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 -29:sc= 0.0178 USER MOD Single : A 10 SER OG : rot 103:sc= 1.38 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -168:sc=-0.000662 (180deg=-0.0633) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0.496 K(o=0.5,f=-5.6!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 165:sc= 0.528 USER MOD Single : A 26 HIS : no HD1:sc= -0.625 X(o=-0.63,f=-0.87) USER MOD Single : A 31 SER OG : rot 180:sc= -0.0302 USER MOD Single : A 32 SER OG : rot 180:sc= 0.0234 USER MOD Single : A 33 TYR OH : rot 163:sc= -3.02! USER MOD Single : A 36 MET CE :methyl 151:sc= -0.0654 (180deg=-0.685) USER MOD Single : A 39 MET CE :methyl 155:sc= -0.182 (180deg=-0.815) 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= -0.407 X(o=-0.41,f=0) USER MOD Single : A 48 GLN :FLIP amide:sc= -1.16 F(o=-2.6,f=-1.2) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 8:sc= -5.63! USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 75 N THR A 6 3.340 -2.732 -7.915 1.00 0.00 N ATOM 76 CA THR A 6 4.005 -2.787 -6.617 1.00 0.00 C ATOM 77 C THR A 6 3.935 -1.439 -5.903 1.00 0.00 C ATOM 78 O THR A 6 4.919 -0.984 -5.320 1.00 0.00 O ATOM 79 CB THR A 6 5.465 -3.210 -6.790 1.00 0.00 C ATOM 80 OG1 THR A 6 6.191 -2.225 -7.505 1.00 0.00 O ATOM 81 CG2 THR A 6 5.624 -4.522 -7.527 1.00 0.00 C ATOM 0 HA THR A 6 3.486 -3.524 -6.004 1.00 0.00 H new ATOM 0 HB THR A 6 5.853 -3.330 -5.779 1.00 0.00 H new ATOM 0 HG1 THR A 6 5.586 -1.747 -8.109 1.00 0.00 H new ATOM 0 HG21 THR A 6 6.683 -4.764 -7.615 1.00 0.00 H new ATOM 0 HG22 THR A 6 5.116 -5.313 -6.975 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.187 -4.436 -8.522 1.00 0.00 H new ATOM 89 N VAL A 7 2.767 -0.804 -5.950 1.00 0.00 N ATOM 90 CA VAL A 7 2.576 0.489 -5.304 1.00 0.00 C ATOM 91 C VAL A 7 1.140 0.654 -4.820 1.00 0.00 C ATOM 92 O VAL A 7 0.198 0.601 -5.610 1.00 0.00 O ATOM 93 CB VAL A 7 2.916 1.653 -6.253 1.00 0.00 C ATOM 94 CG1 VAL A 7 2.991 2.963 -5.484 1.00 0.00 C ATOM 95 CG2 VAL A 7 4.220 1.382 -6.989 1.00 0.00 C ATOM 0 H VAL A 7 1.941 -1.164 -6.428 1.00 0.00 H new ATOM 0 HA VAL A 7 3.254 0.515 -4.451 1.00 0.00 H new ATOM 0 HB VAL A 7 2.121 1.737 -6.994 1.00 0.00 H new ATOM 0 HG11 VAL A 7 3.232 3.775 -6.170 1.00 0.00 H new ATOM 0 HG12 VAL A 7 2.030 3.162 -5.010 1.00 0.00 H new ATOM 0 HG13 VAL A 7 3.765 2.892 -4.720 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.442 2.216 -7.654 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.029 1.268 -6.267 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.124 0.467 -7.574 1.00 0.00 H new ATOM 105 N LEU A 8 0.983 0.857 -3.518 1.00 0.00 N ATOM 106 CA LEU A 8 -0.338 1.033 -2.927 1.00 0.00 C ATOM 107 C LEU A 8 -0.738 2.506 -2.921 1.00 0.00 C ATOM 108 O LEU A 8 0.091 3.382 -2.674 1.00 0.00 O ATOM 109 CB LEU A 8 -0.364 0.474 -1.502 1.00 0.00 C ATOM 110 CG LEU A 8 -1.614 -0.332 -1.144 1.00 0.00 C ATOM 111 CD1 LEU A 8 -2.872 0.466 -1.452 1.00 0.00 C ATOM 112 CD2 LEU A 8 -1.624 -1.657 -1.892 1.00 0.00 C ATOM 0 H LEU A 8 1.753 0.904 -2.851 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.057 0.483 -3.534 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.511 -0.160 -1.361 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.272 1.304 -0.801 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.595 -0.540 -0.074 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.750 -0.124 -1.191 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.869 1.389 -0.872 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.899 0.706 -2.515 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.520 -2.218 -1.626 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.619 -1.469 -2.966 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.740 -2.235 -1.621 1.00 0.00 H new ATOM 124 N ARG A 9 -2.011 2.770 -3.193 1.00 0.00 N ATOM 125 CA ARG A 9 -2.519 4.137 -3.218 1.00 0.00 C ATOM 126 C ARG A 9 -3.991 4.178 -2.822 1.00 0.00 C ATOM 127 O ARG A 9 -4.769 3.299 -3.195 1.00 0.00 O ATOM 128 CB ARG A 9 -2.334 4.746 -4.609 1.00 0.00 C ATOM 129 CG ARG A 9 -0.902 4.683 -5.114 1.00 0.00 C ATOM 130 CD ARG A 9 -0.658 5.695 -6.222 1.00 0.00 C ATOM 131 NE ARG A 9 0.423 5.280 -7.114 1.00 0.00 N ATOM 132 CZ ARG A 9 0.915 6.043 -8.087 1.00 0.00 C ATOM 133 NH1 ARG A 9 0.427 7.259 -8.298 1.00 0.00 N ATOM 134 NH2 ARG A 9 1.898 5.588 -8.852 1.00 0.00 N ATOM 0 H ARG A 9 -2.710 2.056 -3.399 1.00 0.00 H new ATOM 0 HA ARG A 9 -1.952 4.723 -2.495 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.982 4.225 -5.314 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -2.657 5.787 -4.587 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -0.215 4.872 -4.289 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.689 3.680 -5.483 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -1.573 5.829 -6.799 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.414 6.662 -5.782 1.00 0.00 H new ATOM 0 HE ARG A 9 0.824 4.351 -6.983 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -0.329 7.614 -7.713 1.00 0.00 H new ATOM 0 HH12 ARG A 9 0.808 7.839 -9.045 1.00 0.00 H new ATOM 0 HH21 ARG A 9 2.276 4.654 -8.694 1.00 0.00 H new ATOM 0 HH22 ARG A 9 2.276 6.172 -9.598 1.00 0.00 H new ATOM 148 N SER A 10 -4.367 5.203 -2.065 1.00 0.00 N ATOM 149 CA SER A 10 -5.746 5.358 -1.617 1.00 0.00 C ATOM 150 C SER A 10 -6.669 5.673 -2.793 1.00 0.00 C ATOM 151 O SER A 10 -6.272 6.353 -3.739 1.00 0.00 O ATOM 152 CB SER A 10 -5.841 6.467 -0.567 1.00 0.00 C ATOM 153 OG SER A 10 -4.774 7.389 -0.700 1.00 0.00 O ATOM 0 H SER A 10 -3.736 5.939 -1.749 1.00 0.00 H new ATOM 0 HA SER A 10 -6.065 4.416 -1.171 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.792 6.989 -0.671 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.825 6.029 0.431 1.00 0.00 H new ATOM 0 HG SER A 10 -5.098 8.202 -1.141 1.00 0.00 H new ATOM 159 N PRO A 11 -7.920 5.181 -2.748 1.00 0.00 N ATOM 160 CA PRO A 11 -8.898 5.415 -3.814 1.00 0.00 C ATOM 161 C PRO A 11 -9.441 6.840 -3.801 1.00 0.00 C ATOM 162 O PRO A 11 -9.771 7.399 -4.847 1.00 0.00 O ATOM 163 CB PRO A 11 -10.010 4.417 -3.493 1.00 0.00 C ATOM 164 CG PRO A 11 -9.934 4.231 -2.017 1.00 0.00 C ATOM 165 CD PRO A 11 -8.478 4.360 -1.655 1.00 0.00 C ATOM 0 HA PRO A 11 -8.462 5.288 -4.805 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.985 4.800 -3.795 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -9.861 3.474 -4.019 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -10.532 4.980 -1.498 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -10.323 3.255 -1.726 