.00 H new ATOM 256 N GLN A 18 -6.276 4.207 10.269 1.00 0.00 N ATOM 257 CA GLN A 18 -5.452 3.208 10.942 1.00 0.00 C ATOM 258 C GLN A 18 -4.656 2.384 9.930 1.00 0.00 C ATOM 259 O GLN A 18 -4.466 2.803 8.789 1.00 0.00 O ATOM 260 CB GLN A 18 -6.331 2.293 11.798 1.00 0.00 C ATOM 261 CG GLN A 18 -5.724 1.955 13.150 1.00 0.00 C ATOM 262 CD GLN A 18 -6.286 0.676 13.738 1.00 0.00 C ATOM 263 OE1 GLN A 18 -5.910 -0.424 13.334 1.00 0.00 O ATOM 264 NE2 GLN A 18 -7.192 0.814 14.699 1.00 0.00 N ATOM 0 H GLN A 18 -6.363 4.074 9.262 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.744 3.726 11.588 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -7.297 2.773 11.953 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.518 1.368 11.252 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.643 1.858 13.045 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -5.904 2.778 13.841 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -7.475 1.746 15.003 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -7.605 -0.012 15.133 1.00 0.00 H new ATOM 273 N TYR A 19 -4.193 1.210 10.355 1.00 0.00 N ATOM 274 CA TYR A 19 -3.420 0.331 9.484 1.00 0.00 C ATOM 275 C TYR A 19 -3.634 -1.132 9.860 1.00 0.00 C ATOM 276 O TYR A 19 -3.698 -1.478 11.039 1.00 0.00 O ATOM 277 CB TYR A 19 -1.933 0.677 9.565 1.00 0.00 C ATOM 278 CG TYR A 19 -1.390 0.696 10.976 1.00 0.00 C ATOM 279 CD1 TYR A 19 -0.983 -0.477 11.599 1.00 0.00 C ATOM 280 CD2 TYR A 19 -1.286 1.886 11.685 1.00 0.00 C ATOM 281 CE1 TYR A 19 -0.487 -0.464 12.889 1.00 0.00 C ATOM 282 CE2 TYR A 19 -0.790 1.907 12.975 1.00 0.00 C ATOM 283 CZ TYR A 19 -0.392 0.730 13.572 1.00 0.00 C ATOM 284 OH TYR A 19 0.102 0.746 14.856 1.00 0.00 O ATOM 0 H TYR A 19 -4.340 0.847 11.297 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.765 0.480 8.461 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.368 -0.047 8.977 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.771 1.654 9.109 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.055 -1.414 11.067 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.598 2.810 11.221 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -0.175 -1.385 13.360 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.715 2.841 13.512 1.00 0.00 H new ATOM 0 HH TYR A 19 0.104 1.666 15.194 1.00 0.00 H new ATOM 294 N THR A 20 -3.747 -1.985 8.847 1.00 0.00 N ATOM 295 CA THR A 20 -3.959 -3.412 9.066 1.00 0.00 C ATOM 296 C THR A 20 -2.643 -4.188 9.019 1.00 0.00 C ATOM 297 O THR A 20 -2.590 -5.355 9.408 1.00 0.00 O ATOM 298 CB THR A 20 -4.926 -3.970 8.021 1.00 0.00 C ATOM 299 OG1 THR A 20 -4.268 -4.163 6.781 1.00 0.00 O ATOM 300 CG2 THR A 20 -6.122 -3.075 7.771 1.00 0.00 C ATOM 0 H THR A 20 -3.695 -1.713 7.865 1.00 0.00 H new ATOM 0 HA THR A 20 -4.389 -3.533 10.060 1.00 0.00 H new ATOM 0 HB THR A 20 -5.280 -4.915 8.432 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.745 -4.843 6.260 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.767 -3.531 7.019 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.680 -2.947 8.698 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.781 -2.103 7.415 1.00 0.00 H new ATOM 308 N VAL A 21 -1.583 -3.541 8.540 1.00 0.00 N ATOM 309 CA VAL A 21 -0.279 -4.186 8.445 1.00 0.00 C ATOM 310 C VAL A 21 0.853 -3.176 8.607 1.00 0.00 C ATOM 311 O VAL A 21 0.763 -2.044 8.132 1.00 0.00 O ATOM 312 CB VAL A 21 -0.111 -4.918 7.101 1.00 0.00 C ATOM 313 CG1 VAL A 21 -1.129 -6.041 6.973 1.00 0.00 C ATOM 314 CG2 VAL A 21 -0.234 -3.942 5.939 1.00 0.00 C ATOM 0 H VAL A 21 -1.603 -2.575 8.213 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.229 -4.913 9.256 1.00 0.00 H new ATOM 0 HB VAL A 21 0.886 -5.357 7.071 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.995 -6.547 6.017 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.987 -6.755 7.784 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.136 -5.627 7.026 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.112 -4.479 4.998 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.216 -3.470 5.963 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.538 -3.177 6.023 1.00 0.00 H new ATOM 324 N GLU A 22 1.919 -3.598 9.280 1.00 0.00 N ATOM 325 CA GLU A 22 3.073 -2.736 9.507 1.00 0.00 C ATOM 326 C GLU A 22 3.808 -2.454 8.201 1.00 0.00 C ATOM 327 O GLU A 22 3.398 -2.911 7.134 1.00 0.00 O ATOM 328 CB GLU A 22 4.027 -3.385 10.510 1.00 0.00 C ATOM 329 CG GLU A 22 4.512 -4.762 10.084 1.00 0.00 C ATOM 330 CD GLU A 22 5.993 -4.963 10.338 1.00 0.00 C ATOM 331 OE1 GLU A 22 6.752 -3.977 10.233 1.00 0.00 O ATOM 332 OE2 GLU A 22 6.393 -6.107 10.641 1.00 0.00 O ATOM 0 H GLU A 22 2.007 -4.533 9.678 1.00 0.00 H new ATOM 0 HA GLU A 22 2.715 -1.790 9.913 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.889 -2.733 10.653 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.526 -3.468 11.475 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.948 -5.524 10.622 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.307 -4.903 9.023 1.00 0.00 H new ATOM 339 N ASP A 23 4.899 -1.700 8.294 1.00 0.00 N ATOM 340 CA ASP A 23 5.695 -1.359 7.120 1.00 0.00 C ATOM 341 C ASP A 23 6.223 -2.619 6.441 1.00 0.00 C ATOM 342 O ASP A 23 6.915 -3.426 7.061 1.00 0.00 O ATOM 343 CB ASP A 23 6.861 -0.451 7.515 1.00 0.00 C ATOM 344 CG ASP A 23 7.804 -1.114 8.499 1.00 0.00 C ATOM 345 OD1 ASP A 23 7.318 -1.645 9.520 1.00 0.00 O ATOM 346 OD2 ASP A 23 9.027 -1.103 8.250 1.00 0.00 O ATOM 0 H ASP A 23 5.252 -1.314 9.170 1.00 0.00 H new ATOM 0 HA ASP A 23 5.054 -0.828 6.416 1.00 0.00 H new ATOM 0 HB2 ASP A 23 7.415 -0.167 6.621 1.00 0.00 H new ATOM 0 HB3 ASP A 23 6.470 0.467 7.953 1.00 0.00 H new ATOM 351 N GLY A 24 5.890 -2.781 5.165 1.00 0.00 N ATOM 352 CA GLY A 24 6.338 -3.947 4.426 1.00 0.00 C ATOM 353 C GLY A 24 5.508 -5.179 4.731 1.00 0.00 C ATOM 354 O GLY A 24 5.985 -6.305 4.595 1.00 0.00 O ATOM 0 H GLY A 24 5.319 -2.127 4.630 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.292 -3.736 3.358 1.00 0.00 H new ATOM 0 HA3 GLY A 24 7.382 -4.147 4.666 1.00 0.00 H new ATOM 358 N GLY A 25 4.263 -4.964 5.143 1.00 0.00 N ATOM 359 CA GLY A 25 3.385 -6.074 5.461 1.00 0.00 C ATOM 360 C GLY A 25 3.006 -6.883 4.236 1.00 0.00 C ATOM 361 O GLY A 25 2.320 -6.384 3.343 1.00 0.00 O ATOM 0 H GLY A 25 3.847 -4.041 5.262 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.875 -6.725 