USER MOD reduce.3.24.130724 H: found=0, std=0, add=525, rem=0, adj=16 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 -27:sc= 0.0243 USER MOD Single : A 10 SER OG : rot -105:sc= 0.336 USER MOD Single : A 12 SER OG : rot 1:sc= 0.244 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 157:sc= 0.786 USER MOD Single : A 26 HIS : no HD1:sc= -0.739 X(o=-0.74,f=-0.78) USER MOD Single : A 31 SER OG : rot -169:sc= -0.347 USER MOD Single : A 32 SER OG : rot 180:sc= 0.0758 USER MOD Single : A 33 TYR OH : rot -11:sc= -2.61 USER MOD Single : A 36 MET CE :methyl -156:sc= -0.149 (180deg=-1.47) 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 :FLIP amide:sc= -0.344 F(o=-2,f=-0.34) USER MOD Single : A 48 GLN :FLIP amide:sc= -1.91 F(o=-3.8,f=-1.9) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 8:sc= -4.96! USER MOD Single : A 57 LYS NZ :NH3+ -178:sc= -0.966 (180deg=-0.973) USER MOD Single : A 67 CYS SG : rot 180:sc= -0.0485 USER MOD ----------------------------------------------------------------- ATOM 75 N THR A 6 3.784 -1.745 -7.901 1.00 0.00 N ATOM 76 CA THR A 6 4.415 -1.849 -6.590 1.00 0.00 C ATOM 77 C THR A 6 4.303 -0.535 -5.818 1.00 0.00 C ATOM 78 O THR A 6 5.262 -0.095 -5.184 1.00 0.00 O ATOM 79 CB THR A 6 5.886 -2.240 -6.742 1.00 0.00 C ATOM 80 OG1 THR A 6 6.610 -1.218 -7.403 1.00 0.00 O ATOM 81 CG2 THR A 6 6.086 -3.521 -7.522 1.00 0.00 C ATOM 0 HA THR A 6 3.893 -2.622 -6.026 1.00 0.00 H new ATOM 0 HB THR A 6 6.252 -2.390 -5.726 1.00 0.00 H new ATOM 0 HG1 THR A 6 6.006 -0.717 -7.990 1.00 0.00 H new ATOM 0 HG21 THR A 6 7.151 -3.741 -7.593 1.00 0.00 H new ATOM 0 HG22 THR A 6 5.579 -4.340 -7.012 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.672 -3.406 -8.524 1.00 0.00 H new ATOM 89 N VAL A 7 3.129 0.086 -5.874 1.00 0.00 N ATOM 90 CA VAL A 7 2.900 1.347 -5.178 1.00 0.00 C ATOM 91 C VAL A 7 1.446 1.476 -4.740 1.00 0.00 C ATOM 92 O VAL A 7 0.532 1.429 -5.563 1.00 0.00 O ATOM 93 CB VAL A 7 3.262 2.554 -6.062 1.00 0.00 C ATOM 94 CG1 VAL A 7 3.278 3.834 -5.240 1.00 0.00 C ATOM 95 CG2 VAL A 7 4.602 2.335 -6.748 1.00 0.00 C ATOM 0 H VAL A 7 2.323 -0.263 -6.393 1.00 0.00 H new ATOM 0 HA VAL A 7 3.546 1.342 -4.300 1.00 0.00 H new ATOM 0 HB VAL A 7 2.499 2.655 -6.834 1.00 0.00 H new ATOM 0 HG11 VAL A 7 3.536 4.676 -5.883 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.293 3.999 -4.804 1.00 0.00 H new ATOM 0 HG13 VAL A 7 4.017 3.746 -4.444 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.839 3.200 -7.368 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.379 2.204 -5.995 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.549 1.444 -7.373 1.00 0.00 H new ATOM 105 N LEU A 8 1.239 1.640 -3.439 1.00 0.00 N ATOM 106 CA LEU A 8 -0.105 1.779 -2.891 1.00 0.00 C ATOM 107 C LEU A 8 -0.531 3.244 -2.863 1.00 0.00 C ATOM 108 O LEU A 8 0.272 4.128 -2.566 1.00 0.00 O ATOM 109 CB LEU A 8 -0.170 1.185 -1.481 1.00 0.00 C ATOM 110 CG LEU A 8 -1.428 0.368 -1.179 1.00 0.00 C ATOM 111 CD1 LEU A 8 -2.678 1.175 -1.489 1.00 0.00 C ATOM 112 CD2 LEU A 8 -1.420 -0.931 -1.971 1.00 0.00 C ATOM 0 H LEU A 8 1.984 1.680 -2.744 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.793 1.233 -3.536 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.702 0.549 -1.331 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.101 1.997 -0.758 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.434 0.125 -0.117 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.562 0.576 -1.268 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.689 2.078 -0.878 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.681 1.450 -2.544 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.321 -1.501 -1.745 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.390 -0.707 -3.037 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.542 -1.518 -1.699 1.00 0.00 H new ATOM 124 N ARG A 9 -1.799 3.494 -3.173 1.00 0.00 N ATOM 125 CA ARG A 9 -2.330 4.852 -3.182 1.00 0.00 C ATOM 126 C ARG A 9 -3.815 4.858 -2.838 1.00 0.00 C ATOM 127 O ARG A 9 -4.580 4.029 -3.330 1.00 0.00 O ATOM 128 CB ARG A 9 -2.108 5.499 -4.550 1.00 0.00 C ATOM 129 CG ARG A 9 -0.727 6.114 -4.716 1.00 0.00 C ATOM 130 CD ARG A 9 -0.536 6.693 -6.109 1.00 0.00 C ATOM 131 NE ARG A 9 0.663 6.170 -6.761 1.00 0.00 N ATOM 132 CZ ARG A 9 0.717 4.993 -7.381 1.00 0.00 C ATOM 133 NH1 ARG A 9 -0.353 4.210 -7.430 1.00 0.00 N ATOM 134 NH2 ARG A 9 1.847 4.598 -7.953 1.00 0.00 N ATOM 0 H ARG A 9 -2.478 2.774 -3.421 1.00 0.00 H new ATOM 0 HA ARG A 9 -1.799 5.428 -2.425 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.258 4.749 -5.326 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.861 6.272 -4.704 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -0.586 6.899 -3.973 1.00 0.00 H new ATOM 0 HG3 ARG A 9 0.034 5.357 -4.529 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -1.409 6.464 -6.719 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.469 7.779 -6.044 1.00 0.00 H new ATOM 0 HE ARG A 9 1.508 6.740 -6.740 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -1.224 4.509 -6.991 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -0.305 3.310 -7.907 1.00 0.00 H new ATOM 0 HH21 ARG A 9 2.673 5.196 -7.917 1.00 0.00 H new ATOM 0 HH22 ARG A 9 1.890 3.697 -8.428 1.00 0.00 H new ATOM 148 N SER A 10 -4.216 5.799 -1.989 1.00 0.00 N ATOM 149 CA SER A 10 -5.611 5.912 -1.577 1.00 0.00 C ATOM 150 C SER A 10 -6.489 6.359 -2.744 1.00 0.00 C ATOM 151 O SER A 10 -6.053 7.127 -3.602 1.00 0.00 O ATOM 152 CB SER A 10 -5.742 6.900 -0.417 1.00 0.00 C ATOM 153 OG SER A 10 -7.103 7.155 -0.116 1.00 0.00 O ATOM 0 H SER A 10 -3.596 6.494 -1.573 1.00 0.00 H new ATOM 0 HA SER A 10 -5.948 4.929 -1.248 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.240 6.500 0.464 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.242 7.834 -0.672 1.00 0.00 H new ATOM 0 HG SER A 10 -7.353 8.040 -0.455 1.00 0.00 H new ATOM 159 N PRO A 11 -7.745 5.882 -2.791 1.00 0.00 N ATOM 160 CA PRO A 11 -8.685 6.237 -3.859 1.00 0.00 C ATOM 161 C PRO A 11 -9.204 7.665 -3.727 1.00 0.00 C ATOM 162 O PRO A 11 -9.588 8.290 -4.715 1.00 0.00 O ATOM 163 CB PRO A 11 -9.824 5.235 -3.671 1.00 0.00 C ATOM 164 CG PRO A 11 -9.794 4.901 -2.221 1.00 0.00 C ATOM 165 CD PRO A 11 -8.348 4.961 -1.808 1.00 0.00 C ATOM 0 HA PRO A 11 -8.219 6.196 -4.843 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.783 5.666 -3.959 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -9.676 4.347 -4.286 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -10.393 5.607 -1.646 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -10.210 3.910 -2.041 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -8.237 5.333 -0.789 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -7.880 3.977 -1.841 1.00 0.00 H new ATOM 173 N SER A 12 -9.213 8.175 -2.499 1.00 0.00 N ATOM 174 CA SER A 12 -9.687 9.530 -2.239 1.00 0.00 C ATOM 175 C SER A 12 -9.024 10.108 -0.993 1.00 0.00 C ATOM 176 O SER A 12 -8.305 9.410 -0.278 1.00 0.00 O ATOM 177 CB SER A 12 -11.207 9.538 -2.073 1.00 0.00 C ATOM 178 OG SER A 12 -11.854 9.163 -3.277 1.00 0.00 O ATOM 0 H SER A 12 -8.898 7.671 -1.670 1.00 0.00 H new ATOM 0 HA SER A 12 -9.419 10.152 -3.093 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.492 8.853 -1.275 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.538 10.532 -1.773 1.00 0.00 H new ATOM 0 HG SER A 12 -11.181 8.963 -3.961 1.00 0.00 H new ATOM 184 N ALA A 13 -9.272 11.389 -0.739 1.00 0.00 N ATOM 185 CA ALA A 13 -8.700 12.064 0.420 1.00 0.00 C ATOM 186 C ALA A 13 -9.426 11.668 1.702 1.00 0.00 C ATOM 187 O ALA A 13 -10.636 11.860 1.827 1.00 0.00 O ATOM 188 CB ALA A 13 -8.749 13.572 0.229 1.00 0.00 C ATOM 0 H ALA A 13 -9.866 11.980 -1.321 1.00 0.00 H new ATOM 0 HA ALA A 13 -7.659 11.753 0.513 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -8.319 