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -8.347 4.841 -0.685 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -7.992 3.386 -1.596 1.00 0.00 H new ATOM 173 N SER A 12 -9.530 7.423 -2.610 1.00 0.00 N ATOM 174 CA SER A 12 -10.033 8.784 -2.461 1.00 0.00 C ATOM 175 C SER A 12 -9.450 9.446 -1.216 1.00 0.00 C ATOM 176 O SER A 12 -8.612 8.866 -0.526 1.00 0.00 O ATOM 177 CB SER A 12 -11.560 8.779 -2.382 1.00 0.00 C ATOM 178 OG SER A 12 -12.006 8.306 -1.123 1.00 0.00 O ATOM 0 H SER A 12 -9.261 6.975 -1.734 1.00 0.00 H new ATOM 0 HA SER A 12 -9.723 9.357 -3.335 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.939 9.787 -2.550 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.966 8.150 -3.174 1.00 0.00 H new ATOM 0 HG SER A 12 -12.986 8.315 -1.099 1.00 0.00 H new ATOM 184 N ALA A 13 -9.899 10.665 -0.936 1.00 0.00 N ATOM 185 CA ALA A 13 -9.423 11.408 0.224 1.00 0.00 C ATOM 186 C ALA A 13 -10.045 10.876 1.511 1.00 0.00 C ATOM 187 O ALA A 13 -11.267 10.834 1.651 1.00 0.00 O ATOM 188 CB ALA A 13 -9.726 12.890 0.062 1.00 0.00 C ATOM 0 H ALA A 13 -10.592 11.159 -1.497 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.343 11.274 0.292 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.365 13.433 0.936 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -9.228 13.268 -0.831 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.802 13.033 -0.035 1.00 0.00 H new ATOM 194 N GLY A 14 -9.195 10.472 2.450 1.00 0.00 N ATOM 195 CA GLY A 14 -9.679 9.949 3.714 1.00 0.00 C ATOM 196 C GLY A 14 -8.722 10.222 4.858 1.00 0.00 C ATOM 197 O GLY A 14 -8.151 11.308 4.953 1.00 0.00 O ATOM 0 H GLY A 14 -8.180 10.498 2.358 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.648 10.394 3.941 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -9.835 8.874 3.623 1.00 0.00 H new ATOM 201 N LYS A 15 -8.548 9.233 5.729 1.00 0.00 N ATOM 202 CA LYS A 15 -7.654 9.371 6.873 1.00 0.00 C ATOM 203 C LYS A 15 -7.294 8.006 7.450 1.00 0.00 C ATOM 204 O LYS A 15 -8.133 7.108 7.511 1.00 0.00 O ATOM 205 CB LYS A 15 -8.303 10.240 7.952 1.00 0.00 C ATOM 206 CG LYS A 15 -7.320 10.758 8.989 1.00 0.00 C ATOM 207 CD LYS A 15 -7.317 9.891 10.237 1.00 0.00 C ATOM 208 CE LYS A 15 -8.349 10.365 11.248 1.00 0.00 C ATOM 209 NZ LYS A 15 -7.914 11.607 11.945 1.00 0.00 N ATOM 0 H LYS A 15 -9.014 8.328 5.664 1.00 0.00 H new ATOM 0 HA LYS A 15 -6.738 9.853 6.531 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -8.796 11.087 7.476 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -9.078 9.662 8.455 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.318 10.784 8.561 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.579 11.782 9.257 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -7.523 8.856 9.963 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.326 9.909 10.691 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.297 10.546 10.741 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.525 9.579 11.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.537 11.785 12.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.935 11.494 12.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -7.966 12.411 11.287 1.00 0.00 H new ATOM 223 N LEU A 16 -6.042 7.857 7.872 1.00 0.00 N ATOM 224 CA LEU A 16 -5.571 6.601 8.443 1.00 0.00 C ATOM 225 C LEU A 16 -6.233 6.334 9.792 1.00 0.00 C ATOM 226 O LEU A 16 -5.793 6.844 10.822 1.00 0.00 O ATOM 227 CB LEU A 16 -4.050 6.632 8.609 1.00 0.00 C ATOM 228 CG LEU A 16 -3.387 5.267 8.807 1.00 0.00 C ATOM 229 CD1 LEU A 16 -3.837 4.291 7.730 1.00 0.00 C ATOM 230 CD2 LEU A 16 -1.873 5.407 8.802 1.00 0.00 C ATOM 0 H LEU A 16 -5.335 8.591 7.829 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.841 5.796 7.759 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -3.614 7.105 7.729 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.807 7.263 9.464 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.694 4.872 9.775 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.354 3.327 7.888 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.919 4.168 7.780 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.560 4.678 6.749 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.417 4.427 8.944 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.549 5.823 7.848 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.566 6.071 9.610 1.00 0.00 H new ATOM 242 N THR A 17 -7.295 5.534 9.778 1.00 0.00 N ATOM 243 CA THR A 17 -8.018 5.203 11.001 1.00 0.00 C ATOM 244 C THR A 17 -7.255 4.175 11.833 1.00 0.00 C ATOM 245 O THR A 17 -7.176 4.291 13.056 1.00 0.00 O ATOM 246 CB THR A 17 -9.415 4.675 10.667 1.00 0.00 C ATOM 247 OG1 THR A 17 -10.178 4.494 11.847 1.00 0.00 O ATOM 248 CG2 THR A 17 -9.397 3.356 9.926 1.00 0.00 C ATOM 0 H THR A 17 -7.673 5.104 8.934 1.00 0.00 H new ATOM 0 HA THR A 17 -8.113 6.115 11.591 1.00 0.00 H new ATOM 0 HB THR A 17 -9.861 5.430 10.019 1.00 0.00 H new ATOM 0 HG1 THR A 17 -11.068 4.158 11.613 1.00 0.00 H new ATOM 0 HG21 THR A 17 -10.420 3.040 9.721 1.00 0.00 H new ATOM 0 HG22 THR A 17 -8.858 3.474 8.986 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.900 2.602 10.537 1.00 0.00 H new ATOM 256 N GLN A 18 -6.699 3.166 11.167 1.00 0.00 N ATOM 257 CA GLN A 18 -5.949 2.120 11.855 1.00 0.00 C ATOM 258 C GLN A 18 -5.143 1.283 10.863 1.00 0.00 C ATOM 259 O GLN A 18 -4.922 1.696 9.724 1.00 0.00 O ATOM 260 CB GLN A 18 -6.906 1.227 12.651 1.00 0.00 C ATOM 261 CG GLN A 18 -6.623 1.210 14.145 1.00 0.00 C ATOM 262 CD GLN A 18 -5.178 0.874 14.462 1.00 0.00 C ATOM 263 OE1 GLN A 18 -4.614 -0.072 13.913 1.00 0.00 O ATOM 264 NE2 GLN A 18 -4.572 1.650 15.353 1.00 0.00 N ATOM 0 H GLN A 18 -6.754 3.051 10.155 1.00 0.00 H new ATOM 0 HA GLN A 18 -5.249 2.594 12.543 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -7.928 1.568 12.487 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.844 0.209 12.266 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -6.867 2.185 14.568 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -7.275 0.481 14.626 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.078 2.424 15.783 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -3.600 1.472 15.607 1.00 0.00 H new ATOM 273 N TYR A 19 -4.703 0.106 11.302 1.00 0.00 N ATOM 274 CA TYR A 19 -3.921 -0.785 10.452 1.00 0.00 C ATOM 275 C TYR A 19 -4.162 -2.244 10.827 1.00 0.00 C ATOM 276 O TYR A 19 -4.284 -2.581 12.004 1.00 0.00 O ATOM 277 CB TYR A 19 -2.432 -0.456 10.568 1.00 0.00 C ATOM 278 CG TYR A 19 -1.906 -0.517 11.984 1.00 0.00 C ATOM 279 