6.185 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.480 -5.693 5.935 1.00 0.00 H new ATOM 365 N HIS A 26 3.453 -8.133 4.192 1.00 0.00 N ATOM 366 CA HIS A 26 3.157 -9.012 3.065 1.00 0.00 C ATOM 367 C HIS A 26 1.655 -9.242 2.934 1.00 0.00 C ATOM 368 O HIS A 26 1.012 -9.753 3.851 1.00 0.00 O ATOM 369 CB HIS A 26 3.877 -10.351 3.234 1.00 0.00 C ATOM 370 CG HIS A 26 3.534 -11.058 4.508 1.00 0.00 C ATOM 371 ND1 HIS A 26 2.526 -11.994 4.602 1.00 0.00 N ATOM 372 CD2 HIS A 26 4.072 -10.963 5.747 1.00 0.00 C ATOM 373 CE1 HIS A 26 2.458 -12.443 5.843 1.00 0.00 C ATOM 374 NE2 HIS A 26 3.386 -11.833 6.557 1.00 0.00 N ATOM 0 H HIS A 26 4.021 -8.561 4.923 1.00 0.00 H new ATOM 0 HA HIS A 26 3.512 -8.528 2.155 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.629 -10.997 2.392 1.00 0.00 H new ATOM 0 HB3 HIS A 26 4.953 -10.182 3.200 1.00 0.00 H new ATOM 0 HD2 HIS A 26 4.889 -10.322 6.043 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.762 -13.183 6.210 1.00 0.00 H new ATOM 0 HE2 HIS A 26 3.564 -11.984 7.550 1.00 0.00 H new ATOM 383 N VAL A 27 1.101 -8.860 1.787 1.00 0.00 N ATOM 384 CA VAL A 27 -0.326 -9.025 1.535 1.00 0.00 C ATOM 385 C VAL A 27 -0.593 -9.337 0.066 1.00 0.00 C ATOM 386 O VAL A 27 -0.015 -8.716 -0.825 1.00 0.00 O ATOM 387 CB VAL A 27 -1.115 -7.763 1.931 1.00 0.00 C ATOM 388 CG1 VAL A 27 -1.007 -7.512 3.427 1.00 0.00 C ATOM 389 CG2 VAL A 27 -0.626 -6.558 1.143 1.00 0.00 C ATOM 0 H VAL A 27 1.619 -8.434 1.018 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.661 -9.862 2.148 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.166 -7.923 1.689 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.571 -6.616 3.687 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.412 -8.366 3.969 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.040 -7.373 3.698 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.195 -5.676 1.436 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.431 -6.393 1.350 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.763 -6.740 0.077 1.00 0.00 H new ATOM 399 N GLU A 28 -1.475 -10.301 -0.178 1.00 0.00 N ATOM 400 CA GLU A 28 -1.820 -10.692 -1.540 1.00 0.00 C ATOM 401 C GLU A 28 -2.903 -9.779 -2.109 1.00 0.00 C ATOM 402 O GLU A 28 -3.589 -9.076 -1.367 1.00 0.00 O ATOM 403 CB GLU A 28 -2.291 -12.148 -1.573 1.00 0.00 C ATOM 404 CG GLU A 28 -3.643 -12.369 -0.912 1.00 0.00 C ATOM 405 CD GLU A 28 -3.582 -13.373 0.223 1.00 0.00 C ATOM 406 OE1 GLU A 28 -2.520 -13.472 0.873 1.00 0.00 O ATOM 407 OE2 GLU A 28 -4.597 -14.062 0.461 1.00 0.00 O ATOM 0 H GLU A 28 -1.963 -10.825 0.548 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.927 -10.595 -2.157 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.345 -12.480 -2.610 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.548 -12.772 -1.077 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.016 -11.418 -0.531 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.356 -12.715 -1.660 1.00 0.00 H new ATOM 414 N ALA A 29 -3.051 -9.796 -3.431 1.00 0.00 N ATOM 415 CA ALA A 29 -4.051 -8.972 -4.103 1.00 0.00 C ATOM 416 C ALA A 29 -5.415 -9.089 -3.428 1.00 0.00 C ATOM 417 O ALA A 29 -5.905 -10.191 -3.183 1.00 0.00 O ATOM 418 CB ALA A 29 -4.153 -9.359 -5.571 1.00 0.00 C ATOM 0 H ALA A 29 -2.490 -10.372 -4.059 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.731 -7.932 -4.031 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.902 -8.737 -6.060 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.187 -9.211 -6.054 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -4.443 -10.407 -5.652 1.00 0.00 H new ATOM 424 N GLY A 30 -6.024 -7.945 -3.130 1.00 0.00 N ATOM 425 CA GLY A 30 -7.325 -7.943 -2.488 1.00 0.00 C ATOM 426 C GLY A 30 -7.230 -7.806 -0.980 1.00 0.00 C ATOM 427 O GLY A 30 -8.173 -7.350 -0.332 1.00 0.00 O ATOM 0 H GLY A 30 -5.639 -7.020 -3.322 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.922 -7.123 -2.887 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.849 -8.867 -2.733 1.00 0.00 H new ATOM 431 N SER A 31 -6.092 -8.202 -0.420 1.00 0.00 N ATOM 432 CA SER A 31 -5.882 -8.122 1.021 1.00 0.00 C ATOM 433 C SER A 31 -5.710 -6.673 1.466 1.00 0.00 C ATOM 434 O SER A 31 -4.903 -5.932 0.904 1.00 0.00 O ATOM 435 CB SER A 31 -4.654 -8.940 1.425 1.00 0.00 C ATOM 436 OG SER A 31 -4.336 -8.743 2.792 1.00 0.00 O ATOM 0 H SER A 31 -5.302 -8.581 -0.941 1.00 0.00 H new ATOM 0 HA SER A 31 -6.763 -8.533 1.514 1.00 0.00 H new ATOM 0 HB2 SER A 31 -4.841 -9.998 1.241 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.803 -8.655 0.806 1.00 0.00 H new ATOM 0 HG SER A 31 -3.549 -9.278 3.025 1.00 0.00 H new ATOM 442 N SER A 32 -6.474 -6.276 2.478 1.00 0.00 N ATOM 443 CA SER A 32 -6.407 -4.916 2.999 1.00 0.00 C ATOM 444 C SER A 32 -5.060 -4.654 3.666 1.00 0.00 C ATOM 445 O SER A 32 -4.539 -5.503 4.390 1.00 0.00 O ATOM 446 CB SER A 32 -7.540 -4.672 3.997 1.00 0.00 C ATOM 447 OG SER A 32 -7.929 -5.879 4.631 1.00 0.00 O ATOM 0 H SER A 32 -7.147 -6.877 2.954 1.00 0.00 H new ATOM 0 HA SER A 32 -6.517 -4.228 2.161 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.219 -3.950 4.748 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.396 -4.236 3.481 1.00 0.00 H new ATOM 0 HG SER A 32 -8.653 -5.697 5.265 1.00 0.00 H new ATOM 453 N TYR A 33 -4.502 -3.474 3.417 1.00 0.00 N ATOM 454 CA TYR A 33 -3.214 -3.099 3.993 1.00 0.00 C ATOM 455 C TYR A 33 -3.352 -1.901 4.933 1.00 0.00 C ATOM 456 O TYR A 33 -2.436 -1.594 5.696 1.00 0.00 O ATOM 457 CB TYR A 33 -2.208 -2.783 2.884 1.00 0.00 C ATOM 458 CG TYR A 33 -2.523 -1.520 2.113 1.00 0.00 C ATOM 459 CD1 TYR A 33 -2.027 -0.290 2.525 1.00 0.00 C ATOM 460 CD2 TYR A 33 -3.316 -1.559 0.973 1.00 0.00 C ATOM 461 CE1 TYR A 33 -2.312 0.866 1.824 1.00 0.00 C ATOM 462 CE2 TYR A 33 -3.605 -0.408 0.265 1.00 0.00 C ATOM 463 CZ TYR A 33 -3.101 0.802 0.695 1.00 0.00 C ATOM 464 OH TYR A 33 -3.386 1.950 -0.007 1.00 0.00 O ATOM 0 H TYR A 33 -4.921 -2.760 2.820 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.850 -3.945 4.575 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.215 -2.691 3.323 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.173 -3.622 2.189 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.408 -0.236 3.408 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.713 -2.505 0.634 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.919 