14.063 1.102 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.179 13.845 -0.659 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -9.784 13.890 0.107 1.00 0.00 H new ATOM 194 N GLY A 14 -8.679 11.116 2.652 1.00 0.00 N ATOM 195 CA GLY A 14 -9.266 10.703 3.913 1.00 0.00 C ATOM 196 C GLY A 14 -8.356 10.980 5.094 1.00 0.00 C ATOM 197 O GLY A 14 -7.829 12.084 5.234 1.00 0.00 O ATOM 0 H GLY A 14 -7.676 10.947 2.571 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.213 11.224 4.058 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -9.491 9.637 3.874 1.00 0.00 H new ATOM 201 N LYS A 15 -8.172 9.976 5.944 1.00 0.00 N ATOM 202 CA LYS A 15 -7.318 10.116 7.119 1.00 0.00 C ATOM 203 C LYS A 15 -6.927 8.750 7.671 1.00 0.00 C ATOM 204 O LYS A 15 -7.753 7.841 7.747 1.00 0.00 O ATOM 205 CB LYS A 15 -8.031 10.931 8.200 1.00 0.00 C ATOM 206 CG LYS A 15 -7.131 11.315 9.363 1.00 0.00 C ATOM 207 CD LYS A 15 -7.303 10.366 10.538 1.00 0.00 C ATOM 208 CE LYS A 15 -7.036 11.064 11.861 1.00 0.00 C ATOM 209 NZ LYS A 15 -6.644 10.102 12.928 1.00 0.00 N ATOM 0 H LYS A 15 -8.602 9.057 5.842 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.411 10.640 6.818 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.438 11.837 7.751 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.876 10.356 8.579 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.091 11.308 9.037 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.359 12.333 9.680 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.316 9.963 10.536 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.623 9.521 10.427 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.245 11.802 11.729 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -7.929 11.607 12.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.471 10.618 13.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.409 9.413 13.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.778 9.602 12.643 1.00 0.00 H new ATOM 223 N LEU A 16 -5.663 8.613 8.057 1.00 0.00 N ATOM 224 CA LEU A 16 -5.162 7.356 8.603 1.00 0.00 C ATOM 225 C LEU A 16 -5.787 7.069 9.965 1.00 0.00 C ATOM 226 O LEU A 16 -5.355 7.610 10.983 1.00 0.00 O ATOM 227 CB LEU A 16 -3.638 7.406 8.730 1.00 0.00 C ATOM 228 CG LEU A 16 -2.948 6.044 8.827 1.00 0.00 C ATOM 229 CD1 LEU A 16 -3.389 5.139 7.686 1.00 0.00 C ATOM 230 CD2 LEU A 16 -1.436 6.212 8.821 1.00 0.00 C ATOM 0 H LEU A 16 -4.967 9.356 8.002 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.438 6.553 7.919 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.235 7.939 7.869 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.382 7.989 9.615 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.239 5.577 9.768 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -2.888 4.175 7.772 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.468 4.993 7.734 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.127 5.600 6.734 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.961 5.233 8.891 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.128 6.700 7.896 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.134 6.823 9.672 1.00 0.00 H new ATOM 242 N THR A 17 -6.807 6.217 9.976 1.00 0.00 N ATOM 243 CA THR A 17 -7.491 5.862 11.215 1.00 0.00 C ATOM 244 C THR A 17 -6.660 4.885 12.044 1.00 0.00 C ATOM 245 O THR A 17 -6.541 5.036 13.260 1.00 0.00 O ATOM 246 CB THR A 17 -8.865 5.258 10.912 1.00 0.00 C ATOM 247 OG1 THR A 17 -9.618 5.106 12.102 1.00 0.00 O ATOM 248 CG2 THR A 17 -8.793 3.905 10.239 1.00 0.00 C ATOM 0 H THR A 17 -7.178 5.760 9.143 1.00 0.00 H new ATOM 0 HA THR A 17 -7.624 6.774 11.797 1.00 0.00 H new ATOM 0 HB THR A 17 -9.342 5.959 10.227 1.00 0.00 H new ATOM 0 HG1 THR A 17 -10.493 4.720 11.888 1.00 0.00 H new ATOM 0 HG21 THR A 17 -9.802 3.537 10.054 1.00 0.00 H new ATOM 0 HG22 THR A 17 -8.261 3.997 9.292 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.264 3.205 10.885 1.00 0.00 H new ATOM 256 N GLN A 18 -6.091 3.881 11.382 1.00 0.00 N ATOM 257 CA GLN A 18 -5.278 2.882 12.066 1.00 0.00 C ATOM 258 C GLN A 18 -4.487 2.041 11.064 1.00 0.00 C ATOM 259 O GLN A 18 -4.280 2.455 9.923 1.00 0.00 O ATOM 260 CB GLN A 18 -6.169 1.982 12.929 1.00 0.00 C ATOM 261 CG GLN A 18 -5.622 1.748 14.328 1.00 0.00 C ATOM 262 CD GLN A 18 -6.502 2.347 15.408 1.00 0.00 C ATOM 263 OE1 GLN A 18 -7.702 2.079 15.467 1.00 0.00 O ATOM 264 NE2 GLN A 18 -5.908 3.165 16.269 1.00 0.00 N ATOM 0 H GLN A 18 -6.178 3.739 10.376 1.00 0.00 H new ATOM 0 HA GLN A 18 -4.566 3.400 12.709 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -7.159 2.431 13.005 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.292 1.021 12.430 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -5.521 0.676 14.500 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.623 2.177 14.400 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -4.910 3.359 16.183 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -6.449 3.599 17.017 1.00 0.00 H new ATOM 273 N TYR A 19 -4.046 0.861 11.496 1.00 0.00 N ATOM 274 CA TYR A 19 -3.278 -0.031 10.634 1.00 0.00 C ATOM 275 C TYR A 19 -3.519 -1.490 11.008 1.00 0.00 C ATOM 276 O TYR A 19 -3.603 -1.834 12.187 1.00 0.00 O ATOM 277 CB TYR A 19 -1.786 0.292 10.731 1.00 0.00 C ATOM 278 CG TYR A 19 -1.237 0.204 12.137 1.00 0.00 C ATOM 279 CD1 TYR A 19 -0.918 -1.024 12.703 1.00 0.00 C ATOM 280 CD2 TYR A 19 -1.036 1.349 12.897 1.00 0.00 C ATOM 281 CE1 TYR A 19 -0.415 -1.109 13.987 1.00 0.00 C ATOM 282 CE2 TYR A 19 -0.533 1.272 14.182 1.00 0.00 C ATOM 283 CZ TYR A 19 -0.225 0.042 14.723 1.00 0.00 C ATOM 284 OH TYR A 19 0.276 -0.038 16.002 1.00 0.00 O ATOM 0 H TYR A 19 -4.208 0.502 12.437 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.610 0.122 9.607 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.232 -0.394 10.090 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.615 1.297 10.345 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.066 -1.927 12.130 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.277 2.315 12.477 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -0.172 -2.072 14.412 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.382 2.172 14.760 1.00 0.00 H new ATOM 0 HH TYR A 19 0.350 0.863 16.381 1.00 0.00 H new ATOM 294 N THR A 20 -3.635 -2.343 9.995 1.00 0.00 N ATOM 295 CA THR A 20 -3.872 -3.766 10.213 1.00 0.00 C ATOM 296 C THR A 20 -2.567 -4.561 10.187 1.00 0.00 C ATOM 297 O THR A 20 -2.533 -5.722 10.595 1.00 0.00 O ATOM 298 CB THR A 20 -4.832 -4.311 9.154 1.00 0.00 C ATOM 299 OG1 THR A 20 -4.158 -4.519 7.926 1.00 0.00 O ATOM 300 CG2 THR A 20 -6.008 -3.398 8.883 1.00 0.00 C ATOM 0 H THR A 20 -3.569 -2.073 9.014 1.00 0.00 H new ATOM 0 HA THR A 20 -4.319 -3.880 11.201 1.00 0.00 H new ATOM 0 HB THR A 20 -5.209 -5.249 9.562 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.647 -5.179 7.392 1.00 0.00 H new ATOM 0 HG21 THR A 20 -6.648 -3.845 8.122 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.579 -3.258 9.801 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.645 -2.433 8.530 1.00 0.00 H new ATOM 308 N VAL A 21 -1.495 -3.937 9.703 1.00 0.00 N ATOM 309 CA VAL A 21 -0.200 -4.601 9.628 1.00 0.00 C ATOM 310 C VAL A 21 0.944 -3.605 9.783 1.00 0.00 C ATOM 311 O VAL A 21 0.861 -2.469 9.316 1.00 0.00 O ATOM 312 CB VAL A 21 -0.031 -5.355 8.296 1.00 0.00 C ATOM 313 CG1 VAL A 21 -1.047 -6.482 8.188 1.00 0.00 C ATOM 314 CG2 VAL A 21 -0.156 -4.398 7.119 1.00 0.00 C ATOM 0 H VAL A 21 -1.499 -2.977 9.359 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.167 -5.316 10.450 1.00 0.00 H new ATOM 0 HB VAL A 21 0.967 -5.793 8.272 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.912 -7.004 7.240 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.903 -7.182 9.011 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.055 -6.069 8.235 