CD1 TYR A 19 -1.443 -1.711 12.523 1.00 0.00 C ATOM 280 CD2 TYR A 19 -1.873 0.619 12.783 1.00 0.00 C ATOM 281 CE1 TYR A 19 -0.962 -1.771 13.817 1.00 0.00 C ATOM 282 CE2 TYR A 19 -1.393 0.568 14.078 1.00 0.00 C ATOM 283 CZ TYR A 19 -0.939 -0.629 14.590 1.00 0.00 C ATOM 284 OH TYR A 19 -0.460 -0.684 15.879 1.00 0.00 O ATOM 0 H TYR A 19 -4.875 -0.252 12.242 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.240 -0.636 9.420 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.866 -1.152 9.949 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.257 0.542 10.167 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -1.459 -2.607 11.921 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -2.229 1.558 12.385 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -0.606 -2.707 14.221 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.374 1.461 14.686 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.512 0.206 16.285 1.00 0.00 H new ATOM 294 N THR A 20 -4.233 -3.104 9.816 1.00 0.00 N ATOM 295 CA THR A 20 -4.465 -4.528 10.036 1.00 0.00 C ATOM 296 C THR A 20 -3.152 -5.310 10.066 1.00 0.00 C ATOM 297 O THR A 20 -3.119 -6.461 10.502 1.00 0.00 O ATOM 298 CB THR A 20 -5.378 -5.090 8.944 1.00 0.00 C ATOM 299 OG1 THR A 20 -4.664 -5.261 7.733 1.00 0.00 O ATOM 300 CG2 THR A 20 -6.573 -4.209 8.652 1.00 0.00 C ATOM 0 H THR A 20 -4.133 -2.840 8.836 1.00 0.00 H new ATOM 0 HA THR A 20 -4.949 -4.639 11.006 1.00 0.00 H new ATOM 0 HB THR A 20 -5.736 -6.045 9.329 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.181 -5.831 7.126 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.179 -4.665 7.869 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.172 -4.097 9.556 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.230 -3.229 8.321 1.00 0.00 H new ATOM 308 N VAL A 21 -2.074 -4.686 9.599 1.00 0.00 N ATOM 309 CA VAL A 21 -0.770 -5.338 9.576 1.00 0.00 C ATOM 310 C VAL A 21 0.360 -4.326 9.735 1.00 0.00 C ATOM 311 O VAL A 21 0.264 -3.192 9.265 1.00 0.00 O ATOM 312 CB VAL A 21 -0.558 -6.124 8.269 1.00 0.00 C ATOM 313 CG1 VAL A 21 -1.565 -7.259 8.159 1.00 0.00 C ATOM 314 CG2 VAL A 21 -0.653 -5.199 7.065 1.00 0.00 C ATOM 0 H VAL A 21 -2.078 -3.734 9.233 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.752 -6.031 10.417 1.00 0.00 H new ATOM 0 HB VAL A 21 0.442 -6.556 8.286 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.400 -7.803 7.229 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.442 -7.937 9.003 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.576 -6.851 8.166 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.500 -5.774 6.152 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -1.638 -4.734 7.040 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.112 -4.426 7.139 1.00 0.00 H new ATOM 324 N GLU A 22 1.431 -4.746 10.401 1.00 0.00 N ATOM 325 CA GLU A 22 2.583 -3.882 10.625 1.00 0.00 C ATOM 326 C GLU A 22 3.309 -3.589 9.317 1.00 0.00 C ATOM 327 O GLU A 22 2.889 -4.033 8.248 1.00 0.00 O ATOM 328 CB GLU A 22 3.546 -4.532 11.620 1.00 0.00 C ATOM 329 CG GLU A 22 3.990 -5.928 11.211 1.00 0.00 C ATOM 330 CD GLU A 22 5.450 -6.189 11.521 1.00 0.00 C ATOM 331 OE1 GLU A 22 6.238 -5.220 11.528 1.00 0.00 O ATOM 332 OE2 GLU A 22 5.807 -7.363 11.756 1.00 0.00 O ATOM 0 H GLU A 22 1.524 -5.682 10.796 1.00 0.00 H new ATOM 0 HA GLU A 22 2.223 -2.939 11.037 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.425 -3.897 11.730 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.066 -4.584 12.597 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.375 -6.666 11.726 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.820 -6.061 10.143 1.00 0.00 H new ATOM 339 N ASP A 23 4.404 -2.841 9.409 1.00 0.00 N ATOM 340 CA ASP A 23 5.192 -2.490 8.234 1.00 0.00 C ATOM 341 C ASP A 23 5.711 -3.742 7.534 1.00 0.00 C ATOM 342 O ASP A 23 6.383 -4.573 8.145 1.00 0.00 O ATOM 343 CB ASP A 23 6.364 -1.590 8.630 1.00 0.00 C ATOM 344 CG ASP A 23 7.307 -2.265 9.606 1.00 0.00 C ATOM 345 OD1 ASP A 23 6.854 -2.639 10.708 1.00 0.00 O ATOM 346 OD2 ASP A 23 8.500 -2.419 9.269 1.00 0.00 O ATOM 0 H ASP A 23 4.766 -2.466 10.286 1.00 0.00 H new ATOM 0 HA ASP A 23 4.546 -1.950 7.542 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.916 -1.303 7.735 1.00 0.00 H new ATOM 0 HB3 ASP A 23 5.980 -0.673 9.076 1.00 0.00 H new ATOM 351 N GLY A 24 5.394 -3.870 6.250 1.00 0.00 N ATOM 352 CA GLY A 24 5.836 -5.024 5.489 1.00 0.00 C ATOM 353 C GLY A 24 5.029 -6.269 5.803 1.00 0.00 C ATOM 354 O GLY A 24 5.530 -7.387 5.689 1.00 0.00 O ATOM 0 H GLY A 24 4.839 -3.196 5.723 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.760 -4.804 4.424 1.00 0.00 H new ATOM 0 HA3 GLY A 24 6.888 -5.214 5.701 1.00 0.00 H new ATOM 358 N GLY A 25 3.775 -6.074 6.199 1.00 0.00 N ATOM 359 CA GLY A 25 2.916 -7.198 6.524 1.00 0.00 C ATOM 360 C GLY A 25 2.579 -8.042 5.310 1.00 0.00 C ATOM 361 O GLY A 25 1.963 -7.557 4.361 1.00 0.00 O ATOM 0 H GLY A 25 3.338 -5.158 6.301 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.407 -7.822 7.271 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.994 -6.829 6.973 1.00 0.00 H new ATOM 365 N HIS A 26 2.983 -9.308 5.340 1.00 0.00 N ATOM 366 CA HIS A 26 2.720 -10.222 4.234 1.00 0.00 C ATOM 367 C HIS A 26 1.222 -10.412 4.027 1.00 0.00 C ATOM 368 O HIS A 26 0.517 -10.886 4.919 1.00 0.00 O ATOM 369 CB HIS A 26 3.387 -11.574 4.492 1.00 0.00 C ATOM 370 CG HIS A 26 3.012 -12.184 5.807 1.00 0.00 C ATOM 371 ND1 HIS A 26 3.716 -11.956 6.971 1.00 0.00 N ATOM 372 CD2 HIS A 26 1.999 -13.020 6.139 1.00 0.00 C ATOM 373 CE1 HIS A 26 3.153 -12.625 7.961 1.00 0.00 C ATOM 374 NE2 HIS A 26 2.109 -13.277 7.484 1.00 0.00 N ATOM 0 H HIS A 26 3.494 -9.724 6.118 1.00 0.00 H new ATOM 0 HA HIS A 26 3.140 -9.785 3.328 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.117 -12.262 3.691 1.00 0.00 H new ATOM 0 HB3 HIS A 26 4.469 -11.449 4.454 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.246 -13.411 5.471 1.00 0.00 H new ATOM 0 HE1 HIS A 26 3.490 -12.637 8.987 1.00 0.00 H new ATOM 0 HE2 HIS A 26 1.485 -13.875 8.026 1.00 0.00 H new ATOM 383 N VAL A 27 0.741 -10.039 2.846 1.00 0.00 N ATOM 384 CA VAL A 27 -0.676 -10.171 2.523 1.00 0.00 C ATOM 385 C VAL A 27 -0.881 -10.488 1.046 1.00 0.00 C ATOM 386 O VAL A 27 -0.251 -9.884 0.177 1.00 0.00 O ATOM 387 CB VAL A 27 -1.455 -8.889 2.876 1.00 0.00 C ATOM 388 CG1 VAL A 27 -1.367 -8.603 4.367 1.00 0.00 C ATOM 389 CG2 VAL A 27 -0.941 -7.706 2.068 1.00 0.00 C ATOM 0 H VAL A 27 1.310 -9.644 2.097 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.059 -10.997 3.122 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.503 -9.044 2.620 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.923 -7.694 4.597 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -1.792 -9.439 4.923 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.323 -8.471 4.651 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.505 -6.812 2.333 1.00 0.00 H new ATOM 0 HG22 VAL A 27 0.115 -7.547 2.287 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.064 -7.911 1.005 1.00 0.00 H new ATOM 399 N GLU A 28 -1.769 -11.436 0.767 1.00 0.00 N ATOM 400 CA GLU A 28 -2.061 -11.830 -0.606 1.00 0.00 C ATOM 401 C GLU A 28 -3.110 -10.908 -1.221 1.00 0.00 C ATOM 402 O GLU A 28 -3.809 -10.187 -0.509 1.00 0.00 O ATOM 403 CB GLU A 28 -2.544 -13.281 -0.653 1.00 0.00 C ATOM 404 CG GLU A 28 -3.918 -13.487 -0.033 1.00 0.00 C ATOM 405 CD GLU A 28 -3.899 -14.476 1.117 1.00 0.00 C ATOM 406 OE1 GLU A 28 -2.867 -14.553 1.817 1.00 0.00 O ATOM 407 OE2 GLU A 28 -4.916 -15.173 1.317 1.00 0.00 O ATOM 0 H GLU A 28 -2.299 -11.946 1.474 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.143 -11.745 -1.187 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.570 -13.613 -1.691 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.822 -13.912 -0.134 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.299 -12.530 0.323 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.609 -13.840 -0.799 1.00 0.00 H new ATOM 414 N ALA A 29 -3.217 -10.939 -2.546 1.00 0.00 N ATOM 415 CA ALA A 29 -4.184 -10.107 -3.258 1.00 0.00 C ATOM 416 C ALA A 29 -5.570 -10.198 -2.624 1.00 0.00 C ATOM 417 O ALA A 29 -6.125 -11.286 -2.475 1.00 0.00 O ATOM 418 CB ALA A 29 -4.246 -10.509 -4.724 1.00 0.00 C ATOM 0 H ALA A 29 -2.646 -11.531 -3.149 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.852 -9.071 -3.187 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.970 -9.881 -5.243 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.263 -10.381 -5.178 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -4.549 -11.553 -4.802 1.00 0.00 H new ATOM 424 N GLY A 30 -6.123 -9.047 -2.255 1.00 0.00 N ATOM 425 CA GLY A 30 -7.439 -9.020 -1.643 1.00 0.00 C ATOM 426 C GLY A 30 -7.379 -8.850 -0.138 1.00 0.00 C ATOM 427 O GLY A 30 -8.323 -8.350 0.474 1.00 0.00 O ATOM 0 H GLY A 30 -5.684 -8.133 -2.369 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.019 -8.204 -2.074 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.965 -9.945 -1.880 1.00 0.00 H new ATOM 431 N SER A 31 -6.268 -9.267 0.462 1.00 0.00 N ATOM 432 CA SER A 31 -6.093 -9.157 1.905 1.00 0.00 C ATOM 433 C SER A 31 -5.887 -7.704 2.319 1.00 0.00 C ATOM 434 O SER A 31 -4.997 -7.023 1.810 1.00 0.00 O ATOM 435 CB SER A 31 -4.902 -10.003 2.361 1.00 0.00 C ATOM 436 OG SER A 31 -5.227 -11.382 2.362 1.00 0.00 O ATOM 0 H SER A 31 -5.477 -9.684 -0.029 1.00 0.00 H new ATOM 0 HA SER A 31 -6.999 -9.528 2.385 1.00 0.00 H new ATOM 0 HB2 SER A 31 -4.053 -9.827 1.701 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.597 -9.697 3.362 1.00 0.00 H new ATOM 0 HG SER A 31 -4.449 -11.901 2.655 1.00 0.00 H new ATOM 442 N SER A 32 -6.717 -7.235 3.245 1.00 0.00 N ATOM 443 CA SER A 32 -6.627 -5.861 3.726 1.00 0.00 C ATOM 444 C SER A 32 -5.335 -5.639 4.504 1.00 0.00 C ATOM 445 O SER A 32 -4.900 -6.502 5.267 1.00 0.00 O ATOM 446 CB SER A 32 -7.832 -5.527 4.607 1.00 0.00 C ATOM 447 OG SER A 32 -8.144 -6.602 5.476 1.00 0.00 O ATOM 0 H SER A 32 -7.459 -7.786 3.677 1.00 0.00 H new ATOM 0 HA SER A 32 -6.625 -5.199 2.860 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.621 -4.632 5.192 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.694 -5.301 3.979 1.00 0.00 H new ATOM 0 HG SER A 32 -8.917 -6.362 6.029 1.00 0.00 H new ATOM 453 N TYR A 33 -4.725 -4.476 4.302 1.00 0.00 N ATOM 454 CA TYR A 33 -3.479 -4.135 4.981 1.00 0.00 C ATOM 455 C TYR A 33 -3.676 -2.967 5.948 1.00 0.00 C ATOM 456 O TYR A 33 -2.812 -2.686 6.778 1.00 0.00 O ATOM 457 CB TYR A 33 -2.396 -3.788 3.956 1.00 0.00 C ATOM 458 CG TYR A 33 -2.651 -2.493 3.216 1.00 0.00 C ATOM 459 CD1 TYR A 33 -3.403 -2.474 2.049 1.00 0.00 C ATOM 460 CD2 TYR A 33 -2.138 -1.291 3.686 1.00 0.00 C ATOM 461 CE1 TYR A 33 -3.638 -1.293 1.370 1.00 0.00 C ATOM 462 CE2 TYR A 33 -2.369 -0.106 3.014 1.00 0.00 C ATOM 463 CZ TYR A 33 -3.119 -0.112 1.857 1.00 0.00 C ATOM 464 OH TYR A 33 -3.350 1.066 1.185 1.00 0.00 O ATOM 0 H TYR A 33 -5.073 -3.753 3.673 1.00 0.00 H new ATOM 0 HA TYR A 33 -3.163 -5.004 5.558 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -1.434 -3.722 4.465 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.319 -4.600 3.233 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.811 -3.397 1.665 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -1.549 -1.282 4.591 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.225 -1.295 0.463 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.964 0.821 3.393 1.00 0.00 H new ATOM 0 HH TYR A 33 -3.161 1.823 1.778 1.00 0.00 H new ATOM 474 N ALA A 34 -4.814 -2.287 5.834 1.00 0.00 N ATOM 475 CA ALA A 34 -5.117 -1.151 6.695 1.00 0.00 C ATOM 476 C ALA A 34 -6.549 -0.677 6.485 1.00 0.00 C ATOM 477 O ALA A 34 -7.337 -1.332 5.803 1.00 0.00 O ATOM 478 CB ALA A 34 -4.140 -0.016 6.433 1.00 0.00 C ATOM 0 H ALA A 34 -5.541 -2.505 5.153 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.014 -1.471 7.732 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.378 0.826 7.083 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.124 -0.356 6.636 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.216 0.297 5.392 1.00 0.00 H new ATOM 484 N GLU A 35 -6.881 0.464 7.076 1.00 0.00 N ATOM 485 CA GLU A 35 -8.221 1.023 6.954 1.00 0.00 C ATOM 486 C GLU A 35 -8.173 2.546 6.955 1.00 0.00 C ATOM 487 O GLU A 35 -7.170 3.145 7.342 1.00 0.00 O ATOM 488 CB GLU A 35 -9.111 0.530 8.098 1.00 0.00 C ATOM 489 CG GLU A 35 -8.897 -0.933 8.452 1.00 0.00 C ATOM 490 CD GLU A 35 -10.072 -1.529 9.202 1.00 0.00 C ATOM 491 OE1 GLU A 35 -10.859 -0.754 9.785 1.00 0.00 O ATOM 492 OE2 GLU A 35 -10.205 -2.771 9.207 1.00 0.00 O ATOM 0 H GLU A 35 -6.241 1.020 7.644 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.643 0.688 6.006 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.923 1.140 8.982 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.155 0.679 7.824 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.727 -1.503 7.539 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.997 -1.028 9.059 1.00 0.00 H new ATOM 499 N MET A 36 -9.263 3.168 6.521 1.00 0.00 