1.815 2.159 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -4.222 -0.455 -0.620 1.00 0.00 H new ATOM 0 HH TYR A 33 -2.645 2.584 0.088 1.00 0.00 H new ATOM 474 N ALA A 34 -4.497 -1.226 4.874 1.00 0.00 N ATOM 475 CA ALA A 34 -4.744 -0.066 5.721 1.00 0.00 C ATOM 476 C ALA A 34 -6.186 0.408 5.590 1.00 0.00 C ATOM 477 O ALA A 34 -7.020 -0.270 4.990 1.00 0.00 O ATOM 478 CB ALA A 34 -3.784 1.060 5.369 1.00 0.00 C ATOM 0 H ALA A 34 -5.267 -1.463 4.249 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.576 -0.361 6.757 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.981 1.919 6.010 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.758 0.723 5.518 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.924 1.345 4.326 1.00 0.00 H new ATOM 484 N GLU A 35 -6.474 1.575 6.155 1.00 0.00 N ATOM 485 CA GLU A 35 -7.817 2.138 6.102 1.00 0.00 C ATOM 486 C GLU A 35 -7.765 3.658 6.021 1.00 0.00 C ATOM 487 O GLU A 35 -6.730 4.269 6.284 1.00 0.00 O ATOM 488 CB GLU A 35 -8.621 1.712 7.333 1.00 0.00 C ATOM 489 CG GLU A 35 -8.921 0.223 7.380 1.00 0.00 C ATOM 490 CD GLU A 35 -9.367 -0.238 8.754 1.00 0.00 C ATOM 491 OE1 GLU A 35 -8.514 -0.303 9.664 1.00 0.00 O ATOM 492 OE2 GLU A 35 -10.570 -0.533 8.920 1.00 0.00 O ATOM 0 H GLU A 35 -5.795 2.149 6.655 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.307 1.758 5.206 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.070 1.991 8.231 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.561 2.264 7.351 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.698 -0.011 6.652 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.031 -0.333 7.085 1.00 0.00 H new ATOM 499 N MET A 36 -8.890 4.264 5.658 1.00 0.00 N ATOM 500 CA MET A 36 -8.973 5.714 5.546 1.00 0.00 C ATOM 501 C MET A 36 -10.399 6.196 5.791 1.00 0.00 C ATOM 502 O MET A 36 -11.317 5.856 5.045 1.00 0.00 O ATOM 503 CB MET A 36 -8.493 6.170 4.167 1.00 0.00 C ATOM 504 CG MET A 36 -9.402 5.735 3.029 1.00 0.00 C ATOM 505 SD MET A 36 -8.501 5.427 1.498 1.00 0.00 S ATOM 506 CE MET A 36 -9.852 5.095 0.370 1.00 0.00 C ATOM 0 H MET A 36 -9.756 3.773 5.437 1.00 0.00 H new ATOM 0 HA MET A 36 -8.326 6.151 6.307 1.00 0.00 H new ATOM 0 HB2 MET A 36 -8.413 7.257 4.161 1.00 0.00 H new ATOM 0 HB3 MET A 36 -7.492 5.776 3.992 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.935 4.830 3.321 1.00 0.00 H new ATOM 0 HG3 MET A 36 -10.153 6.505 2.855 1.00 0.00 H new ATOM 0 HE1 MET A 36 -9.571 4.288 -0.307 1.00 0.00 H new ATOM 0 HE2 MET A 36 -10.736 4.802 0.937 1.00 0.00 H new ATOM 0 HE3 MET A 36 -10.073 5.993 -0.208 1.00 0.00 H new ATOM 516 N GLU A 37 -10.578 6.987 6.844 1.00 0.00 N ATOM 517 CA GLU A 37 -11.893 7.513 7.189 1.00 0.00 C ATOM 518 C GLU A 37 -12.148 8.847 6.495 1.00 0.00 C ATOM 519 O GLU A 37 -11.635 9.885 6.913 1.00 0.00 O ATOM 520 CB GLU A 37 -12.015 7.683 8.704 1.00 0.00 C ATOM 521 CG GLU A 37 -13.430 7.985 9.170 1.00 0.00 C ATOM 522 CD GLU A 37 -13.611 7.771 10.660 1.00 0.00 C ATOM 523 OE1 GLU A 37 -13.238 8.673 11.439 1.00 0.00 O ATOM 524 OE2 GLU A 37 -14.127 6.702 11.048 1.00 0.00 O ATOM 0 H GLU A 37 -9.829 7.277 7.473 1.00 0.00 H new ATOM 0 HA GLU A 37 -12.642 6.799 6.847 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.667 6.773 9.193 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.356 8.489 9.025 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.678 9.017 8.922 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -14.131 7.350 8.628 1.00 0.00 H new ATOM 531 N VAL A 38 -12.947 8.810 5.435 1.00 0.00 N ATOM 532 CA VAL A 38 -13.279 10.012 4.682 1.00 0.00 C ATOM 533 C VAL A 38 -14.556 10.650 5.226 1.00 0.00 C ATOM 534 O VAL A 38 -15.288 10.028 5.996 1.00 0.00 O ATOM 535 CB VAL A 38 -13.452 9.697 3.180 1.00 0.00 C ATOM 536 CG1 VAL A 38 -14.621 8.750 2.959 1.00 0.00 C ATOM 537 CG2 VAL A 38 -13.632 10.974 2.375 1.00 0.00 C ATOM 0 H VAL A 38 -13.378 7.957 5.077 1.00 0.00 H new ATOM 0 HA VAL A 38 -12.453 10.714 4.796 1.00 0.00 H new ATOM 0 HB VAL A 38 -12.545 9.204 2.831 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -14.724 8.542 1.894 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -14.441 7.818 3.495 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -15.537 9.210 3.329 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -13.752 10.726 1.320 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -14.518 11.504 2.726 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -12.756 11.610 2.501 1.00 0.00 H new ATOM 547 N MET A 39 -14.818 11.893 4.832 1.00 0.00 N ATOM 548 CA MET A 39 -16.005 12.605 5.295 1.00 0.00 C ATOM 549 C MET A 39 -17.277 11.818 4.990 1.00 0.00 C ATOM 550 O MET A 39 -18.298 11.991 5.656 1.00 0.00 O ATOM 551 CB MET A 39 -16.081 13.988 4.646 1.00 0.00 C ATOM 552 CG MET A 39 -14.758 14.736 4.652 1.00 0.00 C ATOM 553 SD MET A 39 -14.965 16.511 4.892 1.00 0.00 S ATOM 554 CE MET A 39 -15.178 17.059 3.201 1.00 0.00 C ATOM 0 H MET A 39 -14.226 12.427 4.195 1.00 0.00 H new ATOM 0 HA MET A 39 -15.925 12.719 6.376 1.00 0.00 H new ATOM 0 HB2 MET A 39 -16.423 13.879 3.617 1.00 0.00 H new ATOM 0 HB3 MET A 39 -16.829 14.585 5.168 1.00 0.00 H new ATOM 0 HG2 MET A 39 -14.123 14.338 5.444 1.00 0.00 H new ATOM 0 HG3 MET A 39 -14.240 14.559 3.709 1.00 0.00 H new ATOM 0 HE1 MET A 39 -15.318 18.140 3.184 1.00 0.00 H new ATOM 0 HE2 MET A 39 -14.293 16.798 2.620 1.00 0.00 H new ATOM 0 HE3 MET A 39 -16.053 16.573 2.768 1.00 0.00 H new ATOM 564 N LYS A 40 -17.210 10.950 3.986 1.00 0.00 N ATOM 565 CA LYS A 40 -18.359 10.137 3.607 1.00 0.00 C ATOM 566 C LYS A 40 -18.547 8.980 4.583 1.00 0.00 C ATOM 567 O LYS A 40 -19.432 9.013 5.438 1.00 0.00 O ATOM 568 CB LYS A 40 -18.183 9.599 2.185 1.00 0.00 C ATOM 569 CG LYS A 40 -18.365 10.655 1.108 1.00 0.00 C ATOM 570 CD LYS A 40 -19.787 10.664 0.570 1.00 0.00 C ATOM 571 CE LYS A 40 -19.907 11.530 -0.673 1.00 0.00 C ATOM 572 NZ LYS A 40 -19.801 12.980 -0.352 1.00 0.00 N ATOM 0 H LYS A 40 -16.375 10.792 3.422 1.00 0.00 H new ATOM 0 HA LYS A 40 -19.248 10.767 3.640 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -17.188 9.164 2.091 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -18.900 8.795 2.018 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -18.123 11.637 1.515 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -17.667 10.468 0.292 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -20.095 9.645 0.336 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -20.466 11.033 1.339 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -19.126 11.257 -1.382 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -20.862 11.335 -1.