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.034 -4.950 6.187 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.139 -3.927 7.136 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.615 -3.631 7.190 1.00 0.00 H new ATOM 324 N GLU A 22 2.012 -4.041 10.443 1.00 0.00 N ATOM 325 CA GLU A 22 3.178 -3.193 10.664 1.00 0.00 C ATOM 326 C GLU A 22 3.901 -2.908 9.352 1.00 0.00 C ATOM 327 O GLU A 22 3.436 -3.288 8.278 1.00 0.00 O ATOM 328 CB GLU A 22 4.136 -3.860 11.651 1.00 0.00 C ATOM 329 CG GLU A 22 4.718 -5.170 11.143 1.00 0.00 C ATOM 330 CD GLU A 22 4.564 -6.304 12.138 1.00 0.00 C ATOM 331 OE1 GLU A 22 4.746 -6.060 13.349 1.00 0.00 O ATOM 332 OE2 GLU A 22 4.260 -7.436 11.706 1.00 0.00 O ATOM 0 H GLU A 22 2.094 -4.979 10.835 1.00 0.00 H new ATOM 0 HA GLU A 22 2.835 -2.246 11.081 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.951 -3.172 11.874 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.609 -4.045 12.587 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.227 -5.443 10.209 1.00 0.00 H new ATOM 0 HG3 GLU A 22 5.775 -5.030 10.919 1.00 0.00 H new ATOM 339 N ASP A 23 5.044 -2.236 9.448 1.00 0.00 N ATOM 340 CA ASP A 23 5.835 -1.900 8.270 1.00 0.00 C ATOM 341 C ASP A 23 6.257 -3.160 7.522 1.00 0.00 C ATOM 342 O ASP A 23 6.752 -4.114 8.122 1.00 0.00 O ATOM 343 CB ASP A 23 7.072 -1.094 8.673 1.00 0.00 C ATOM 344 CG ASP A 23 7.883 -0.641 7.474 1.00 0.00 C ATOM 345 OD1 ASP A 23 7.276 -0.160 6.495 1.00 0.00 O ATOM 346 OD2 ASP A 23 9.124 -0.769 7.515 1.00 0.00 O ATOM 0 H ASP A 23 5.443 -1.914 10.330 1.00 0.00 H new ATOM 0 HA ASP A 23 5.216 -1.295 7.607 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.762 -0.222 9.249 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.701 -1.700 9.325 1.00 0.00 H new ATOM 351 N GLY A 24 6.056 -3.157 6.209 1.00 0.00 N ATOM 352 CA GLY A 24 6.420 -4.306 5.401 1.00 0.00 C ATOM 353 C GLY A 24 5.566 -5.522 5.703 1.00 0.00 C ATOM 354 O GLY A 24 6.005 -6.658 5.522 1.00 0.00 O ATOM 0 H GLY A 24 5.648 -2.380 5.690 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.322 -4.050 4.346 1.00 0.00 H new ATOM 0 HA3 GLY A 24 7.468 -4.550 5.574 1.00 0.00 H new ATOM 358 N GLY A 25 4.342 -5.284 6.166 1.00 0.00 N ATOM 359 CA GLY A 25 3.445 -6.378 6.486 1.00 0.00 C ATOM 360 C GLY A 25 3.067 -7.195 5.266 1.00 0.00 C ATOM 361 O GLY A 25 2.387 -6.702 4.366 1.00 0.00 O ATOM 0 H GLY A 25 3.956 -4.353 6.325 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.918 -7.028 7.222 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.541 -5.980 6.947 1.00 0.00 H new ATOM 365 N HIS A 26 3.510 -8.448 5.235 1.00 0.00 N ATOM 366 CA HIS A 26 3.215 -9.336 4.116 1.00 0.00 C ATOM 367 C HIS A 26 1.714 -9.569 3.983 1.00 0.00 C ATOM 368 O HIS A 26 1.073 -10.087 4.898 1.00 0.00 O ATOM 369 CB HIS A 26 3.936 -10.673 4.296 1.00 0.00 C ATOM 370 CG HIS A 26 3.655 -11.332 5.610 1.00 0.00 C ATOM 371 ND1 HIS A 26 4.444 -11.152 6.727 1.00 0.00 N ATOM 372 CD2 HIS A 26 2.663 -12.175 5.985 1.00 0.00 C ATOM 373 CE1 HIS A 26 3.950 -11.856 7.730 1.00 0.00 C ATOM 374 NE2 HIS A 26 2.870 -12.485 7.306 1.00 0.00 N ATOM 0 H HIS A 26 4.074 -8.871 5.972 1.00 0.00 H new ATOM 0 HA HIS A 26 3.571 -8.858 3.203 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.642 -11.346 3.491 1.00 0.00 H new ATOM 0 HB3 HIS A 26 5.010 -10.513 4.201 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.859 -12.536 5.361 1.00 0.00 H new ATOM 0 HE1 HIS A 26 4.360 -11.908 8.728 1.00 0.00 H new ATOM 0 HE2 HIS A 26 2.284 -13.102 7.869 1.00 0.00 H new ATOM 383 N VAL A 27 1.158 -9.183 2.839 1.00 0.00 N ATOM 384 CA VAL A 27 -0.268 -9.351 2.586 1.00 0.00 C ATOM 385 C VAL A 27 -0.533 -9.651 1.115 1.00 0.00 C ATOM 386 O VAL A 27 0.058 -9.034 0.229 1.00 0.00 O ATOM 387 CB VAL A 27 -1.064 -8.096 2.991 1.00 0.00 C ATOM 388 CG1 VAL A 27 -1.022 -7.897 4.497 1.00 0.00 C ATOM 389 CG2 VAL A 27 -0.529 -6.869 2.268 1.00 0.00 C ATOM 0 H VAL A 27 1.674 -8.751 2.072 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.598 -10.194 3.193 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.104 -8.238 2.698 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.590 -7.005 4.762 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.458 -8.765 4.991 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.012 -7.777 4.819 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.103 -5.992 2.566 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.519 -6.722 2.528 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.619 -7.013 1.191 1.00 0.00 H new ATOM 399 N GLU A 28 -1.428 -10.601 0.861 1.00 0.00 N ATOM 400 CA GLU A 28 -1.773 -10.979 -0.504 1.00 0.00 C ATOM 401 C GLU A 28 -2.839 -10.047 -1.072 1.00 0.00 C ATOM 402 O GLU A 28 -3.525 -9.348 -0.327 1.00 0.00 O ATOM 403 CB GLU A 28 -2.265 -12.429 -0.547 1.00 0.00 C ATOM 404 CG GLU A 28 -3.630 -12.631 0.093 1.00 0.00 C ATOM 405 CD GLU A 28 -3.605 -13.652 1.214 1.00 0.00 C ATOM 406 OE1 GLU A 28 -3.241 -13.279 2.349 1.00 0.00 O ATOM 407 OE2 GLU A 28 -3.951 -14.824 0.957 1.00 0.00 O ATOM 0 H GLU A 28 -1.927 -11.122 1.582 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.876 -10.892 -1.118 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.308 -12.758 -1.585 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.539 -13.065 -0.041 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -3.989 -11.678 0.483 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.340 -12.951 -0.669 1.00 0.00 H new ATOM 414 N ALA A 29 -2.974 -10.043 -2.395 1.00 0.00 N ATOM 415 CA ALA A 29 -3.960 -9.197 -3.063 1.00 0.00 C ATOM 416 C ALA A 29 -5.328 -9.303 -2.395 1.00 0.00 C ATOM 417 O ALA A 29 -5.861 -10.399 -2.221 1.00 0.00 O ATOM 418 CB ALA A 29 -4.059 -9.566 -4.535 1.00 0.00 C ATOM 0 H ALA A 29 -2.414 -10.616 -3.026 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.627 -8.162 -2.978 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.797 -8.928 -5.021 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.089 -9.426 -5.011 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -4.362 -10.609 -4.629 1.00 0.00 H new ATOM 424 N GLY A 30 -5.893 -8.157 -2.026 1.00 0.00 N ATOM 425 CA GLY A 30 -7.195 -8.147 -1.384 1.00 0.00 C ATOM 426 C GLY A 30 -7.103 -8.044 0.127 1.00 0.00 C ATOM 427 O GLY A 30 -8.047 -7.603 0.782 1.00 0.00 O ATOM 0 H GLY A 30 -5.473 -7.237 -2.160 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.777 -7.309 -1.766 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.733 -9.057 -1.650 1.00 0.00 H new ATOM 431 N SER A 31 -5.966 -8.451 0.684 1.00 0.00 N ATOM 432 CA SER A 31 -5.762 -8.402 2.128 1.00 0.00 C ATOM 433 C SER A 31 -5.596 -6.963 2.605 1.00 0.00 C ATOM 434 O SER A 31 -4.816 -6.196 2.040 1.00 0.00 O ATOM 435 CB SER A 31 -4.535 -9.227 2.522 1.00 0.00 C ATOM 436 OG SER A 31 -4.806 -10.616 2.443 1.00 0.00 O ATOM 0 H SER A 31 -5.173 -8.818 0.158 1.00 0.00 H new ATOM 0 HA SER A 31 -6.644 -8.826 2.608 1.00 0.00 H new ATOM 0 HB2 SER A 31 -3.700 -8.979 1.866 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.231 -8.970 3.537 1.00 0.00 H new ATOM 0 HG SER A 31 -4.074 -11.116 2.861 1.00 0.00 H new ATOM 442 N SER A 32 -6.336 -6.603 3.649 1.00 0.00 N ATOM 443 CA SER A 32 -6.273 -5.256 4.203 1.00 0.00 C ATOM 444 C SER A 32 -4.917 -4.991 4.849 1.00 0.00 C ATOM 445 O SER A 32 -4.406 -5.817 5.606 1.00 0.00 O ATOM 446 CB SER A 32 -7.388 -5.052 5.230 1.00 0.00 C ATOM 447 OG SER A 32 -7.657 -6.250 5.937 1.00 0.00 O ATOM 0 H SER A 32 -6.986 -7.226 4.128 1.00 0.00 H new ATOM 0 HA SER A 32 -6.407 -4.549 3.384 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.101 -4.269 5.932 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.293 -4.713 4.726 1.00 0.00 H new ATOM 0 HG SER A 32 -8.372 -6.092 6.588 1.00 0.00 H new ATOM 453 N TYR A 33 -4.341 -3.832 4.546 1.00 0.00 N ATOM 454 CA TYR A 33 -3.045 -3.453 5.099 1.00 