N ATOM 500 CA MET A 36 -9.343 4.622 6.474 1.00 0.00 C ATOM 501 C MET A 36 -10.785 5.094 6.628 1.00 0.00 C ATOM 502 O MET A 36 -11.681 4.623 5.926 1.00 0.00 O ATOM 503 CB MET A 36 -8.757 5.145 5.161 1.00 0.00 C ATOM 504 CG MET A 36 -9.561 4.749 3.933 1.00 0.00 C ATOM 505 SD MET A 36 -8.564 4.713 2.431 1.00 0.00 S ATOM 506 CE MET A 36 -9.103 6.222 1.632 1.00 0.00 C ATOM 0 H MET A 36 -10.103 2.688 6.197 1.00 0.00 H new ATOM 0 HA MET A 36 -8.761 5.020 7.305 1.00 0.00 H new ATOM 0 HB2 MET A 36 -8.695 6.232 5.209 1.00 0.00 H new ATOM 0 HB3 MET A 36 -7.739 4.772 5.054 1.00 0.00 H new ATOM 0 HG2 MET A 36 -10.003 3.766 4.095 1.00 0.00 H new ATOM 0 HG3 MET A 36 -10.384 5.451 3.801 1.00 0.00 H new ATOM 0 HE1 MET A 36 -8.294 6.617 1.018 1.00 0.00 H new ATOM 0 HE2 MET A 36 -9.967 6.012 1.002 1.00 0.00 H new ATOM 0 HE3 MET A 36 -9.376 6.957 2.389 1.00 0.00 H new ATOM 516 N GLU A 37 -11.003 6.024 7.551 1.00 0.00 N ATOM 517 CA GLU A 37 -12.336 6.559 7.797 1.00 0.00 C ATOM 518 C GLU A 37 -12.608 7.771 6.914 1.00 0.00 C ATOM 519 O GLU A 37 -11.810 8.707 6.862 1.00 0.00 O ATOM 520 CB GLU A 37 -12.491 6.943 9.270 1.00 0.00 C ATOM 521 CG GLU A 37 -13.900 7.376 9.641 1.00 0.00 C ATOM 522 CD GLU A 37 -13.952 8.118 10.962 1.00 0.00 C ATOM 523 OE1 GLU A 37 -13.774 9.355 10.956 1.00 0.00 O ATOM 524 OE2 GLU A 37 -14.171 7.464 12.003 1.00 0.00 O ATOM 0 H GLU A 37 -10.273 6.423 8.141 1.00 0.00 H new ATOM 0 HA GLU A 37 -13.061 5.783 7.552 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.206 6.093 9.890 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.799 7.753 9.501 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -14.299 8.015 8.853 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -14.544 6.498 9.696 1.00 0.00 H new ATOM 531 N VAL A 38 -13.740 7.745 6.220 1.00 0.00 N ATOM 532 CA VAL A 38 -14.122 8.837 5.337 1.00 0.00 C ATOM 533 C VAL A 38 -15.633 9.042 5.348 1.00 0.00 C ATOM 534 O VAL A 38 -16.387 8.110 5.615 1.00 0.00 O ATOM 535 CB VAL A 38 -13.654 8.577 3.892 1.00 0.00 C ATOM 536 CG1 VAL A 38 -14.341 7.347 3.315 1.00 0.00 C ATOM 537 CG2 VAL A 38 -13.906 9.798 3.020 1.00 0.00 C ATOM 0 H VAL A 38 -14.410 6.977 6.253 1.00 0.00 H new ATOM 0 HA VAL A 38 -13.634 9.738 5.709 1.00 0.00 H new ATOM 0 HB VAL A 38 -12.581 8.387 3.909 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -13.996 7.183 2.294 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -14.100 6.476 3.924 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -15.420 7.501 3.313 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -13.569 9.595 2.003 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -14.972 10.024 3.010 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -13.358 10.651 3.421 1.00 0.00 H new ATOM 547 N MET A 39 -16.060 10.270 5.053 1.00 0.00 N ATOM 548 CA MET A 39 -17.482 10.632 5.024 1.00 0.00 C ATOM 549 C MET A 39 -18.313 9.830 6.031 1.00 0.00 C ATOM 550 O MET A 39 -19.458 9.473 5.755 1.00 0.00 O ATOM 551 CB MET A 39 -18.044 10.430 3.616 1.00 0.00 C ATOM 552 CG MET A 39 -17.488 11.406 2.593 1.00 0.00 C ATOM 553 SD MET A 39 -18.389 11.365 1.032 1.00 0.00 S ATOM 554 CE MET A 39 -19.988 11.986 1.548 1.00 0.00 C ATOM 0 H MET A 39 -15.433 11.042 4.827 1.00 0.00 H new ATOM 0 HA MET A 39 -17.551 11.682 5.308 1.00 0.00 H new ATOM 0 HB2 MET A 39 -17.828 9.413 3.290 1.00 0.00 H new ATOM 0 HB3 MET A 39 -19.129 10.530 3.649 1.00 0.00 H new ATOM 0 HG2 MET A 39 -17.524 12.415 3.003 1.00 0.00 H new ATOM 0 HG3 MET A 39 -16.439 11.175 2.409 1.00 0.00 H new ATOM 0 HE1 MET A 39 -20.497 12.434 0.695 1.00 0.00 H new ATOM 0 HE2 MET A 39 -20.589 11.165 1.939 1.00 0.00 H new ATOM 0 HE3 MET A 39 -19.853 12.738 2.325 1.00 0.00 H new ATOM 564 N LYS A 40 -17.730 9.564 7.202 1.00 0.00 N ATOM 565 CA LYS A 40 -18.411 8.821 8.270 1.00 0.00 C ATOM 566 C LYS A 40 -18.386 7.307 8.036 1.00 0.00 C ATOM 567 O LYS A 40 -18.547 6.530 8.976 1.00 0.00 O ATOM 568 CB LYS A 40 -19.860 9.295 8.423 1.00 0.00 C ATOM 569 CG LYS A 40 -20.020 10.806 8.360 1.00 0.00 C ATOM 570 CD LYS A 40 -20.369 11.390 9.720 1.00 0.00 C ATOM 571 CE LYS A 40 -19.907 12.833 9.841 1.00 0.00 C ATOM 572 NZ LYS A 40 -21.007 13.794 9.554 1.00 0.00 N ATOM 0 H LYS A 40 -16.781 9.854 7.438 1.00 0.00 H new ATOM 0 HA LYS A 40 -17.862 9.025 9.189 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -20.466 8.842 7.638 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -20.251 8.937 9.375 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -19.096 11.255 7.997 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -20.801 11.060 7.643 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -21.447 11.338 9.874 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -19.906 10.791 10.504 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -19.525 13.009 10.847 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -19.082 13.009 9.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -20.651 14.767 9.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -21.355 13.644 8.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -21.784 13.644 10.229 1.00 0.00 H new ATOM 586 N MET A 41 -18.189 6.888 6.789 1.00 0.00 N ATOM 587 CA MET A 41 -18.153 5.468 6.460 1.00 0.00 C ATOM 588 C MET A 41 -16.733 4.919 6.546 1.00 0.00 C ATOM 589 O MET A 41 -15.786 5.535 6.057 1.00 0.00 O ATOM 590 CB MET A 41 -18.718 5.233 5.058 1.00 0.00 C ATOM 591 CG MET A 41 -19.549 3.966 4.942 1.00 0.00 C ATOM 592 SD MET A 41 -21.212 4.162 5.612 1.00 0.00 S ATOM 593 CE MET A 41 -21.836 2.490 5.462 1.00 0.00 C ATOM 0 H MET A 41 -18.052 7.510 5.992 1.00 0.00 H new ATOM 0 HA MET A 41 -18.769 4.940 7.188 1.00 0.00 H new ATOM 0 HB2 MET A 41 -19.332 6.088 4.775 1.00 0.00 H new ATOM 0 HB3 MET A 41 -17.894 5.183 4.347 1.00 0.00 H new ATOM 0 HG2 MET A 41 -19.616 3.675 3.894 1.00 0.00 H new ATOM 0 HG3 MET A 41 -19.043 3.155 5.467 1.00 0.00 H new ATOM 0 HE1 MET A 41 -22.859 2.448 5.837 1.00 0.00 H new ATOM 0 HE2 MET A 41 -21.821 2.189 4.415 1.00 0.00 H new ATOM 0 HE3 MET A 41 -21.209 1.814 6.043 1.00 0.00 H new ATOM 603 N ILE A 42 -16.595 3.752 7.168 1.00 0.00 N ATOM 604 CA ILE A 42 -15.294 3.111 7.317 1.00 0.00 C ATOM 605 C ILE A 42 -14.927 2.326 6.061 1.00 0.00 C ATOM 606 O ILE A 42 -15.802 1.840 5.344 1.00 0.00 O ATOM 607 CB ILE A 42 -15.276 2.162 8.533 1.00 0.00 C ATOM 608 CG1 ILE A 42 -13.906 1.493 8.678 1.00 0.00 C ATOM 609 CG2 ILE A 42 -16.370 1.113 8.400 1.00 0.00 C ATOM 610 CD1 ILE A 42 -12.769 2.473 8.869 1.00 0.00 C ATOM 0 H ILE A 42 -17.370 3.231 7.577 1.00 0.00 H new ATOM 0 HA ILE A 42 -14.560 3.902 7.474 1.00 0.00 H new ATOM 0 HB ILE A 42 -15.464 2.750 9.431 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -13.933 0.811 9.528 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -13.710 0.890 7.791 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -16.346 0.450 9.265 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -17.341 1.605 8.347 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -16.208 0.531 7.493 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -11.830 1.927 8.964 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -12.715 3.140 8.009 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -12.941 3.059 9.772 1.00 0.00 H new ATOM 622 N MET A 43 -13.629 2.206 5.800 1.00 0.00 N ATOM 623 CA MET A 43 -13.152 1.479 4.630 1.00 0.00 C ATOM 624 C MET A 43 -11.855 0.737 4.938 1.00 0.00 C ATOM 625 O MET A 43 -11.086 1.144 5.809 1.00 0.00 O ATOM 626 CB MET A 43 -12.939 2.438 3.458 1.00 0.00 C ATOM 627 CG MET A 43 -14.214 2.762 2.697 1.00 0.00 C ATOM 628 SD MET A 43 -14.045 4.215 1.643 1.00 0.00 S ATOM 629 CE MET A 43 -15.763 4.591 1.306 1.00 0.00 C ATOM 0 H MET A 43 -12.891 2.602 6.382 1.00 0.00 H new ATOM 0 HA MET A 43 -13.911 0.746 4.357 1.00 0.00 H new ATOM 0 HB2 MET A 43 -12.504 3.365 3.832 1.00 0.00 H new ATOM 0 HB3 MET A 43 -12.216 2.002 2.769 1.00 0.00 H new ATOM 0 HG2 MET A 43 -14.495 1.905 2.085 1.00 0.00 H new ATOM 0 HG3 MET A 43 -15.025 2.926 3.407 1.00 0.00 H new ATOM 0 HE1 MET A 43 -15.824 5.469 0.663 1.00 0.00 H new ATOM 0 HE2 MET A 43 -16.230 3.742 0.806 1.00 0.00 H new ATOM 0 HE3 MET A 43 -16.282 4.791 2.243 1.00 0.00 H new ATOM 639 N THR A 44 -11.621 -0.356 4.217 1.00 0.00 N ATOM 640 CA THR A 44 -10.418 -1.159 4.411 1.00 0.00 C ATOM 641 C THR A 44 -9.589 -1.215 3.132 1.00 0.00 C ATOM 642 O THR A 44 -10.107 -1.519 2.058 1.00 0.00 O ATOM 643 CB THR A 44 -10.789 -2.578 4.853 1.00 0.00 C ATOM 644 OG1 THR A 44 -12.165 -2.661 5.180 1.00 0.00 O ATOM 645 CG2 THR A 44 -10.003 -3.055 6.055 1.00 0.00 C ATOM 0 H THR A 44 -12.249 -0.706 3.493 1.00 0.00 H new ATOM 0 HA THR A 44 -9.821 -0.687 5.191 1.00 0.00 H new ATOM 0 HB THR A 44 -10.547 -3.216 4.003 1.00 0.00 H new ATOM 0 HG1 THR A 44 -12.381 -3.576 5.458 1.00 0.00 H new ATOM 0 HG21 THR A 44 -10.315 -4.066 6.315 1.00 0.00 H new ATOM 0 HG22 THR A 44 -8.939 -3.053 5.818 1.00 0.00 H new ATOM 0 HG23 THR A 44 -10.188 -2.390 6.898 1.00 0.00 H new ATOM 653 N LEU A 45 -8.299 -0.926 3.257 1.00 0.00 N ATOM 654 CA LEU A 45 -7.397 -0.950 2.111 1.00 0.00 C ATOM 655 C LEU A 45 -6.735 -2.317 1.977 1.00 0.00 C ATOM 656 O LEU A 45 -6.270 -2.890 2.962 1.00 0.00 O ATOM 657 CB LEU A 45 -6.330 0.137 2.252 1.00 0.00 C ATOM 658 CG LEU A 45 -6.871 1.559 2.411 1.00 0.00 C ATOM 659 CD1 LEU A 45 -7.103 1.880 3.879 1.00 0.00 C ATOM 660 CD2 LEU A 45 -5.916 2.565 1.787 1.00 0.00 C ATOM 0 H LEU A 45 -7.854 -0.673 4.139 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.981 -0.757 1.211 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.707 -0.097 3.115 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.684 0.106 1.375 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.827 1.625 1.891 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.488 2.895 3.973 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.826 1.178 4.295 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.162 1.797 4.423 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.317 3.571 1.909 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.945 2.499 2.279 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.801 2.347 0.725 1.00 0.00 H new ATOM 672 N ASN A 46 -6.698 -2.836 0.755 1.00 0.00 N ATOM 673 CA ASN A 46 -6.094 -4.140 0.497 1.00 0.00 C ATOM 674 C ASN A 46 -5.122 -4.068 -0.676 1.00 0.00 C ATOM 675 O ASN A 46 -5.004 -3.036 -1.336 1.00 0.00 O ATOM 676 CB ASN A 46 -7.175 -5.190 0.216 1.00 0.00 C ATOM 677 CG ASN A 46 -8.374 -4.618 -0.517 1.00 0.00 C ATOM 678 OD1 ASN A 46 -9.502 -4.680 -0.029 1.00 0.00 O ATOM 679 ND2 ASN A 46 -8.134 -4.057 -1.697 1.00 0.00 N ATOM 0 H ASN A 46 -7.078 -2.376 -0.072 1.00 0.00 H new ATOM 0 HA ASN A 46 -5.540 -4.434 1.389 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -6.745 -5.998 -0.376 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -7.505 -5.626 1.159 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -8.901 -3.656 -2.236 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -7.183 -4.028 -2.064 1.00 0.00 H new ATOM 686 N VAL A 47 -4.428 -5.173 -0.929 1.00 0.00 N ATOM 687 CA VAL A 47 -3.465 -5.238 -2.022 1.00 0.00 C ATOM 688 C VAL A 47 -4.111 -5.785 -3.290 1.00 0.00 C ATOM 689 O VAL A 47 -5.052 -6.576 -3.228 1.00 0.00 O ATOM 690 CB VAL A 47 -2.257 -6.119 -1.655 1.00 0.00 C ATOM 691 CG1 VAL A 47 -1.391 -5.432 -0.612 1.00 0.00 C ATOM 692 CG2 VAL A 47 -2.721 -7.481 -1.161 1.00 0.00 C ATOM 0 H VAL A 47 -4.515 -6.036 -0.392 1.00 0.00 H new ATOM 0 HA VAL A 47 -3.121 -4.219 -2.202 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.654 -6.269 -2.551 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.543 -6.070 -0.366 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.028 -4.483 -1.008 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.980 -5.249 0.287 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.854 -8.090 -0.906 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.347 -7.354 -0.278 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.295 -7.976 -1.944 1.00 0.00 H new ATOM 702 N GLN A 48 -3.599 -5.359 -4.440 1.00 0.00 N ATOM 703 CA GLN A 48 -4.126 -5.808 -5.724 1.00 0.00 C ATOM 704 C GLN A 48 -3.490 -7.129 -6.156 1.00 0.00 C ATOM 705 O GLN A 48 -3.980 -7.792 -7.070 1.00 0.00 O ATOM 706 CB GLN A 48 -3.902 -4.736 -6.798 1.00 0.00 C ATOM 707 CG GLN A 48 -2.454 -4.599 -7.250 1.00 0.00 C ATOM 708 CD GLN A 48 -1.624 -3.749 -6.308 1.00 0.00 C ATOM 709 OE1 GLN A 48 -0.789 -4.400 -5.505 1.00 0.00 O flip ATOM 710 NE2 GLN A 48 -1.731 -2.523 -6.301 1.00 0.00 N flip ATOM 0 H GLN A 48 -2.820 -4.704 -4.509 1.00 0.00 H new ATOM 0 HA GLN A 48 -5.197 -5.973 -5.605 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.521 -4.970 -7.664 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -4.243 -3.775 -6.413 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -2.007 -5.590 -7.328 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.429 -4.159 -8.247 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -2.385 -2.065 -6.935 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -1.165 -1.965 -5.661 1.00 0.00 H new ATOM 719 N GLU A 49 -2.398 -7.507 -5.497 