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -19.888 13.536 -1.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -20.562 13.247 0.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -18.879 13.171 0.090 1.00 0.00 H new ATOM 586 N MET A 41 -17.706 7.959 4.451 1.00 0.00 N ATOM 587 CA MET A 41 -17.775 6.791 5.322 1.00 0.00 C ATOM 588 C MET A 41 -16.403 6.140 5.466 1.00 0.00 C ATOM 589 O MET A 41 -15.432 6.572 4.844 1.00 0.00 O ATOM 590 CB MET A 41 -18.779 5.776 4.771 1.00 0.00 C ATOM 591 CG MET A 41 -20.228 6.209 4.925 1.00 0.00 C ATOM 592 SD MET A 41 -21.335 4.824 5.254 1.00 0.00 S ATOM 593 CE MET A 41 -22.738 5.676 5.972 1.00 0.00 C ATOM 0 H MET A 41 -16.968 7.917 3.748 1.00 0.00 H new ATOM 0 HA MET A 41 -18.107 7.121 6.306 1.00 0.00 H new ATOM 0 HB2 MET A 41 -18.569 5.607 3.715 1.00 0.00 H new ATOM 0 HB3 MET A 41 -18.637 4.823 5.281 1.00 0.00 H new ATOM 0 HG2 MET A 41 -20.303 6.930 5.739 1.00 0.00 H new ATOM 0 HG3 MET A 41 -20.550 6.718 4.017 1.00 0.00 H new ATOM 0 HE1 MET A 41 -23.511 4.952 6.230 1.00 0.00 H new ATOM 0 HE2 MET A 41 -22.422 6.204 6.871 1.00 0.00 H new ATOM 0 HE3 MET A 41 -23.137 6.391 5.252 1.00 0.00 H new ATOM 603 N ILE A 42 -16.329 5.098 6.287 1.00 0.00 N ATOM 604 CA ILE A 42 -15.076 4.386 6.509 1.00 0.00 C ATOM 605 C ILE A 42 -14.821 3.373 5.396 1.00 0.00 C ATOM 606 O ILE A 42 -15.754 2.769 4.869 1.00 0.00 O ATOM 607 CB ILE A 42 -15.079 3.656 7.869 1.00 0.00 C ATOM 608 CG1 ILE A 42 -13.737 2.958 8.107 1.00 0.00 C ATOM 609 CG2 ILE A 42 -16.221 2.653 7.930 1.00 0.00 C ATOM 610 CD1 ILE A 42 -12.551 3.897 8.066 1.00 0.00 C ATOM 0 H ILE A 42 -17.123 4.728 6.810 1.00 0.00 H new ATOM 0 HA ILE A 42 -14.279 5.130 6.509 1.00 0.00 H new ATOM 0 HB ILE A 42 -15.226 4.394 8.657 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -13.763 2.460 9.076 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -13.602 2.182 7.354 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -16.209 2.147 8.895 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -17.170 3.174 7.805 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -16.103 1.918 7.133 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -11.635 3.334 8.243 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -12.500 4.376 7.088 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -12.663 4.659 8.838 1.00 0.00 H new ATOM 622 N MET A 43 -13.552 3.193 5.043 1.00 0.00 N ATOM 623 CA MET A 43 -13.180 2.254 3.990 1.00 0.00 C ATOM 624 C MET A 43 -11.839 1.593 4.293 1.00 0.00 C ATOM 625 O MET A 43 -11.090 2.050 5.156 1.00 0.00 O ATOM 626 CB MET A 43 -13.114 2.969 2.640 1.00 0.00 C ATOM 627 CG MET A 43 -14.471 3.417 2.121 1.00 0.00 C ATOM 628 SD MET A 43 -15.386 2.082 1.328 1.00 0.00 S ATOM 629 CE MET A 43 -16.539 3.013 0.322 1.00 0.00 C ATOM 0 H MET A 43 -12.766 3.683 5.469 1.00 0.00 H new ATOM 0 HA MET A 43 -13.944 1.478 3.947 1.00 0.00 H new ATOM 0 HB2 MET A 43 -12.464 3.839 2.731 1.00 0.00 H new ATOM 0 HB3 MET A 43 -12.656 2.304 1.908 1.00 0.00 H new ATOM 0 HG2 MET A 43 -15.059 3.814 2.948 1.00 0.00 H new ATOM 0 HG3 MET A 43 -14.333 4.231 1.409 1.00 0.00 H new ATOM 0 HE1 MET A 43 -17.177 2.324 -0.232 1.00 0.00 H new ATOM 0 HE2 MET A 43 -17.155 3.643 0.963 1.00 0.00 H new ATOM 0 HE3 MET A 43 -15.987 3.639 -0.379 1.00 0.00 H new ATOM 639 N THR A 44 -11.543 0.513 3.575 1.00 0.00 N ATOM 640 CA THR A 44 -10.292 -0.214 3.762 1.00 0.00 C ATOM 641 C THR A 44 -9.478 -0.234 2.473 1.00 0.00 C ATOM 642 O THR A 44 -10.011 -0.494 1.394 1.00 0.00 O ATOM 643 CB THR A 44 -10.571 -1.647 4.223 1.00 0.00 C ATOM 644 OG1 THR A 44 -11.907 -1.781 4.674 1.00 0.00 O ATOM 645 CG2 THR A 44 -9.661 -2.105 5.342 1.00 0.00 C ATOM 0 H THR A 44 -12.154 0.122 2.858 1.00 0.00 H new ATOM 0 HA THR A 44 -9.714 0.301 4.530 1.00 0.00 H new ATOM 0 HB THR A 44 -10.386 -2.270 3.348 1.00 0.00 H new ATOM 0 HG1 THR A 44 -12.064 -2.704 4.962 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.913 -3.128 5.620 1.00 0.00 H new ATOM 0 HG22 THR A 44 -8.624 -2.065 5.008 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.789 -1.452 6.206 1.00 0.00 H new ATOM 653 N LEU A 45 -8.183 0.038 2.592 1.00 0.00 N ATOM 654 CA LEU A 45 -7.296 0.045 1.435 1.00 0.00 C ATOM 655 C LEU A 45 -6.656 -1.325 1.240 1.00 0.00 C ATOM 656 O LEU A 45 -6.212 -1.954 2.200 1.00 0.00 O ATOM 657 CB LEU A 45 -6.211 1.111 1.603 1.00 0.00 C ATOM 658 CG LEU A 45 -6.728 2.540 1.773 1.00 0.00 C ATOM 659 CD1 LEU A 45 -7.001 2.839 3.239 1.00 0.00 C ATOM 660 CD2 LEU A 45 -5.731 3.537 1.200 1.00 0.00 C ATOM 0 H LEU A 45 -7.725 0.256 3.477 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.889 0.281 0.551 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.603 0.855 2.471 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.554 1.079 0.733 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.665 2.635 1.225 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.368 3.860 3.340 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.751 2.145 3.618 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.080 2.726 3.811 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.114 4.549 1.329 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.779 3.440 1.722 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.585 3.337 0.139 1.00 0.00 H new ATOM 672 N ASN A 46 -6.613 -1.783 -0.007 1.00 0.00 N ATOM 673 CA ASN A 46 -6.028 -3.081 -0.322 1.00 0.00 C ATOM 674 C ASN A 46 -5.059 -2.975 -1.494 1.00 0.00 C ATOM 675 O ASN A 46 -4.959 -1.931 -2.138 1.00 0.00 O ATOM 676 CB ASN A 46 -7.129 -4.094 -0.646 1.00 0.00 C ATOM 677 CG ASN A 46 -8.017 -3.638 -1.787 1.00 0.00 C ATOM 678 OD1 ASN A 46 -7.841 -4.056 -2.931 1.00 0.00 O ATOM 679 ND2 ASN A 46 -8.978 -2.774 -1.479 1.00 0.00 N ATOM 0 H ASN A 46 -6.976 -1.276 -0.814 1.00 0.00 H new ATOM 0 HA ASN A 46 -5.474 -3.422 0.552 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -6.674 -5.051 -0.903 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -7.739 -4.260 0.242 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -9.607 -2.430 -2.205 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -9.087 -2.454 -0.517 1.00 0.00 H new ATOM 686 N VAL A 47 -4.348 -4.064 -1.765 1.00 0.00 N ATOM 687 CA VAL A 47 -3.386 -4.096 -2.860 1.00 0.00 C ATOM 688 C VAL A 47 -4.024 -4.633 -4.136 1.00 0.00 C ATOM 689 O VAL A 47 -4.962 -5.429 -4.085 1.00 0.00 O ATOM 690 CB VAL A 47 -2.164 -4.965 -2.508 1.00 0.00 C ATOM 691 CG1 VAL A 47 -1.367 -4.335 -1.377 1.00 0.00 C ATOM 692 CG2 VAL A 47 -2.601 -6.375 -2.141 1.00 0.00 C ATOM 0 H VAL A 47 -4.420 -4.936 -1.241 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.059 -3.069 -3.024 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.519 -5.025 -3.385 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.508 -4.964 -1.143 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.021 -3.347 -1.682 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.999 -4.242 -0.494 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.725 -6.975 -1.895 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.268 -6.337 -1.280 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.124 -6.825 -2.985 1.00 0.00 H new ATOM 702 N GLN A 48 -3.509 -4.194 -5.279 1.00 0.00 N ATOM 703 CA GLN A 48 -4.030 -4.633 -6.570 1.00 0.00 C ATOM 704 C GLN A 48 -3.375 -5.939 -7.018 1.00 0.00 C ATOM 705 O GLN A 48 -3.869 -6.608 -7.926 1.00 0.00 O ATOM 706 CB GLN A 48 -3.823 -3.550 -7.635 1.00 0.00 C ATOM 707 CG GLN A 48 -2.453 -2.888 -7.590 1.00 0.00 C ATOM 708 CD GLN A 48 -1.316 -3.888 -7.655 1.00 0.00 C ATOM 709 OE1 GLN A 48 -1.099 -4.532 -8.682 1.00 0.00 O ATOM 710 NE2 GLN A 48 -0.581 -4.022 -6.557 1.00 0.00 N ATOM 0 H GLN A 48 -2.732 -3.535 -5.339 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.099 -4.810 -6.450 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.969 -3.992 -8.621 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.589 -2.784 -7.513 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.364 -2.189 -8.422 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.366 -2.305 -6.673 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -0.797 -3.468 -5.728 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.199 -4.679 -6.543 1.00 0.00 H new ATOM 719 N GLU A 49 -2.265 -6.299 -6.379 1.00 0.00 N ATOM 720 CA GLU A 49 -1.553 -7.525 -6.720 1.00 0.00 C ATOM 721 C GLU A 49 -0.744 -8.034 -5.532 1.00 0.00 C ATOM 722 O GLU A 49 -0.611 -7.347 -4.519 1.00 0.00 O ATOM 723 CB GLU A 49 -0.629 -7.289 -7.917 1.00 0.00 C ATOM 724 CG GLU A 49 -1.354 -7.277 -9.253 1.00 0.00 C ATOM 725 CD GLU A 49 -0.412 -7.092 -10.426 1.00 0.00 C ATOM 726 OE1 GLU A 49 -0.062 -5.932 -10.729 1.00 0.00 O ATOM 727 OE2 GLU A 49 -0.023 -8.107 -11.041 1.00 0.00 O ATOM 0 H GLU A 49 -1.841 -5.760 -5.624 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.292 -8.281 -6.984 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.113 -6.338 -7.785 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.135 -8.067 -7.935 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.900 -8.213 -9.374 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.092 -6.475 -9.254 1.00 0.00 H new ATOM 734 N ARG A 50 -0.205 -9.241 -5.664 1.00 0.00 N ATOM 735 CA ARG A 50 0.591 -9.843 -4.601 1.00 0.00 C ATOM 736 C ARG A 50 1.909 -9.096 -4.420 1.00 0.00 C ATOM 737 O ARG A 50 2.579 -8.755 -5.394 1.00 0.00 O ATOM 738 CB ARG A 50 0.864 -11.316 -4.910 1.00 0.00 C ATOM 739 CG ARG A 50 -0.321 -12.225 -4.631 1.00 0.00 C ATOM 740 CD ARG A 50 -1.327 -12.193 -5.770 1.00 0.00 C ATOM 741 NE ARG A 50 -0.754 -12.683 -7.022 1.00 0.00 N ATOM 742 CZ ARG A 50 -1.472 -12.954 -8.109 1.00 0.00 C ATOM 743 NH1 ARG A 50 -2.788 -12.785 -8.104 1.00 0.00 N ATOM 744 NH2 ARG A 50 -0.872 -13.396 -9.206 1.00 0.00 N ATOM 0 H ARG A 50 -0.305 -9.822 -6.497 1.00 0.00 H new ATOM 0 HA ARG A 50 0.024 -9.774 -3.673 1.00 0.00 H new ATOM 0 HB2 ARG A 50 1.147 -11.413 -5.958 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.716 -11.651 -4.318 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.029 -13.246 -4.482 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.807 -11.917 -3.706 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.193 -12.800 -5.506 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.684 -11.173 -5.910 1.00 0.00 H new ATOM 0 HE ARG A 50 0.255 -12.826 -7.065 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -3.255 -12.445 -7.263 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.332 -12.995 -8.941 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.139 -13.528 -9.216 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -1.422 -13.604 -10.040 1.00 0.00 H new ATOM 758 N GLY A 51 2.274 -8.846 -3.167 1.00 0.00 N ATOM 759 CA GLY A 51 3.510 -8.142 -2.881 1.00 0.00 C ATOM 760 C GLY A 51 3.535 -7.565 -1.479 1.00 0.00 C ATOM 761 O GLY A 51 2.544 -7.638 -0.753 1.00 0.00 O ATOM 0 H GLY A 51 1.736 -9.118 -2.344 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.351 -8.824 -3.005 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.643 -7.338 -3.605 1.00 0.00 H new ATOM 765 N ARG A 52 4.671 -6.990 -1.098 1.00 0.00 N ATOM 766 CA ARG A 52 4.820 -6.398 0.227 1.00 0.00 C ATOM 767 C ARG A 52 4.516 -4.904 0.190 1.00 0.00 C ATOM 768 O ARG A 52 5.149 -4.149 -0.547 1.00 0.00 O ATOM 769 CB ARG A 52 6.236 -6.631 0.757 1.00 0.00 C ATOM 770 CG ARG A 52 6.361 -7.865 1.636 1.00 0.00 C ATOM 771 CD ARG A 52 6.477 -9.132 0.804 1.00 0.00 C ATOM 772 NE ARG A 52 7.654 -9.113 -0.062 1.00 0.00 N ATOM 773 CZ ARG A 52 8.900 -9.278 0.377 1.00 0.00 C ATOM 774 NH1 ARG A 52 9.136 -9.477 1.668 1.00 0.00 N ATOM 775 NH2 ARG A 52 9.913 -9.246 -0.478 1.00 0.00 N ATOM 0 H ARG A 52 5.501 -6.921 -1.687 1.00 0.00 H new ATOM 0 HA ARG A 52 4.107 -6.879 0.896 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.920 -6.725 -0.087 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.551 -5.756 1.326 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.237 -7.769 2.278 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.492 -7.936 2.290 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.528 -9.997 1.466 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.581 -9.249 0.195 1.00 0.00 H new ATOM 0 HE ARG A 52 7.513 -8.965 -1.061 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.360 -9.504 2.330 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.093 -9.603 1.998 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.737 -9.095 -1.471 