0.00 C ATOM 455 C TYR A 33 -3.172 -2.247 6.031 1.00 0.00 C ATOM 456 O TYR A 33 -2.242 -1.922 6.768 1.00 0.00 O ATOM 457 CB TYR A 33 -2.056 -3.144 3.971 1.00 0.00 C ATOM 458 CG TYR A 33 -2.357 -1.860 3.228 1.00 0.00 C ATOM 459 CD1 TYR A 33 -1.894 -0.639 3.702 1.00 0.00 C ATOM 460 CD2 TYR A 33 -3.102 -1.870 2.056 1.00 0.00 C ATOM 461 CE1 TYR A 33 -2.165 0.536 3.027 1.00 0.00 C ATOM 462 CE2 TYR A 33 -3.377 -0.699 1.376 1.00 0.00 C ATOM 463 CZ TYR A 33 -2.907 0.501 1.866 1.00 0.00 C ATOM 464 OH TYR A 33 -3.179 1.669 1.192 1.00 0.00 O ATOM 0 H TYR A 33 -4.751 -3.139 3.920 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.670 -4.294 5.682 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.051 -3.084 4.388 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.058 -3.972 3.262 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.313 -0.608 4.612 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.472 -2.808 1.670 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.797 1.477 3.407 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.957 -0.724 0.465 1.00 0.00 H new ATOM 0 HH TYR A 33 -2.933 2.435 1.752 1.00 0.00 H new ATOM 474 N ALA A 34 -4.327 -1.586 5.992 1.00 0.00 N ATOM 475 CA ALA A 34 -4.571 -0.420 6.831 1.00 0.00 C ATOM 476 C ALA A 34 -6.023 0.029 6.729 1.00 0.00 C ATOM 477 O ALA A 34 -6.857 -0.663 6.145 1.00 0.00 O ATOM 478 CB ALA A 34 -3.637 0.716 6.443 1.00 0.00 C ATOM 0 H ALA A 34 -5.108 -1.840 5.387 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.373 -0.698 7.866 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.831 1.580 7.079 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.603 0.397 6.571 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.807 0.987 5.401 1.00 0.00 H new ATOM 484 N GLU A 35 -6.321 1.191 7.299 1.00 0.00 N ATOM 485 CA GLU A 35 -7.675 1.730 7.271 1.00 0.00 C ATOM 486 C GLU A 35 -7.651 3.252 7.194 1.00 0.00 C ATOM 487 O GLU A 35 -6.644 3.884 7.511 1.00 0.00 O ATOM 488 CB GLU A 35 -8.449 1.286 8.514 1.00 0.00 C ATOM 489 CG GLU A 35 -8.747 -0.205 8.547 1.00 0.00 C ATOM 490 CD GLU A 35 -9.100 -0.697 9.937 1.00 0.00 C ATOM 491 OE1 GLU A 35 -10.265 -0.521 10.351 1.00 0.00 O ATOM 492 OE2 GLU A 35 -8.211 -1.258 10.612 1.00 0.00 O ATOM 0 H GLU A 35 -5.643 1.778 7.786 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.174 1.345 6.382 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -7.877 1.553 9.402 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.388 1.837 8.562 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.572 -0.422 7.868 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.879 -0.754 8.181 1.00 0.00 H new ATOM 499 N MET A 36 -8.769 3.835 6.775 1.00 0.00 N ATOM 500 CA MET A 36 -8.877 5.283 6.662 1.00 0.00 C ATOM 501 C MET A 36 -10.324 5.735 6.833 1.00 0.00 C ATOM 502 O MET A 36 -11.213 5.297 6.103 1.00 0.00 O ATOM 503 CB MET A 36 -8.335 5.753 5.309 1.00 0.00 C ATOM 504 CG MET A 36 -9.180 5.311 4.125 1.00 0.00 C ATOM 505 SD MET A 36 -8.221 5.153 2.607 1.00 0.00 S ATOM 506 CE MET A 36 -9.380 4.269 1.566 1.00 0.00 C ATOM 0 H MET A 36 -9.612 3.327 6.508 1.00 0.00 H new ATOM 0 HA MET A 36 -8.281 5.731 7.457 1.00 0.00 H new ATOM 0 HB2 MET A 36 -8.270 6.841 5.312 1.00 0.00 H new ATOM 0 HB3 MET A 36 -7.321 5.374 5.182 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.649 4.354 4.355 1.00 0.00 H new ATOM 0 HG3 MET A 36 -9.984 6.030 3.969 1.00 0.00 H new ATOM 0 HE1 MET A 36 -8.835 3.731 0.790 1.00 0.00 H new ATOM 0 HE2 MET A 36 -9.945 3.560 2.171 1.00 0.00 H new ATOM 0 HE3 MET A 36 -10.066 4.978 1.102 1.00 0.00 H new ATOM 516 N GLU A 37 -10.554 6.613 7.804 1.00 0.00 N ATOM 517 CA GLU A 37 -11.894 7.122 8.073 1.00 0.00 C ATOM 518 C GLU A 37 -12.173 8.383 7.262 1.00 0.00 C ATOM 519 O GLU A 37 -11.576 9.433 7.501 1.00 0.00 O ATOM 520 CB GLU A 37 -12.061 7.414 9.565 1.00 0.00 C ATOM 521 CG GLU A 37 -13.511 7.557 9.999 1.00 0.00 C ATOM 522 CD GLU A 37 -13.659 7.687 11.503 1.00 0.00 C ATOM 523 OE1 GLU A 37 -13.118 6.827 12.229 1.00 0.00 O ATOM 524 OE2 GLU A 37 -14.316 8.648 11.954 1.00 0.00 O ATOM 0 H GLU A 37 -9.830 6.987 8.418 1.00 0.00 H new ATOM 0 HA GLU A 37 -12.611 6.357 7.776 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.597 6.611 10.138 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.525 8.331 9.809 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -13.946 8.433 9.518 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -14.076 6.691 9.655 1.00 0.00 H new ATOM 531 N VAL A 38 -13.088 8.271 6.305 1.00 0.00 N ATOM 532 CA VAL A 38 -13.453 9.400 5.457 1.00 0.00 C ATOM 533 C VAL A 38 -14.646 10.149 6.042 1.00 0.00 C ATOM 534 O VAL A 38 -15.265 9.691 7.003 1.00 0.00 O ATOM 535 CB VAL A 38 -13.797 8.947 4.021 1.00 0.00 C ATOM 536 CG1 VAL A 38 -13.562 10.077 3.031 1.00 0.00 C ATOM 537 CG2 VAL A 38 -12.989 7.717 3.631 1.00 0.00 C ATOM 0 H VAL A 38 -13.591 7.408 6.097 1.00 0.00 H new ATOM 0 HA VAL A 38 -12.587 10.061 5.417 1.00 0.00 H new ATOM 0 HB VAL A 38 -14.854 8.681 3.995 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -13.810 9.737 2.025 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -14.192 10.927 3.293 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -12.515 10.378 3.064 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -13.249 7.418 2.616 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.925 7.950 3.679 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -13.213 6.901 4.318 1.00 0.00 H new ATOM 547 N MET A 39 -14.968 11.301 5.461 1.00 0.00 N ATOM 548 CA MET A 39 -16.090 12.105 5.933 1.00 0.00 C ATOM 549 C MET A 39 -17.389 11.306 5.881 1.00 0.00 C ATOM 550 O MET A 39 -18.307 11.545 6.665 1.00 0.00 O ATOM 551 CB MET A 39 -16.225 13.375 5.092 1.00 0.00 C ATOM 552 CG MET A 39 -14.905 14.090 4.852 1.00 0.00 C ATOM 553 SD MET A 39 -15.060 15.885 4.941 1.00 0.00 S ATOM 554 CE MET A 39 -15.186 16.301 3.204 1.00 0.00 C ATOM 0 H MET A 39 -14.469 11.698 4.665 1.00 0.00 H new ATOM 0 HA MET A 39 -15.896 12.384 6.969 1.00 0.00 H new ATOM 0 HB2 MET A 39 -16.669 13.118 4.130 1.00 0.00 H new ATOM 0 HB3 MET A 39 -16.913 14.058 5.589 1.00 0.00 H new ATOM 0 HG2 MET A 39 -14.176 13.755 5.590 1.00 0.00 H new ATOM 0 HG3 MET A 39 -14.518 13.811 3.872 1.00 0.00 H new ATOM 0 HE1 MET A 39 -15.288 17.381 3.095 1.00 0.00 H new ATOM 0 HE2 MET A 39 -14.288 15.967 2.684 1.00 0.00 H new ATOM 0 HE3 MET A 39 -16.059 15.809 2.774 1.00 0.00 H new ATOM 564 N LYS A 40 -17.457 10.356 4.954 1.00 0.00 N ATOM 565 CA LYS A 40 -18.642 9.520 4.802 1.00 0.00 C ATOM 566 C LYS A 40 -18.688 8.441 5.879 1.00 0.00 C ATOM 567 O LYS A 40 -19.484 8.516 6.814 1.00 0.00 O ATOM 568 CB LYS A 40 -18.663 8.875 3.415 1.00 0.00 C ATOM 569 CG LYS A 40 -18.965 9.855 2.293 1.00 0.00 C ATOM 570 CD LYS A 40 -20.457 9.938 2.013 1.00 0.00 C ATOM 571 CE LYS A 40 -20.745 10.764 0.771 1.00 0.00 C ATOM 572 NZ LYS A 40 -22.099 11.383 0.816 1.00 0.00 N ATOM 0 H LYS A 40 -16.706 10.146 4.297 1.00 0.00 H new ATOM 0 HA LYS A 40 -19.521 10.155 4.912 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -17.697 8.406 3.227 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -19.410 8.081 3.404 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -18.588 10.842 2.560 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -18.440 9.547 1.388 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -20.861 8.934 1.885 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -20.965 10.379 2.871 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -19.992 11.546 0.672 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -20.665 10.131 -0.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -22.256 11.938 -0.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -22.820 10.637 0.