1.00 0.00 N ATOM 720 CA GLU A 49 -1.704 -8.748 -5.821 1.00 0.00 C ATOM 721 C GLU A 49 -0.935 -9.274 -4.615 1.00 0.00 C ATOM 722 O GLU A 49 -0.899 -8.637 -3.562 1.00 0.00 O ATOM 723 CB GLU A 49 -0.747 -8.529 -6.994 1.00 0.00 C ATOM 724 CG GLU A 49 -1.450 -8.380 -8.334 1.00 0.00 C ATOM 725 CD GLU A 49 -0.522 -8.619 -9.509 1.00 0.00 C ATOM 726 OE1 GLU A 49 0.103 -9.698 -9.561 1.00 0.00 O ATOM 727 OE2 GLU A 49 -0.422 -7.727 -10.377 1.00 0.00 O ATOM 0 H GLU A 49 -1.976 -6.973 -4.737 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.452 -9.489 -6.103 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.152 -7.636 -6.804 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.054 -9.369 -7.048 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.282 -9.083 -8.384 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.874 -7.379 -8.408 1.00 0.00 H new ATOM 734 N ARG A 50 -0.322 -10.442 -4.775 1.00 0.00 N ATOM 735 CA ARG A 50 0.447 -11.057 -3.700 1.00 0.00 C ATOM 736 C ARG A 50 1.709 -10.253 -3.406 1.00 0.00 C ATOM 737 O ARG A 50 2.417 -9.834 -4.321 1.00 0.00 O ATOM 738 CB ARG A 50 0.817 -12.495 -4.067 1.00 0.00 C ATOM 739 CG ARG A 50 -0.275 -13.504 -3.752 1.00 0.00 C ATOM 740 CD ARG A 50 -1.362 -13.497 -4.814 1.00 0.00 C ATOM 741 NE ARG A 50 -0.954 -14.214 -6.020 1.00 0.00 N ATOM 742 CZ ARG A 50 -0.819 -15.536 -6.086 1.00 0.00 C ATOM 743 NH1 ARG A 50 -1.059 -16.289 -5.019 1.00 0.00 N ATOM 744 NH2 ARG A 50 -0.444 -16.108 -7.222 1.00 0.00 N ATOM 0 H ARG A 50 -0.343 -10.982 -5.640 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.172 -11.067 -2.803 1.00 0.00 H new ATOM 0 HB2 ARG A 50 1.047 -12.542 -5.131 1.00 0.00 H new ATOM 0 HB3 ARG A 50 1.724 -12.776 -3.532 1.00 0.00 H new ATOM 0 HG2 ARG A 50 0.159 -14.501 -3.681 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.713 -13.277 -2.780 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -2.266 -13.952 -4.410 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -1.611 -12.467 -5.071 1.00 0.00 H new ATOM 0 HE ARG A 50 -0.761 -13.669 -6.860 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -1.349 -15.854 -4.143 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -0.954 -17.302 -5.076 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.259 -15.535 -8.045 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.340 -17.121 -7.273 1.00 0.00 H new ATOM 758 N GLY A 51 1.985 -10.043 -2.123 1.00 0.00 N ATOM 759 CA GLY A 51 3.161 -9.290 -1.732 1.00 0.00 C ATOM 760 C GLY A 51 3.029 -8.689 -0.347 1.00 0.00 C ATOM 761 O GLY A 51 1.957 -8.732 0.256 1.00 0.00 O ATOM 0 H GLY A 51 1.415 -10.381 -1.348 1.00 0.00 H new ATOM 0 HA2 GLY A 51 4.033 -9.943 -1.760 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.336 -8.494 -2.455 1.00 0.00 H new ATOM 765 N ARG A 52 4.122 -8.127 0.159 1.00 0.00 N ATOM 766 CA ARG A 52 4.122 -7.516 1.481 1.00 0.00 C ATOM 767 C ARG A 52 3.856 -6.018 1.392 1.00 0.00 C ATOM 768 O ARG A 52 4.482 -5.312 0.602 1.00 0.00 O ATOM 769 CB ARG A 52 5.455 -7.771 2.180 1.00 0.00 C ATOM 770 CG ARG A 52 5.464 -9.051 2.995 1.00 0.00 C ATOM 771 CD ARG A 52 6.877 -9.533 3.255 1.00 0.00 C ATOM 772 NE ARG A 52 7.587 -9.845 2.017 1.00 0.00 N ATOM 773 CZ ARG A 52 7.317 -10.901 1.253 1.00 0.00 C ATOM 774 NH1 ARG A 52 6.356 -11.749 1.597 1.00 0.00 N ATOM 775 NH2 ARG A 52 8.011 -11.111 0.143 1.00 0.00 N ATOM 0 H ARG A 52 5.018 -8.083 -0.327 1.00 0.00 H new ATOM 0 HA ARG A 52 3.321 -7.970 2.064 1.00 0.00 H new ATOM 0 HB2 ARG A 52 6.247 -7.817 1.433 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.682 -6.929 2.834 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.955 -8.883 3.944 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.906 -9.824 2.467 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.425 -8.768 3.804 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.847 -10.420 3.888 1.00 0.00 H new ATOM 0 HE ARG A 52 8.334 -9.217 1.721 1.00 0.00 H new ATOM 0 HH11 ARG A 52 5.820 -11.593 2.451 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.153 -12.557 1.008 1.00 0.00 H new ATOM 0 HH21 ARG A 52 8.752 -10.463 -0.125 1.00 0.00 H new ATOM 0 HH22 ARG A 52 7.804 -11.920 -0.442 1.00 0.00 H new ATOM 789 N VAL A 53 2.921 -5.540 2.207 1.00 0.00 N ATOM 790 CA VAL A 53 2.570 -4.126 2.219 1.00 0.00 C ATOM 791 C VAL A 53 3.553 -3.323 3.063 1.00 0.00 C ATOM 792 O VAL A 53 3.822 -3.664 4.214 1.00 0.00 O ATOM 793 CB VAL A 53 1.146 -3.904 2.765 1.00 0.00 C ATOM 794 CG1 VAL A 53 0.738 -2.445 2.620 1.00 0.00 C ATOM 795 CG2 VAL A 53 0.153 -4.816 2.060 1.00 0.00 C ATOM 0 H VAL A 53 2.394 -6.111 2.867 1.00 0.00 H new ATOM 0 HA VAL A 53 2.614 -3.782 1.186 1.00 0.00 H new ATOM 0 HB VAL A 53 1.142 -4.154 3.826 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.270 -2.309 3.011 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.432 -1.816 3.178 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.760 -2.164 1.567 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.846 -4.644 2.460 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.158 -4.602 0.991 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.435 -5.856 2.223 1.00 0.00 H new ATOM 805 N LYS A 54 4.084 -2.252 2.483 1.00 0.00 N ATOM 806 CA LYS A 54 5.034 -1.395 3.181 1.00 0.00 C ATOM 807 C LYS A 54 4.456 0.002 3.371 1.00 0.00 C ATOM 808 O LYS A 54 4.307 0.758 2.413 1.00 0.00 O ATOM 809 CB LYS A 54 6.350 -1.316 2.405 1.00 0.00 C ATOM 810 CG LYS A 54 6.831 -2.659 1.882 1.00 0.00 C ATOM 811 CD LYS A 54 8.324 -2.642 1.593 1.00 0.00 C ATOM 812 CE LYS A 54 8.674 -1.612 0.532 1.00 0.00 C ATOM 813 NZ LYS A 54 10.139 -1.355 0.469 1.00 0.00 N ATOM 0 H LYS A 54 3.872 -1.957 1.530 1.00 0.00 H new ATOM 0 HA LYS A 54 5.229 -1.828 4.162 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.226 -0.632 1.565 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.118 -0.891 3.051 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.610 -3.436 2.614 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.286 -2.913 0.973 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.871 -2.422 2.510 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.643 -3.630 1.261 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.324 -1.959 -0.440 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.151 -0.680 0.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.336 -0.647 -0.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.469 -0.999 1.