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.868 -9.372 -0.142 1.00 0.00 H new ATOM 789 N VAL A 53 3.540 -4.484 0.990 1.00 0.00 N ATOM 790 CA VAL A 53 3.150 -3.081 1.047 1.00 0.00 C ATOM 791 C VAL A 53 4.080 -2.287 1.959 1.00 0.00 C ATOM 792 O VAL A 53 4.317 -2.668 3.105 1.00 0.00 O ATOM 793 CB VAL A 53 1.702 -2.920 1.546 1.00 0.00 C ATOM 794 CG1 VAL A 53 1.259 -1.468 1.448 1.00 0.00 C ATOM 795 CG2 VAL A 53 0.764 -3.824 0.761 1.00 0.00 C ATOM 0 H VAL A 53 3.006 -5.096 1.607 1.00 0.00 H new ATOM 0 HA VAL A 53 3.222 -2.692 0.031 1.00 0.00 H new ATOM 0 HB VAL A 53 1.665 -3.216 2.594 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.233 -1.376 1.805 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.913 -0.846 2.059 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.312 -1.141 0.410 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.255 -3.697 1.127 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.805 -3.561 -0.296 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.069 -4.863 0.888 1.00 0.00 H new ATOM 805 N LYS A 54 4.599 -1.178 1.442 1.00 0.00 N ATOM 806 CA LYS A 54 5.500 -0.325 2.208 1.00 0.00 C ATOM 807 C LYS A 54 4.883 1.052 2.426 1.00 0.00 C ATOM 808 O LYS A 54 4.724 1.827 1.484 1.00 0.00 O ATOM 809 CB LYS A 54 6.843 -0.186 1.488 1.00 0.00 C ATOM 810 CG LYS A 54 7.398 -1.505 0.975 1.00 0.00 C ATOM 811 CD LYS A 54 8.890 -1.412 0.702 1.00 0.00 C ATOM 812 CE LYS A 54 9.187 -0.474 -0.457 1.00 0.00 C ATOM 813 NZ LYS A 54 9.311 0.940 -0.010 1.00 0.00 N ATOM 0 H LYS A 54 4.411 -0.849 0.495 1.00 0.00 H new ATOM 0 HA LYS A 54 5.665 -0.791 3.179 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.727 0.500 0.649 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.566 0.263 2.169 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.209 -2.290 1.707 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.877 -1.790 0.061 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.403 -1.060 1.597 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.283 -2.404 0.478 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.111 -0.782 -0.946 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.393 -0.552 -1.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.532 1.500 -0.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 9.268 0.981 1.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.220 1.328 -0.334 1.00 0.00 H new ATOM 827 N TYR A 55 4.530 1.346 3.672 1.00 0.00 N ATOM 828 CA TYR A 55 3.924 2.628 4.015 1.00 0.00 C ATOM 829 C TYR A 55 4.832 3.793 3.627 1.00 0.00 C ATOM 830 O TYR A 55 6.026 3.791 3.929 1.00 0.00 O ATOM 831 CB TYR A 55 3.617 2.685 5.513 1.00 0.00 C ATOM 832 CG TYR A 55 2.258 2.130 5.873 1.00 0.00 C ATOM 833 CD1 TYR A 55 1.790 0.957 5.293 1.00 0.00 C ATOM 834 CD2 TYR A 55 1.443 2.778 6.792 1.00 0.00 C ATOM 835 CE1 TYR A 55 0.548 0.447 5.620 1.00 0.00 C ATOM 836 CE2 TYR A 55 0.200 2.274 7.124 1.00 0.00 C ATOM 837 CZ TYR A 55 -0.243 1.108 6.535 1.00 0.00 C ATOM 838 OH TYR A 55 -1.480 0.603 6.862 1.00 0.00 O ATOM 0 H TYR A 55 4.653 0.713 4.463 1.00 0.00 H new ATOM 0 HA TYR A 55 2.995 2.718 3.453 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.382 2.129 6.054 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.678 3.720 5.849 1.00 0.00 H new ATOM 0 HD1 TYR A 55 2.407 0.436 4.576 1.00 0.00 H new ATOM 0 HD2 TYR A 55 1.787 3.691 7.255 1.00 0.00 H new ATOM 0 HE1 TYR A 55 0.199 -0.466 5.161 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.421 2.790 7.841 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.588 -0.284 6.459 1.00 0.00 H new ATOM 848 N ILE A 56 4.254 4.790 2.965 1.00 0.00 N ATOM 849 CA ILE A 56 5.002 5.969 2.543 1.00 0.00 C ATOM 850 C ILE A 56 4.650 7.164 3.423 1.00 0.00 C ATOM 851 O ILE A 56 5.525 7.785 4.028 1.00 0.00 O ATOM 852 CB ILE A 56 4.729 6.307 1.054 1.00 0.00 C ATOM 853 CG1 ILE A 56 5.713 5.563 0.148 1.00 0.00 C ATOM 854 CG2 ILE A 56 4.817 7.809 0.801 1.00 0.00 C ATOM 855 CD1 ILE A 56 5.764 4.072 0.398 1.00 0.00 C ATOM 0 H ILE A 56 3.267 4.805 2.709 1.00 0.00 H new ATOM 0 HA ILE A 56 6.063 5.746 2.651 1.00 0.00 H new ATOM 0 HB ILE A 56 3.715 5.983 0.820 1.00 0.00 H new ATOM 0 HG12 ILE A 56 5.439 5.739 -0.892 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.710 5.980 0.290 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.621 8.013 -0.252 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.078 8.325 1.414 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.815 8.164 1.059 1.00 0.00 H new ATOM 0 HD11 ILE A 56 6.483 3.614 -0.281 1.00 0.00 H new ATOM 0 HD12 ILE A 56 6.068 3.886 1.428 1.00 0.00 H new ATOM 0 HD13 ILE A 56 4.778 3.641 0.228 1.00 0.00 H new ATOM 867 N LYS A 57 3.363 7.477 3.488 1.00 0.00 N ATOM 868 CA LYS A 57 2.883 8.594 4.290 1.00 0.00 C ATOM 869 C LYS A 57 2.967 8.271 5.779 1.00 0.00 C ATOM 870 O LYS A 57 3.199 7.125 6.164 1.00 0.00 O ATOM 871 CB LYS A 57 1.443 8.928 3.902 1.00 0.00 C ATOM 872 CG LYS A 57 1.221 10.397 3.580 1.00 0.00 C ATOM 873 CD LYS A 57 2.175 10.881 2.499 1.00 0.00 C ATOM 874 CE LYS A 57 1.701 12.188 1.884 1.00 0.00 C ATOM 875 NZ LYS A 57 2.787 12.873 1.129 1.00 0.00 N ATOM 0 H LYS A 57 2.630 6.970 2.992 1.00 0.00 H new ATOM 0 HA LYS A 57 3.517 9.459 4.095 1.00 0.00 H new ATOM 0 HB2 LYS A 57 1.161 8.329 3.036 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.780 8.640 4.718 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.192 10.547 3.253 1.00 0.00 H new ATOM 0 HG3 LYS A 57 1.359 10.993 4.482 1.00 0.00 H new ATOM 0 HD2 LYS A 57 3.170 11.017 2.924 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.261 10.122 1.722 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.862 11.992 1.216 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.334 12.847 2.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.423 13.760 0.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.577 13.084 1.