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -22.168 12.008 1.645 1.00 0.00 H new ATOM 586 N MET A 41 -17.828 7.436 5.740 1.00 0.00 N ATOM 587 CA MET A 41 -17.771 6.340 6.701 1.00 0.00 C ATOM 588 C MET A 41 -16.367 5.747 6.767 1.00 0.00 C ATOM 589 O MET A 41 -15.437 6.255 6.140 1.00 0.00 O ATOM 590 CB MET A 41 -18.782 5.254 6.326 1.00 0.00 C ATOM 591 CG MET A 41 -20.105 5.374 7.066 1.00 0.00 C ATOM 592 SD MET A 41 -21.478 5.798 5.976 1.00 0.00 S ATOM 593 CE MET A 41 -21.829 4.205 5.238 1.00 0.00 C ATOM 0 H MET A 41 -17.162 7.358 4.972 1.00 0.00 H new ATOM 0 HA MET A 41 -18.023 6.737 7.684 1.00 0.00 H new ATOM 0 HB2 MET A 41 -18.970 5.299 5.253 1.00 0.00 H new ATOM 0 HB3 MET A 41 -18.347 4.276 6.533 1.00 0.00 H new ATOM 0 HG2 MET A 41 -20.323 4.431 7.567 1.00 0.00 H new ATOM 0 HG3 MET A 41 -20.015 6.134 7.842 1.00 0.00 H new ATOM 0 HE1 MET A 41 -22.658 4.303 4.537 1.00 0.00 H new ATOM 0 HE2 MET A 41 -20.946 3.847 4.708 1.00 0.00 H new ATOM 0 HE3 MET A 41 -22.097 3.493 6.019 1.00 0.00 H new ATOM 603 N ILE A 42 -16.221 4.668 7.530 1.00 0.00 N ATOM 604 CA ILE A 42 -14.932 4.003 7.677 1.00 0.00 C ATOM 605 C ILE A 42 -14.667 3.062 6.506 1.00 0.00 C ATOM 606 O ILE A 42 -15.595 2.492 5.932 1.00 0.00 O ATOM 607 CB ILE A 42 -14.862 3.205 8.995 1.00 0.00 C ATOM 608 CG1 ILE A 42 -13.494 2.533 9.147 1.00 0.00 C ATOM 609 CG2 ILE A 42 -15.975 2.169 9.047 1.00 0.00 C ATOM 610 CD1 ILE A 42 -12.336 3.506 9.138 1.00 0.00 C ATOM 0 H ILE A 42 -16.980 4.236 8.056 1.00 0.00 H new ATOM 0 HA ILE A 42 -14.169 4.781 7.693 1.00 0.00 H new ATOM 0 HB ILE A 42 -14.996 3.898 9.825 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -13.477 1.970 10.080 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -13.360 1.814 8.339 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -15.912 1.614 9.983 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -16.941 2.670 8.986 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -15.870 1.480 8.209 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -11.400 2.959 9.250 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -12.327 4.052 8.195 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -12.446 4.210 9.963 1.00 0.00 H new ATOM 622 N MET A 43 -13.394 2.904 6.156 1.00 0.00 N ATOM 623 CA MET A 43 -13.010 2.031 5.052 1.00 0.00 C ATOM 624 C MET A 43 -11.674 1.350 5.333 1.00 0.00 C ATOM 625 O MET A 43 -10.923 1.771 6.213 1.00 0.00 O ATOM 626 CB MET A 43 -12.925 2.829 3.749 1.00 0.00 C ATOM 627 CG MET A 43 -14.280 3.128 3.130 1.00 0.00 C ATOM 628 SD MET A 43 -14.162 3.601 1.394 1.00 0.00 S ATOM 629 CE MET A 43 -14.717 2.097 0.595 1.00 0.00 C ATOM 0 H MET A 43 -12.613 3.368 6.620 1.00 0.00 H new ATOM 0 HA MET A 43 -13.774 1.261 4.950 1.00 0.00 H new ATOM 0 HB2 MET A 43 -12.407 3.769 3.941 1.00 0.00 H new ATOM 0 HB3 MET A 43 -12.321 2.274 3.031 1.00 0.00 H new ATOM 0 HG2 MET A 43 -14.918 2.249 3.220 1.00 0.00 H new ATOM 0 HG3 MET A 43 -14.761 3.930 3.689 1.00 0.00 H new ATOM 0 HE1 MET A 43 -14.700 2.232 -0.486 1.00 0.00 H new ATOM 0 HE2 MET A 43 -14.056 1.274 0.868 1.00 0.00 H new ATOM 0 HE3 MET A 43 -15.733 1.868 0.916 1.00 0.00 H new ATOM 639 N THR A 44 -11.386 0.293 4.579 1.00 0.00 N ATOM 640 CA THR A 44 -10.141 -0.450 4.745 1.00 0.00 C ATOM 641 C THR A 44 -9.321 -0.429 3.459 1.00 0.00 C ATOM 642 O THR A 44 -9.854 -0.629 2.368 1.00 0.00 O ATOM 643 CB THR A 44 -10.434 -1.897 5.153 1.00 0.00 C ATOM 644 OG1 THR A 44 -11.786 -2.045 5.549 1.00 0.00 O ATOM 645 CG2 THR A 44 -9.566 -2.384 6.293 1.00 0.00 C ATOM 0 H THR A 44 -11.998 -0.068 3.847 1.00 0.00 H new ATOM 0 HA THR A 44 -9.562 0.032 5.533 1.00 0.00 H new ATOM 0 HB THR A 44 -10.215 -2.495 4.268 1.00 0.00 H new ATOM 0 HG1 THR A 44 -11.952 -2.977 5.804 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.825 -3.415 6.532 1.00 0.00 H new ATOM 0 HG22 THR A 44 -8.517 -2.331 6.000 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.730 -1.756 7.169 1.00 0.00 H new ATOM 653 N LEU A 45 -8.021 -0.190 3.596 1.00 0.00 N ATOM 654 CA LEU A 45 -7.128 -0.149 2.445 1.00 0.00 C ATOM 655 C LEU A 45 -6.507 -1.519 2.194 1.00 0.00 C ATOM 656 O LEU A 45 -5.749 -2.028 3.019 1.00 0.00 O ATOM 657 CB LEU A 45 -6.027 0.890 2.663 1.00 0.00 C ATOM 658 CG LEU A 45 -6.520 2.325 2.860 1.00 0.00 C ATOM 659 CD1 LEU A 45 -6.714 2.624 4.339 1.00 0.00 C ATOM 660 CD2 LEU A 45 -5.546 3.314 2.238 1.00 0.00 C ATOM 0 H LEU A 45 -7.563 -0.022 4.492 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.714 0.133 1.570 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.443 0.600 3.536 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.353 0.868 1.807 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.482 2.430 2.359 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.065 3.649 4.460 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.450 1.937 4.756 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.766 2.501 4.863 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.913 4.329 2.388 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.569 3.208 2.710 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.457 3.114 1.170 1.00 0.00 H new ATOM 672 N ASN A 46 -6.836 -2.112 1.051 1.00 0.00 N ATOM 673 CA ASN A 46 -6.312 -3.426 0.696 1.00 0.00 C ATOM 674 C ASN A 46 -5.246 -3.311 -0.389 1.00 0.00 C ATOM 675 O ASN A 46 -5.081 -2.256 -1.002 1.00 0.00 O ATOM 676 CB ASN A 46 -7.439 -4.350 0.217 1.00 0.00 C ATOM 677 CG ASN A 46 -8.783 -4.023 0.845 1.00 0.00 C ATOM 678 OD1 ASN A 46 -8.769 -3.647 2.119 1.00 0.00 O flip ATOM 679 ND2 ASN A 46 -9.823 -4.109 0.191 1.00 0.00 N flip ATOM 0 H ASN A 46 -7.462 -1.705 0.356 1.00 0.00 H new ATOM 0 HA ASN A 46 -5.859 -3.855 1.590 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -7.524 -4.278 -0.867 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -7.178 -5.383 0.449 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -9.789 -4.402 -0.785 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.719 -3.887 0.626 1.00 0.00 H new ATOM 686 N VAL A 47 -4.526 -4.404 -0.622 1.00 0.00 N ATOM 687 CA VAL A 47 -3.477 -4.426 -1.634 1.00 0.00 C ATOM 688 C VAL A 47 -4.019 -4.923 -2.970 1.00 0.00 C ATOM 689 O VAL A 47 -4.929 -5.752 -3.012 1.00 0.00 O ATOM 690 CB VAL A 47 -2.300 -5.322 -1.206 1.00 0.00 C ATOM 691 CG1 VAL A 47 -1.504 -4.662 -0.091 1.00 0.00 C ATOM 692 CG2 VAL A 47 -2.801 -6.692 -0.774 1.00 0.00 C ATOM 0 H VAL A 47 -4.650 -5.285 -0.124 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.121 -3.402 -1.744 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.639 -5.456 -2.063 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.677 -5.310 0.198 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.112 -3.707 -0.440 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.152 -4.496 0.769 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.955 -7.311 -0.475 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.485 -6.581 0.068 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.323 -7.167 -1.605 1.00 0.00 H new ATOM 702 N GLN A 48 -3.458 -4.410 -4.060 1.00 0.00 N ATOM 703 CA GLN A 48 -3.889 -4.801 -5.398 1.00 0.00 C ATOM 704 C GLN A 48 -3.179 -6.072 -5.864 1.00 0.00 C ATOM 705 O GLN A 48 -3.618 -6.724 -6.811 1.00 0.00 O ATOM 706 CB GLN A 48 -3.644 -3.660 -6.393 1.00 0.00 C ATOM 707 CG GLN A 48 -2.180 -3.455 -6.760 1.00 0.00 C ATOM 708 CD GLN A 48 -1.419 -2.664 -5.713 1.00 0.00 C ATOM 709 OE1 GLN A 48 -0.626 -3.361 -4.907 1.00 0.00 O flip ATOM 710 NE2 GLN A 48 -1.543 -1.442 -5.630 1.00 0.00 N flip ATOM 0 H GLN A 48 -2.704 -3.723 -4.044 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.958 -5.011 -5.355 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.211 -3.858 -7.303 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.034 -2.734 -5.970 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -1.704 -4.426 -6.893 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.119 -2.936 -7.717 