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.120 12.255 0.362 1.00 0.00 H new ATOM 889 N ARG A 58 2.776 9.288 6.612 1.00 0.00 N ATOM 890 CA ARG A 58 2.830 9.112 8.059 1.00 0.00 C ATOM 891 C ARG A 58 1.439 8.833 8.625 1.00 0.00 C ATOM 892 O ARG A 58 0.430 9.089 7.968 1.00 0.00 O ATOM 893 CB ARG A 58 3.424 10.356 8.724 1.00 0.00 C ATOM 894 CG ARG A 58 4.934 10.298 8.884 1.00 0.00 C ATOM 895 CD ARG A 58 5.638 10.292 7.537 1.00 0.00 C ATOM 896 NE ARG A 58 6.872 11.074 7.560 1.00 0.00 N ATOM 897 CZ ARG A 58 7.554 11.415 6.469 1.00 0.00 C ATOM 898 NH1 ARG A 58 7.127 11.045 5.268 1.00 0.00 N ATOM 899 NH2 ARG A 58 8.667 12.128 6.579 1.00 0.00 N ATOM 0 H ARG A 58 2.582 10.243 6.310 1.00 0.00 H new ATOM 0 HA ARG A 58 3.469 8.255 8.272 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.163 11.234 8.132 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.968 10.486 9.705 1.00 0.00 H new ATOM 0 HG2 ARG A 58 5.272 11.154 9.468 1.00 0.00 H new ATOM 0 HG3 ARG A 58 5.207 9.403 9.442 1.00 0.00 H new ATOM 0 HD2 ARG A 58 5.865 9.265 7.251 1.00 0.00 H new ATOM 0 HD3 ARG A 58 4.969 10.694 6.776 1.00 0.00 H new ATOM 0 HE ARG A 58 7.232 11.376 8.465 1.00 0.00 H new ATOM 0 HH11 ARG A 58 6.272 10.496 5.177 1.00 0.00 H new ATOM 0 HH12 ARG A 58 7.654 11.309 4.436 1.00 0.00 H new ATOM 0 HH21 ARG A 58 9.000 12.415 7.499 1.00 0.00 H new ATOM 0 HH22 ARG A 58 9.190 12.389 5.743 1.00 0.00 H new ATOM 913 N PRO A 59 1.368 8.303 9.858 1.00 0.00 N ATOM 914 CA PRO A 59 0.091 7.991 10.510 1.00 0.00 C ATOM 915 C PRO A 59 -0.715 9.245 10.829 1.00 0.00 C ATOM 916 O PRO A 59 -0.189 10.210 11.383 1.00 0.00 O ATOM 917 CB PRO A 59 0.509 7.281 11.801 1.00 0.00 C ATOM 918 CG PRO A 59 1.898 7.749 12.063 1.00 0.00 C ATOM 919 CD PRO A 59 2.521 7.968 10.713 1.00 0.00 C ATOM 0 HA PRO A 59 -0.555 7.390 9.871 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -0.156 7.537 12.626 1.00 0.00 H new ATOM 0 HB3 PRO A 59 0.472 6.198 11.686 1.00 0.00 H new ATOM 0 HG2 PRO A 59 1.896 8.670 12.646 1.00 0.00 H new ATOM 0 HG3 PRO A 59 2.458 7.010 12.636 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.254 8.775 10.734 1.00 0.00 H new ATOM 0 HD3 PRO A 59 3.039 7.076 10.359 1.00 0.00 H new ATOM 927 N GLY A 60 -1.994 9.225 10.471 1.00 0.00 N ATOM 928 CA GLY A 60 -2.855 10.366 10.723 1.00 0.00 C ATOM 929 C GLY A 60 -2.881 11.348 9.565 1.00 0.00 C ATOM 930 O GLY A 60 -3.788 12.174 9.465 1.00 0.00 O ATOM 0 H GLY A 60 -2.451 8.438 10.010 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -3.868 10.015 10.919 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.516 10.880 11.622 1.00 0.00 H new ATOM 934 N ALA A 61 -1.883 11.261 8.689 1.00 0.00 N ATOM 935 CA ALA A 61 -1.795 12.150 7.535 1.00 0.00 C ATOM 936 C ALA A 61 -3.058 12.078 6.683 1.00 0.00 C ATOM 937 O ALA A 61 -3.662 11.015 6.538 1.00 0.00 O ATOM 938 CB ALA A 61 -0.572 11.807 6.699 1.00 0.00 C ATOM 0 H ALA A 61 -1.124 10.583 8.757 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.698 13.171 7.903 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.518 12.477 5.841 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.327 11.920 7.305 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.647 10.777 6.350 1.00 0.00 H new ATOM 944 N VAL A 62 -3.448 13.215 6.117 1.00 0.00 N ATOM 945 CA VAL A 62 -4.637 13.280 5.275 1.00 0.00 C ATOM 946 C VAL A 62 -4.349 12.733 3.881 1.00 0.00 C ATOM 947 O VAL A 62 -3.386 13.139 3.230 1.00 0.00 O ATOM 948 CB VAL A 62 -5.165 14.723 5.152 1.00 0.00 C ATOM 949 CG1 VAL A 62 -5.600 15.250 6.510 1.00 0.00 C ATOM 950 CG2 VAL A 62 -4.113 15.631 4.532 1.00 0.00 C ATOM 0 H VAL A 62 -2.959 14.103 6.226 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.399 12.666 5.755 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.034 14.715 4.494 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.970 16.270 6.403 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.392 14.617 6.909 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.750 15.242 7.193 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.507 16.644 4.455 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.221 15.635 5.159 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.856 15.265 3.538 1.00 0.00 H new ATOM 960 N LEU A 63 -5.188 11.808 3.428 1.00 0.00 N ATOM 961 CA LEU A 63 -5.021 11.205 2.111 1.00 0.00 C ATOM 962 C LEU A 63 -5.638 12.083 1.028 1.00 0.00 C ATOM 963 O LEU A 63 -6.660 12.733 1.249 1.00 0.00 O ATOM 964 CB LEU A 63 -5.656 9.813 2.080 1.00 0.00 C ATOM 965 CG LEU A 63 -5.415 8.962 3.328 1.00 0.00 C ATOM 966 CD1 LEU A 63 -6.007 7.573 3.149 1.00 0.00 C ATOM 967 CD2 LEU A 63 -3.928 8.874 3.634 1.00 0.00 C ATOM 0 H LEU A 63 -5.990 11.460 3.953 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.953 11.114 1.914 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.731 9.924 1.937 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.273 9.275 1.213 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.912 9.440 4.172 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.826 6.982 4.047 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -7.081 7.654 2.978 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.540 7.086 2.293 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.775 8.265 4.525 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.409 8.419 2.790 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.532 9.875 3.807 1.00 0.00 H new ATOM 979 N GLU A 64 -5.010 12.096 -0.143 1.00 0.00 N ATOM 980 CA GLU A 64 -5.497 12.894 -1.263 1.00 0.00 C ATOM 981 C GLU A 64 -5.743 12.017 -2.487 1.00 0.00 C ATOM 982 O GLU A 64 -5.037 11.034 -2.710 1.00 0.00 O ATOM 983 CB GLU A 64 -4.493 13.997 -1.605 1.00 0.00 C ATOM 984 CG GLU A 64 -3.969 14.741 -0.388 1.00 0.00 C ATOM 985 CD GLU A 64 -5.063 15.469 0.367 1.00 0.00 C ATOM 986 OE1 GLU A 64 -5.628 16.434 -0.191 1.00 0.00 O ATOM 987 OE2 GLU A 64 -5.357 15.076 1.515 1.00 0.00 O ATOM 0 H GLU A 64 -4.163 11.563 -0.341 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.442 13.351 -0.969 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.652 13.558 -2.142 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.965 14.710 -2.281 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.479 14.034 0.282 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.212 15.458 -0.704 1.00 0.00 H new ATOM 994 N ALA A 65 -6.747 12.381 -3.277 1.00 0.00 N ATOM 995 CA ALA A 65 -7.086 11.628 -4.478 1.00 0.00 C ATOM 996 C ALA A 65 -5.926 11.623 -5.467 1.00 0.00 C ATOM 997 O ALA A 65 -5.742 12.573 -6.228 1.00 0.00 O ATOM 998 CB ALA A 65 -8.334 12.204 -5.128 1.00 0.00 C ATOM 0 H ALA A 65 -7.340 13.193 -3.107 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.286 10.597 -4.186 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.575 11.632 -6.024 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.167 