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -2.164 -0.948 -6.271 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -1.025 -0.924 -4.921 1.00 0.00 H new ATOM 719 N GLU A 49 -2.081 -6.418 -5.198 1.00 0.00 N ATOM 720 CA GLU A 49 -1.319 -7.609 -5.555 1.00 0.00 C ATOM 721 C GLU A 49 -0.553 -8.148 -4.351 1.00 0.00 C ATOM 722 O GLU A 49 -0.440 -7.480 -3.323 1.00 0.00 O ATOM 723 CB GLU A 49 -0.346 -7.296 -6.693 1.00 0.00 C ATOM 724 CG GLU A 49 -1.023 -7.143 -8.046 1.00 0.00 C ATOM 725 CD GLU A 49 -1.747 -8.402 -8.481 1.00 0.00 C ATOM 726 OE1 GLU A 49 -1.072 -9.426 -8.713 1.00 0.00 O ATOM 727 OE2 GLU A 49 -2.991 -8.363 -8.590 1.00 0.00 O ATOM 0 H GLU A 49 -1.701 -5.892 -4.411 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.023 -8.372 -5.887 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.191 -6.377 -6.459 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.396 -8.092 -6.755 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.733 -6.317 -8.002 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -0.275 -6.881 -8.795 1.00 0.00 H new ATOM 734 N ARG A 50 -0.030 -9.362 -4.487 1.00 0.00 N ATOM 735 CA ARG A 50 0.725 -9.995 -3.412 1.00 0.00 C ATOM 736 C ARG A 50 2.050 -9.279 -3.179 1.00 0.00 C ATOM 737 O ARG A 50 2.684 -8.803 -4.121 1.00 0.00 O ATOM 738 CB ARG A 50 0.978 -11.468 -3.737 1.00 0.00 C ATOM 739 CG ARG A 50 -0.262 -12.339 -3.620 1.00 0.00 C ATOM 740 CD ARG A 50 -1.146 -12.217 -4.851 1.00 0.00 C ATOM 741 NE ARG A 50 -1.847 -13.464 -5.148 1.00 0.00 N ATOM 742 CZ ARG A 50 -2.816 -13.572 -6.054 1.00 0.00 C ATOM 743 NH1 ARG A 50 -3.202 -12.512 -6.753 1.00 0.00 N ATOM 744 NH2 ARG A 50 -3.400 -14.744 -6.263 1.00 0.00 N ATOM 0 H ARG A 50 -0.115 -9.927 -5.332 1.00 0.00 H new ATOM 0 HA ARG A 50 0.133 -9.927 -2.499 1.00 0.00 H new ATOM 0 HB2 ARG A 50 1.372 -11.545 -4.750 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.746 -11.853 -3.066 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.034 -13.379 -3.485 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.828 -12.051 -2.734 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -1.874 -11.420 -4.697 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.536 -11.931 -5.708 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.578 -14.301 -4.631 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.755 -11.608 -6.597 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.945 -12.601 -7.446 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.107 -15.562 -5.730 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -4.143 -14.827 -6.957 1.00 0.00 H new ATOM 758 N GLY A 51 2.463 -9.206 -1.919 1.00 0.00 N ATOM 759 CA GLY A 51 3.711 -8.547 -1.583 1.00 0.00 C ATOM 760 C GLY A 51 3.691 -7.942 -0.194 1.00 0.00 C ATOM 761 O GLY A 51 2.686 -8.027 0.512 1.00 0.00 O ATOM 0 H GLY A 51 1.955 -9.592 -1.123 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.528 -9.266 -1.651 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.913 -7.764 -2.314 1.00 0.00 H new ATOM 765 N ARG A 52 4.802 -7.329 0.200 1.00 0.00 N ATOM 766 CA ARG A 52 4.905 -6.707 1.514 1.00 0.00 C ATOM 767 C ARG A 52 4.569 -5.222 1.439 1.00 0.00 C ATOM 768 O ARG A 52 5.178 -4.475 0.673 1.00 0.00 O ATOM 769 CB ARG A 52 6.313 -6.897 2.083 1.00 0.00 C ATOM 770 CG ARG A 52 6.469 -8.161 2.911 1.00 0.00 C ATOM 771 CD ARG A 52 6.934 -9.331 2.060 1.00 0.00 C ATOM 772 NE ARG A 52 8.326 -9.185 1.642 1.00 0.00 N ATOM 773 CZ ARG A 52 9.368 -9.439 2.430 1.00 0.00 C ATOM 774 NH1 ARG A 52 9.180 -9.852 3.678 1.00 0.00 N ATOM 775 NH2 ARG A 52 10.602 -9.280 1.970 1.00 0.00 N ATOM 0 H ARG A 52 5.643 -7.250 -0.372 1.00 0.00 H new ATOM 0 HA ARG A 52 4.186 -7.191 2.176 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.028 -6.921 1.261 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.566 -6.035 2.700 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.186 -7.986 3.713 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.518 -8.408 3.382 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.820 -10.257 2.624 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.298 -9.414 1.179 1.00 0.00 H new ATOM 0 HE ARG A 52 8.510 -8.870 0.690 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.233 -9.976 4.037 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.982 -10.045 4.278 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.752 -8.963 1.012 1.00 0.00 H new ATOM 0 HH22 ARG A 52 11.400 -9.475 2.574 1.00 0.00 H new ATOM 789 N VAL A 53 3.595 -4.800 2.239 1.00 0.00 N ATOM 790 CA VAL A 53 3.177 -3.404 2.262 1.00 0.00 C ATOM 791 C VAL A 53 4.106 -2.567 3.134 1.00 0.00 C ATOM 792 O VAL A 53 4.343 -2.893 4.297 1.00 0.00 O ATOM 793 CB VAL A 53 1.733 -3.257 2.781 1.00 0.00 C ATOM 794 CG1 VAL A 53 1.266 -1.814 2.665 1.00 0.00 C ATOM 795 CG2 VAL A 53 0.798 -4.189 2.027 1.00 0.00 C ATOM 0 H VAL A 53 3.081 -5.405 2.879 1.00 0.00 H new ATOM 0 HA VAL A 53 3.224 -3.043 1.234 1.00 0.00 H new ATOM 0 HB VAL A 53 1.716 -3.536 3.835 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.245 -1.731 3.036 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.920 -1.171 3.255 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.299 -1.504 1.621 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.217 -4.072 2.407 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.819 -3.944 0.965 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.121 -5.220 2.168 1.00 0.00 H new ATOM 805 N LYS A 54 4.628 -1.485 2.565 1.00 0.00 N ATOM 806 CA LYS A 54 5.530 -0.599 3.291 1.00 0.00 C ATOM 807 C LYS A 54 4.905 0.779 3.470 1.00 0.00 C ATOM 808 O LYS A 54 4.726 1.520 2.504 1.00 0.00 O ATOM 809 CB LYS A 54 6.864 -0.476 2.553 1.00 0.00 C ATOM 810 CG LYS A 54 7.415 -1.806 2.066 1.00 0.00 C ATOM 811 CD LYS A 54 8.909 -1.725 1.797 1.00 0.00 C ATOM 812 CE LYS A 54 9.203 -0.976 0.507 1.00 0.00 C ATOM 813 NZ LYS A 54 10.657 -0.705 0.341 1.00 0.00 N ATOM 0 H LYS A 54 4.442 -1.201 1.603 1.00 0.00 H new ATOM 0 HA LYS A 54 5.709 -1.030 4.276 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.737 0.190 1.699 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.594 -0.010 3.215 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.220 -2.577 2.812 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.896 -2.105 1.155 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.403 -1.225 2.630 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.324 -2.731 1.738 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.843 -1.559 -0.341 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.655 -0.034 0.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.815 -0.193 -0.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.996 -0.127 1.