12.150 -4.427 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.156 13.244 -5.400 1.00 0.00 H new ATOM 1004 N GLY A 66 -5.145 10.547 -5.451 1.00 0.00 N ATOM 1005 CA GLY A 66 -4.011 10.439 -6.351 1.00 0.00 C ATOM 1006 C GLY A 66 -2.688 10.354 -5.615 1.00 0.00 C ATOM 1007 O GLY A 66 -1.709 9.830 -6.146 1.00 0.00 O ATOM 0 H GLY A 66 -5.277 9.748 -4.831 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.132 9.555 -6.977 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.997 11.302 -7.017 1.00 0.00 H new ATOM 1011 N CYS A 67 -2.657 10.871 -4.390 1.00 0.00 N ATOM 1012 CA CYS A 67 -1.443 10.851 -3.583 1.00 0.00 C ATOM 1013 C CYS A 67 -1.041 9.420 -3.239 1.00 0.00 C ATOM 1014 O CYS A 67 -1.894 8.553 -3.051 1.00 0.00 O ATOM 1015 CB CYS A 67 -1.645 11.658 -2.300 1.00 0.00 C ATOM 1016 SG CYS A 67 -0.184 11.734 -1.237 1.00 0.00 S ATOM 0 H CYS A 67 -3.459 11.308 -3.936 1.00 0.00 H new ATOM 0 HA CYS A 67 -0.642 11.304 -4.167 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -1.941 12.673 -2.565 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -2.469 11.222 -1.736 1.00 0.00 H new ATOM 0 HG CYS A 67 -0.185 12.854 -0.577 1.00 0.00 H new ATOM 1022 N VAL A 68 0.264 9.181 -3.159 1.00 0.00 N ATOM 1023 CA VAL A 68 0.780 7.856 -2.838 1.00 0.00 C ATOM 1024 C VAL A 68 0.756 7.605 -1.334 1.00 0.00 C ATOM 1025 O VAL A 68 1.580 8.139 -0.592 1.00 0.00 O ATOM 1026 CB VAL A 68 2.219 7.673 -3.357 1.00 0.00 C ATOM 1027 CG1 VAL A 68 2.681 6.237 -3.158 1.00 0.00 C ATOM 1028 CG2 VAL A 68 2.311 8.073 -4.821 1.00 0.00 C ATOM 0 H VAL A 68 0.983 9.888 -3.312 1.00 0.00 H new ATOM 0 HA VAL A 68 0.129 7.135 -3.333 1.00 0.00 H new ATOM 0 HB VAL A 68 2.879 8.324 -2.783 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.699 6.127 -3.531 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.654 5.990 -2.097 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.021 5.563 -3.704 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.334 7.938 -5.172 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.640 7.450 -5.411 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.025 9.119 -4.931 1.00 0.00 H new ATOM 1038 N VAL A 69 -0.196 6.791 -0.893 1.00 0.00 N ATOM 1039 CA VAL A 69 -0.332 6.467 0.522 1.00 0.00 C ATOM 1040 C VAL A 69 0.628 5.353 0.934 1.00 0.00 C ATOM 1041 O VAL A 69 0.911 5.177 2.119 1.00 0.00 O ATOM 1042 CB VAL A 69 -1.772 6.038 0.864 1.00 0.00 C ATOM 1043 CG1 VAL A 69 -1.948 5.913 2.369 1.00 0.00 C ATOM 1044 CG2 VAL A 69 -2.778 7.020 0.278 1.00 0.00 C ATOM 0 H VAL A 69 -0.886 6.343 -1.496 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.087 7.374 1.075 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.956 5.060 0.419 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -2.971 5.609 2.592 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.255 5.166 2.756 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.744 6.875 2.840 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.789 6.700 0.530 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.599 8.013 0.689 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.667 7.051 -0.806 1.00 0.00 H new ATOM 1054 N ALA A 70 1.124 4.601 -0.045 1.00 0.00 N ATOM 1055 CA ALA A 70 2.047 3.507 0.230 1.00 0.00 C ATOM 1056 C ALA A 70 2.734 3.025 -1.046 1.00 0.00 C ATOM 1057 O ALA A 70 2.726 3.716 -2.065 1.00 0.00 O ATOM 1058 CB ALA A 70 1.309 2.358 0.903 1.00 0.00 C ATOM 0 H ALA A 70 0.902 4.730 -1.032 1.00 0.00 H new ATOM 0 HA ALA A 70 2.820 3.877 0.903 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.007 1.545 1.104 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.875 2.704 1.841 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.516 2.001 0.246 1.00 0.00 H new ATOM 1064 N ARG A 71 3.329 1.837 -0.981 1.00 0.00 N ATOM 1065 CA ARG A 71 4.023 1.262 -2.128 1.00 0.00 C ATOM 1066 C ARG A 71 3.741 -0.234 -2.237 1.00 0.00 C ATOM 1067 O ARG A 71 2.952 -0.784 -1.468 1.00 0.00 O ATOM 1068 CB ARG A 71 5.529 1.497 -2.010 1.00 0.00 C ATOM 1069 CG ARG A 71 6.030 2.677 -2.820 1.00 0.00 C ATOM 1070 CD ARG A 71 6.794 2.208 -4.043 1.00 0.00 C ATOM 1071 NE ARG A 71 6.425 2.952 -5.234 1.00 0.00 N ATOM 1072 CZ ARG A 71 6.984 4.105 -5.599 1.00 0.00 C ATOM 1073 NH1 ARG A 71 7.928 4.661 -4.850 1.00 0.00 N ATOM 1074 NH2 ARG A 71 6.596 4.705 -6.716 1.00 0.00 N ATOM 0 H ARG A 71 3.344 1.254 -0.145 1.00 0.00 H new ATOM 0 HA ARG A 71 3.654 1.753 -3.028 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.782 1.655 -0.961 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.054 0.598 -2.333 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.187 3.296 -3.128 1.00 0.00 H new ATOM 0 HG3 ARG A 71 6.674 3.301 -2.201 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.864 2.316 -3.865 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.603 1.147 -4.205 1.00 0.00 H new ATOM 0 HE ARG A 71 5.691 2.568 -5.829 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.230 4.205 -3.989 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.352 5.544 -5.136 1.00 0.00 H new ATOM 0 HH21 ARG A 71 5.870 4.284 -7.295 1.00 0.00 H new ATOM 0 HH22 ARG A 71 7.024 5.588 -6.996 1.00 0.00 H new ATOM 1088 N LEU A 72 4.389 -0.886 -3.197 1.00 0.00 N ATOM 1089 CA LEU A 72 4.207 -2.317 -3.405 1.00 0.00 C ATOM 1090 C LEU A 72 5.514 -2.978 -3.835 1.00 0.00 C ATOM 1091 O LEU A 72 6.118 -2.591 -4.833 1.00 0.00 O ATOM 1092 CB LEU A 72 3.130 -2.562 -4.463 1.00 0.00 C ATOM 1093 CG LEU A 72 1.879 -3.281 -3.959 1.00 0.00 C ATOM 1094 CD1 LEU A 72 2.196 -4.729 -3.620 1.00 0.00 C ATOM 1095 CD2 LEU A 72 1.301 -2.562 -2.749 1.00 0.00 C ATOM 0 H LEU A 72 5.045 -0.446 -3.843 1.00 0.00 H new ATOM 0 HA LEU A 72 3.892 -2.759 -2.460 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.833 -1.602 -4.886 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.565 -3.147 -5.273 1.00 0.00 H new ATOM 0 HG LEU A 72 1.132 -3.270 -4.753 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.294 -5.225 -3.263 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.562 -5.239 -4.511 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.960 -4.762 -2.843 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.411 -3.088 -2.404 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.042 -2.540 -1.950 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.035 -1.542 -3.025 1.00 0.00 H new