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.178 -1.605 0.320 1.00 0.00 H new ATOM 827 N TYR A 55 4.570 1.115 4.710 1.00 0.00 N ATOM 828 CA TYR A 55 3.960 2.403 5.018 1.00 0.00 C ATOM 829 C TYR A 55 4.851 3.559 4.572 1.00 0.00 C ATOM 830 O TYR A 55 6.045 3.587 4.871 1.00 0.00 O ATOM 831 CB TYR A 55 3.680 2.511 6.518 1.00 0.00 C ATOM 832 CG TYR A 55 2.324 1.978 6.921 1.00 0.00 C ATOM 833 CD1 TYR A 55 1.834 0.794 6.384 1.00 0.00 C ATOM 834 CD2 TYR A 55 1.534 2.659 7.839 1.00 0.00 C ATOM 835 CE1 TYR A 55 0.595 0.303 6.750 1.00 0.00 C ATOM 836 CE2 TYR A 55 0.294 2.174 8.210 1.00 0.00 C ATOM 837 CZ TYR A 55 -0.171 0.997 7.663 1.00 0.00 C ATOM 838 OH TYR A 55 -1.404 0.511 8.030 1.00 0.00 O ATOM 0 H TYR A 55 4.711 0.512 5.520 1.00 0.00 H new ATOM 0 HA TYR A 55 3.020 2.466 4.470 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.451 1.967 7.063 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.754 3.556 6.819 1.00 0.00 H new ATOM 0 HD1 TYR A 55 2.431 0.248 5.669 1.00 0.00 H new ATOM 0 HD2 TYR A 55 1.894 3.582 8.269 1.00 0.00 H new ATOM 0 HE1 TYR A 55 0.229 -0.619 6.323 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.308 2.715 8.925 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.527 -0.386 7.654 1.00 0.00 H new ATOM 848 N ILE A 56 4.258 4.515 3.865 1.00 0.00 N ATOM 849 CA ILE A 56 4.990 5.682 3.386 1.00 0.00 C ATOM 850 C ILE A 56 4.632 6.910 4.215 1.00 0.00 C ATOM 851 O ILE A 56 5.507 7.599 4.738 1.00 0.00 O ATOM 852 CB ILE A 56 4.702 5.951 1.885 1.00 0.00 C ATOM 853 CG1 ILE A 56 5.700 5.192 1.006 1.00 0.00 C ATOM 854 CG2 ILE A 56 4.753 7.442 1.568 1.00 0.00 C ATOM 855 CD1 ILE A 56 5.795 3.716 1.322 1.00 0.00 C ATOM 0 H ILE A 56 3.270 4.504 3.611 1.00 0.00 H new ATOM 0 HA ILE A 56 6.055 5.476 3.496 1.00 0.00 H new ATOM 0 HB ILE A 56 3.695 5.594 1.671 1.00 0.00 H new ATOM 0 HG12 ILE A 56 5.414 5.312 -0.039 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.686 5.642 1.120 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.547 7.596 0.509 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.005 7.966 2.163 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.743 7.831 1.805 1.00 0.00 H new ATOM 0 HD11 ILE A 56 6.522 3.248 0.658 1.00 0.00 H new ATOM 0 HD12 ILE A 56 6.112 3.585 2.357 1.00 0.00 H new ATOM 0 HD13 ILE A 56 4.820 3.250 1.179 1.00 0.00 H new ATOM 867 N LYS A 57 3.339 7.170 4.329 1.00 0.00 N ATOM 868 CA LYS A 57 2.848 8.307 5.092 1.00 0.00 C ATOM 869 C LYS A 57 3.020 8.071 6.590 1.00 0.00 C ATOM 870 O LYS A 57 3.388 6.976 7.016 1.00 0.00 O ATOM 871 CB LYS A 57 1.377 8.547 4.758 1.00 0.00 C ATOM 872 CG LYS A 57 1.150 9.703 3.797 1.00 0.00 C ATOM 873 CD LYS A 57 1.724 11.004 4.337 1.00 0.00 C ATOM 874 CE LYS A 57 0.626 11.975 4.738 1.00 0.00 C ATOM 875 NZ LYS A 57 1.165 13.147 5.481 1.00 0.00 N ATOM 0 H LYS A 57 2.606 6.605 3.900 1.00 0.00 H new ATOM 0 HA LYS A 57 3.429 9.189 4.822 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.959 7.638 4.325 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.831 8.741 5.681 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.610 9.473 2.836 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.082 9.823 3.618 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.357 10.793 5.199 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.359 11.464 3.580 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.103 12.320 3.846 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.107 11.458 5.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.381 13.768 5.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.671 12.818 6.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.820 13.675 4.869 1.00 0.00 H new ATOM 889 N ARG A 58 2.753 9.103 7.384 1.00 0.00 N ATOM 890 CA ARG A 58 2.880 9.003 8.834 1.00 0.00 C ATOM 891 C ARG A 58 1.548 8.611 9.472 1.00 0.00 C ATOM 892 O ARG A 58 0.490 8.767 8.863 1.00 0.00 O ATOM 893 CB ARG A 58 3.367 10.332 9.416 1.00 0.00 C ATOM 894 CG ARG A 58 4.875 10.402 9.594 1.00 0.00 C ATOM 895 CD ARG A 58 5.603 10.133 8.286 1.00 0.00 C ATOM 896 NE ARG A 58 7.015 10.501 8.360 1.00 0.00 N ATOM 897 CZ ARG A 58 7.924 9.818 9.052 1.00 0.00 C ATOM 898 NH1 ARG A 58 7.573 8.732 9.730 1.00 0.00 N ATOM 899 NH2 ARG A 58 9.187 10.221 9.065 1.00 0.00 N ATOM 0 H ARG A 58 2.448 10.017 7.049 1.00 0.00 H new ATOM 0 HA ARG A 58 3.611 8.226 9.058 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.049 11.144 8.762 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.888 10.494 10.381 1.00 0.00 H new ATOM 0 HG2 ARG A 58 5.153 11.386 9.971 1.00 0.00 H new ATOM 0 HG3 ARG A 58 5.188 9.674 10.343 1.00 0.00 H new ATOM 0 HD2 ARG A 58 5.517 9.076 8.034 1.00 0.00 H new ATOM 0 HD3 ARG A 58 5.124 10.693 7.483 1.00 0.00 H new ATOM 0 HE ARG A 58 7.322 11.330 7.851 1.00 0.00 H new ATOM 0 HH11 ARG A 58 6.603 8.417 9.722 1.00 0.00 H new ATOM 0 HH12 ARG A 58 8.274 8.212 10.259 1.00 0.00 H new ATOM 0 HH21 ARG A 58 9.462 11.054 8.545 1.00 0.00 H new ATOM 0 HH22 ARG A 58 9.884 9.698 9.595 1.00 0.00 H new ATOM 913 N PRO A 59 1.585 8.096 10.714 1.00 0.00 N ATOM 914 CA PRO A 59 0.375 7.684 11.433 1.00 0.00 C ATOM 915 C PRO A 59 -0.506 8.870 11.806 1.00 0.00 C ATOM 916 O PRO A 59 -0.039 9.841 12.401 1.00 0.00 O ATOM 917 CB PRO A 59 0.919 7.003 12.691 1.00 0.00 C ATOM 918 CG PRO A 59 2.270 7.595 12.890 1.00 0.00 C ATOM 919 CD PRO A 59 2.804 7.879 11.513 1.00 0.00 C ATOM 0 HA PRO A 59 -0.259 7.037 10.826 1.00 0.00 H new ATOM 0 HB2 PRO A 59 0.275 7.188 13.551 1.00 0.00 H new ATOM 0 HB3 PRO A 59 0.976 5.922 12.563 1.00 0.00 H new ATOM 0 HG2 PRO A 59 2.213 8.508 13.482 1.00 0.00 H new ATOM 0 HG3 PRO A 59 2.922 6.907 13.427 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.451 8.756 11.506 1.00 0.00 H new ATOM 0 HD3 PRO A 59 3.393 7.045 11.130 1.00 0.00 H new ATOM 927 N GLY A 60 -1.783 8.785 11.448 1.00 0.00 N ATOM 928 CA GLY A 60 -2.713 9.858 11.748 1.00 0.00 C ATOM 929 C GLY A 60 -2.765 10.911 10.655 1.00 0.00 C ATOM 930 O GLY A 60 -3.694 11.717 10.606 1.00 0.00 O ATOM 0 H GLY A 60 -2.191 7.991 10.955 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -3.709 9.440 11.892 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.426 10.330 12.688 1.00 0.00 H new ATOM 934 N ALA A 61 -1.765 10.907 9.777 1.00 0.00 N ATOM 935 CA ALA A 61 -1.699 11.868 8.682 1.00 0.00 C ATOM 936 C ALA A 61 -2.956 11.817 7.820 1.00 0.00 C ATOM 937 O ALA A 61 -3.580 10.766 7.675 1.00 0.00 O ATOM 938 CB ALA A 61 -0.466 11.610 7.831 1.00 0.00 C ATOM 0 H ALA A 61 -0.988 10.247 9.804 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.631 12.866 9.115 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.428 12.334 7.017 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.428 11.709 8.447 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.513 10.602 7.419 1.00 0.00 H new ATOM 944 N VAL A 62 -3.318 12.959 7.245 1.00 0.00 N ATOM 945 CA VAL A 62 -4.496 13.046 6.392 1.00 0.00 C ATOM 946 C VAL A 62 -4.203 12.493 5.001 1.00 0.00 C ATOM 947 O VAL A 62 -3.205 12.854 4.377 1.00 0.00 O ATOM 948 CB VAL A 62 -4.991 14.498 6.260 1.00 0.00 C ATOM 949 CG1 VAL A 62 -6.326 14.544 5.533 1.00 0.00 C ATOM 950 CG2 VAL A 62 -5.099 15.151 7.630 1.00 0.00 C ATOM 0 H VAL A 62 -2.811 13.838 7.355 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.275 12.448 6.865 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.264 15.058 5.671 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.659 15.578 5.450 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.212 14.118 4.536 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.064 13.969 6.091 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.450 16.177 7.517 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.804 14.592 8.245 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.120 15.153 8.110 1.00 0.00 H new ATOM 960 N LEU A 63 -5.076 11.614 4.521 1.00 0.00 N ATOM 961 CA LEU A 63 -4.907 11.012 3.204 1.00 0.00 C ATOM 962 C LEU A 63 -5.449 11.927 2.112 1.00 0.00 C ATOM 963 O LEU A 63 -6.359 12.722 2.348 1.00 0.00 O ATOM 964 CB LEU A 63 -5.613 9.656 3.146 1.00 0.00 C ATOM 965 CG LEU A 63 -4.810 8.484 3.713 1.00 0.00 C ATOM 966 CD1 LEU A 63 -3.516 8.298 2.936 1.00 0.00 C ATOM 967 CD2 LEU A 63 -4.520 8.703 5.191 1.00 0.00 C ATOM 0 H LEU A 63 -5.907 11.303 5.024 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.840 10.867 3.034 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.554 9.730 3.691 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.862 9.437 2.108 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.405 7.577 3.610 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.958 7.460 3.354 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.746 8.096 1.890 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.915 9.205 3.007 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.948 7.860 5.578 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.945 9.620 5.317 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.459 8.786 5.738 1.00 0.00 H new ATOM 979 N GLU A 64 -4.884 11.809 0.915 1.00 0.00 N ATOM 980 CA GLU A 64 -5.310 12.625 -0.216 1.00 0.00 C ATOM 981 C GLU A 64 -5.530 11.763 -1.454 1.00 0.00 C ATOM 982 O GLU A 64 -4.833 10.769 -1.663 1.00 0.00 O ATOM 983 CB GLU A 64 -4.270 13.707 -0.512 1.00 0.00 C ATOM 984 CG GLU A 64 -3.888 14.532 0.706 1.00 0.00 C ATOM 985 CD GLU A 64 -5.082 15.213 1.346 1.00 0.00 C ATOM 986 OE1 GLU A 64 -5.959 15.698 0.601 1.00 0.00 O ATOM 987 OE2 GLU A 64 -5.139 15.262 2.593 1.00 0.00 O ATOM 0 H GLU A 64 -4.130 11.156 0.703 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.254 13.102 0.046 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -3.374 13.237 -0.918 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.659 14.372 -1.284 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.405 13.887 1.440 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.157 15.286 0.415 1.00 0.00 H new ATOM 994 N ALA A 65 -6.503 12.148 -2.273 1.00 0.00 N ATOM 995 CA ALA A 65 -6.813 11.409 -3.491 1.00 0.00 C ATOM 996 C ALA A 65 -5.620 11.391 -4.439 1.00 0.00 C ATOM 997 O ALA A 65 -5.410 12.329 -5.207 1.00 0.00 O ATOM 998 CB ALA A 65 -8.028 12.013 -4.179 1.00 0.00 C ATOM 0 H ALA A 65 -7.090 12.967 -2.115 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.040 10.379 -3.215 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.248 11.452 -5.087 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.886 11.969 -3.508 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.822 13.052 -4.436 1.00 0.00 H new ATOM 1004 N GLY A 66 -4.840 10.316 -4.379 1.00 0.00 N ATOM 1005 CA GLY A 66 -3.676 10.194 -5.238 1.00 0.00 C ATOM 1006 C GLY A 66 -2.390 10.013 -4.454 1.00 0.00 C ATOM 1007 O GLY A 66 -1.407 9.488 -4.977 1.00 0.00 O ATOM 0 H GLY A 66 -4.993 9.527 -3.751 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.811 9.345 -5.909 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.595 11.084 -5.862 1.00 0.00 H new ATOM 1011 N CYS A 67 -2.395 10.449 -3.198 1.00 0.00 N ATOM 1012 CA CYS A 67 -1.217 10.331 -2.345 1.00 0.00 C ATOM 1013 C CYS A 67 -0.882 8.867 -2.078 1.00 0.00 C ATOM 1014 O CYS A 67 -1.772 8.020 -1.997 1.00 0.00 O ATOM 1015 CB CYS A 67 -1.446 11.063 -1.021 1.00 0.00 C ATOM 1016 SG CYS A 67 0.014 11.136 0.043 1.00 0.00 S ATOM 0 H CYS A 67 -3.200 10.886 -2.749 1.00 0.00 H new ATOM 0 HA CYS A 67 -0.375 10.788 -2.865 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -1.779 12.079 -1.233 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -2.253 10.569 -0.480 1.00 0.00 H new ATOM 0 HG CYS A 67 -0.278 11.775 1.137 1.00 0.00 H new ATOM 1022 N VAL A 68 0.408 8.576 -1.941 1.00 0.00 N ATOM 1023 CA VAL A 68 0.862 7.214 -1.682 1.00 0.00 C ATOM 1024 C VAL A 68 0.739 6.867 -0.202 1.00 0.00 C ATOM 1025 O VAL A 68 1.443 7.426 0.638 1.00 0.00 O ATOM 1026 CB VAL A 68 2.324 7.015 -2.124 1.00 0.00 C ATOM 1027 CG1 VAL A 68 2.706 5.544 -2.058 1.00 0.00 C ATOM 1028 CG2 VAL A 68 2.538 7.566 -3.526 1.00 0.00 C ATOM 0 H VAL A 68 1.157 9.265 -2.005 1.00 0.00 H new ATOM 0 HA VAL A 68 0.221 6.551 -2.263 1.00 0.00 H new ATOM 0 HB VAL A 68 2.969 7.566 -1.440 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.742 5.423 -2.374 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.594 5.185 -1.035 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.056 4.969 -2.718 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.577 7.416 -3.821 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.884 7.046 -4.225 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.307 8.631 -3.537 1.00 0.00 H new ATOM 1038 N VAL A 69 -0.163 5.941 0.110 1.00 0.00 N ATOM 1039 CA VAL A 69 -0.380 5.520 1.489 1.00 0.00 C ATOM 1040 C VAL A 69 0.650 4.481 1.922 1.00 0.00 C ATOM 1041 O VAL A 69 0.954 4.353 3.108 1.00 0.00 O ATOM 1042 CB VAL A 69 -1.792 4.935 1.681 1.00 0.00 C ATOM 1043 CG1 VAL A 69 -2.073 4.689 3.156 1.00 0.00 C ATOM 1044 CG2 VAL A 69 -2.839 5.859 1.078 1.00 0.00 C ATOM 0 H VAL A 69 -0.755 5.469 -0.573 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.273 6.410 2.109 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.843 3.978 1.161 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.075 4.276 3.272 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.342 3.985 3.553 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.004 5.630 3.702 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.830 5.429 1.223 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.790 6.832 1.567 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.648 5.978 0.012 1.00 0.00 H new ATOM 1054 N ALA A 70 1.183 3.739 0.956 1.00 0.00 N ATOM 1055 CA ALA A 70 2.177 2.712 1.246 1.00 0.00 C ATOM 1056 C ALA A 70 2.874 2.242 -0.028 1.00 0.00 C ATOM 1057 O ALA A 70 2.766 2.877 -1.077 1.00 0.00 O ATOM 1058 CB ALA A 70 1.524 1.536 1.958 1.00 0.00 C ATOM 0 H ALA A 70 0.944 3.829 -0.031 1.00 0.00 H new ATOM 0 HA ALA A 70 2.933 3.147 1.900 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.276 0.776 2.169 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.081 1.878 2.893 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.747 1.111 1.322 1.00 0.00 H new ATOM 1064 N ARG A 71 3.592 1.127 0.074 1.00 0.00 N ATOM 1065 CA ARG A 71 4.310 0.572 -1.067 1.00 0.00 C ATOM 1066 C ARG A 71 4.238 -0.952 -1.065 1.00 0.00 C ATOM 1067 O ARG A 71 4.347 -1.586 -0.016 1.00 0.00 O ATOM 1068 CB ARG A 71 5.772 1.023 -1.043 1.00 0.00 C ATOM 1069 CG ARG A 71 6.006 2.364 -1.720 1.00 0.00 C ATOM 1070 CD ARG A 71 5.841 2.264 -3.228 1.00 0.00 C ATOM 1071 NE ARG A 71 7.125 2.298 -3.923 1.00 0.00 N ATOM 1072 CZ ARG A 71 7.808 3.416 -4.165 1.00 0.00 C ATOM 1073 NH1 ARG A 71 7.334 4.590 -3.769 1.00 0.00 N ATOM 1074 NH2 ARG A 71 8.968 3.358 -4.804 1.00 0.00 N ATOM 0 H ARG A 71 3.691 0.591 0.936 1.00 0.00 H new ATOM 0 HA ARG A 71 3.837 0.940 -1.977 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.108 1.084 -0.008 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.385 0.266 -1.532 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.305 3.099 -1.324 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.009 2.721 -1.486 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.320 1.339 -3.475 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.217 3.085 -3.580 1.00 0.00 H new ATOM 0 HE ARG A 71 7.522 1.414 -4.242 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.442 4.640 -3.276 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.861 5.443 -3.957 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.337 2.458 -5.110 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.491 4.214 -4.990 1.00 0.00 H new ATOM 1088 N LEU A 72 4.052 -1.533 -2.246 1.00 0.00 N ATOM 1089 CA LEU A 72 3.963 -2.983 -2.377 1.00 0.00 C ATOM 1090 C LEU A 72 5.317 -3.583 -2.746 1.00 0.00 C ATOM 1091 O LEU A 72 5.922 -3.207 -3.748 1.00 0.00 O ATOM 1092 CB LEU A 72 2.920 -3.358 -3.432 1.00 0.00 C ATOM 1093 CG LEU A 72 1.716 -4.139 -2.902 1.00 0.00 C ATOM 1094 CD1 LEU A 72 2.172 -5.403 -2.189 1.00 0.00 C ATOM 1095 CD2 LEU A 72 0.885 -3.270 -1.971 1.00 0.00 C ATOM 0 H LEU A 72 3.960 -1.023 -3.125 1.00 0.00 H new ATOM 0 HA LEU A 72 3.658 -3.391 -1.413 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.561 -2.445 -3.907 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.406 -3.951 -4.207 1.00 0.00 H new ATOM 0 HG LEU A 72 1.093 -4.428 -3.749 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.302 -5.946 -1.819 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.724 -6.034 -2.885 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.817 -5.136 -1.352 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.033 -3.842 -1.604 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.498 -2.950 -1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.528 -2.394 -2.513 1.00 0.00 H new