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.637 -2.239 0.241 1.00 0.00 H new ATOM 827 N TYR A 55 4.123 0.335 4.613 1.00 0.00 N ATOM 828 CA TYR A 55 3.553 1.639 4.931 1.00 0.00 C ATOM 829 C TYR A 55 4.482 2.772 4.505 1.00 0.00 C ATOM 830 O TYR A 55 5.680 2.748 4.789 1.00 0.00 O ATOM 831 CB TYR A 55 3.266 1.739 6.430 1.00 0.00 C ATOM 832 CG TYR A 55 1.905 1.210 6.823 1.00 0.00 C ATOM 833 CD1 TYR A 55 1.414 0.030 6.278 1.00 0.00 C ATOM 834 CD2 TYR A 55 1.111 1.890 7.738 1.00 0.00 C ATOM 835 CE1 TYR A 55 0.170 -0.457 6.634 1.00 0.00 C ATOM 836 CE2 TYR A 55 -0.133 1.410 8.099 1.00 0.00 C ATOM 837 CZ TYR A 55 -0.599 0.236 7.544 1.00 0.00 C ATOM 838 OH TYR A 55 -1.837 -0.245 7.902 1.00 0.00 O ATOM 0 H TYR A 55 4.238 -0.281 5.418 1.00 0.00 H new ATOM 0 HA TYR A 55 2.620 1.738 4.376 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.032 1.188 6.976 1.00 0.00 H new ATOM 0 HB3 TYR A 55 3.344 2.782 6.737 1.00 0.00 H new ATOM 0 HD1 TYR A 55 2.014 -0.516 5.565 1.00 0.00 H new ATOM 0 HD2 TYR A 55 1.472 2.809 8.174 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -0.197 -1.376 6.201 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -0.738 1.951 8.812 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.963 -1.140 7.523 1.00 0.00 H new ATOM 848 N ILE A 56 3.917 3.769 3.832 1.00 0.00 N ATOM 849 CA ILE A 56 4.685 4.922 3.375 1.00 0.00 C ATOM 850 C ILE A 56 4.376 6.139 4.240 1.00 0.00 C ATOM 851 O ILE A 56 5.275 6.754 4.814 1.00 0.00 O ATOM 852 CB ILE A 56 4.390 5.242 1.886 1.00 0.00 C ATOM 853 CG1 ILE A 56 5.326 4.445 0.973 1.00 0.00 C ATOM 854 CG2 ILE A 56 4.528 6.734 1.601 1.00 0.00 C ATOM 855 CD1 ILE A 56 5.328 2.959 1.251 1.00 0.00 C ATOM 0 H ILE A 56 2.927 3.802 3.590 1.00 0.00 H new ATOM 0 HA ILE A 56 5.743 4.676 3.466 1.00 0.00 H new ATOM 0 HB ILE A 56 3.359 4.951 1.682 1.00 0.00 H new ATOM 0 HG12 ILE A 56 5.035 4.611 -0.064 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.340 4.828 1.085 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.315 6.925 0.549 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.824 7.289 2.220 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.544 7.056 1.829 1.00 0.00 H new ATOM 0 HD11 ILE A 56 6.014 2.462 0.565 1.00 0.00 H new ATOM 0 HD12 ILE A 56 5.648 2.781 2.278 1.00 0.00 H new ATOM 0 HD13 ILE A 56 4.323 2.561 1.111 1.00 0.00 H new ATOM 867 N LYS A 57 3.097 6.476 4.327 1.00 0.00 N ATOM 868 CA LYS A 57 2.654 7.614 5.119 1.00 0.00 C ATOM 869 C LYS A 57 2.767 7.314 6.611 1.00 0.00 C ATOM 870 O LYS A 57 3.058 6.185 7.007 1.00 0.00 O ATOM 871 CB LYS A 57 1.210 7.961 4.758 1.00 0.00 C ATOM 872 CG LYS A 57 1.063 9.303 4.059 1.00 0.00 C ATOM 873 CD LYS A 57 1.571 10.442 4.927 1.00 0.00 C ATOM 874 CE LYS A 57 1.253 11.795 4.313 1.00 0.00 C ATOM 875 NZ LYS A 57 2.194 12.140 3.212 1.00 0.00 N ATOM 0 H LYS A 57 2.344 5.974 3.856 1.00 0.00 H new ATOM 0 HA LYS A 57 3.296 8.466 4.895 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.807 7.179 4.114 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.608 7.966 5.667 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.614 9.287 3.119 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.015 9.472 3.811 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.120 10.376 5.917 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.649 10.346 5.061 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.233 11.789 3.930 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.299 12.564 5.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.943 13.070 2.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.165 12.171 3.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.132 11.420 2.464 1.00 0.00 H new ATOM 889 N ARG A 58 2.534 8.330 7.435 1.00 0.00 N ATOM 890 CA ARG A 58 2.609 8.173 8.882 1.00 0.00 C ATOM 891 C ARG A 58 1.237 7.835 9.463 1.00 0.00 C ATOM 892 O ARG A 58 0.213 8.025 8.807 1.00 0.00 O ATOM 893 CB ARG A 58 3.150 9.449 9.529 1.00 0.00 C ATOM 894 CG ARG A 58 4.658 9.441 9.723 1.00 0.00 C ATOM 895 CD ARG A 58 5.388 9.752 8.426 1.00 0.00 C ATOM 896 NE ARG A 58 5.014 11.057 7.887 1.00 0.00 N ATOM 897 CZ ARG A 58 5.522 11.571 6.769 1.00 0.00 C ATOM 898 NH1 ARG A 58 6.424 10.894 6.069 1.00 0.00 N ATOM 899 NH2 ARG A 58 5.126 12.765 6.349 1.00 0.00 N ATOM 0 H ARG A 58 2.292 9.271 7.125 1.00 0.00 H new ATOM 0 HA ARG A 58 3.290 7.350 9.099 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.876 10.304 8.911 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.668 9.588 10.497 1.00 0.00 H new ATOM 0 HG2 ARG A 58 4.932 10.175 10.481 1.00 0.00 H new ATOM 0 HG3 ARG A 58 4.973 8.466 10.094 1.00 0.00 H new ATOM 0 HD2 ARG A 58 6.464 9.727 8.600 1.00 0.00 H new ATOM 0 HD3 ARG A 58 5.166 8.979 7.691 1.00 0.00 H new ATOM 0 HE ARG A 58 4.323 11.607 8.397 1.00 0.00 H new ATOM 0 HH11 ARG A 58 6.731 9.975 6.387 1.00 0.00 H new ATOM 0 HH12 ARG A 58 6.810 11.293 5.213 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.432 13.289 6.883 1.00 0.00 H new ATOM 0 HH22 ARG A 58 5.515 13.159 5.492 1.00 0.00 H new ATOM 913 N PRO A 59 1.199 7.329 10.708 1.00 0.00 N ATOM 914 CA PRO A 59 -0.057 6.967 11.374 1.00 0.00 C ATOM 915 C PRO A 59 -0.926 8.185 11.663 1.00 0.00 C ATOM 916 O PRO A 59 -0.459 9.175 12.227 1.00 0.00 O ATOM 917 CB PRO A 59 0.402 6.312 12.680 1.00 0.00 C ATOM 918 CG PRO A 59 1.767 6.856 12.921 1.00 0.00 C ATOM 919 CD PRO A 59 2.372 7.072 11.562 1.00 0.00 C ATOM 0 HA PRO A 59 -0.674 6.316 10.754 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -0.271 6.555 13.502 1.00 0.00 H new ATOM 0 HB3 PRO A 59 0.419 5.226 12.593 1.00 0.00 H new ATOM 0 HG2 PRO A 59 1.722 7.790 13.481 1.00 0.00 H new ATOM 0 HG3 PRO A 59 2.366 6.161 13.509 1.00 0.00 H new ATOM 0 HD2 PRO A 59 3.065 7.914 11.559 1.00 0.00 H new ATOM 0 HD3 PRO A 59 2.931 6.198 11.226 1.00 0.00 H new ATOM 927 N GLY A 60 -2.192 8.105 11.270 1.00 0.00 N ATOM 928 CA GLY A 60 -3.110 9.208 11.490 1.00 0.00 C ATOM 929 C GLY A 60 -3.131 10.192 10.334 1.00 0.00 C ATOM 930 O GLY A 60 -4.054 10.998 10.216 1.00 0.00 O ATOM 0 H GLY A 60 -2.600 7.295 10.802 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -4.114 8.814 11.645 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.829 9.733 12.403 1.00 0.00 H new ATOM 934 N ALA A 61 -2.112 10.130 9.480 1.00 0.00 N ATOM 935 CA ALA A 61 -2.018 11.023 8.331 1.00 0.00 C ATOM 936 C ALA A 61 -3.259 10.927 7.450 1.00 0.00 C ATOM 937 O ALA A 61 -3.839 9.853 7.292 1.00 0.00 O ATOM 938 CB ALA A 61 -0.770 10.707 7.522 1.00 0.00 C ATOM 0 H ALA A 61 -1.339 9.469 9.563 1.00 0.00 H new ATOM 0 HA ALA A 61 -1.951 12.045 8.704 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.711 11.380 6.667 1.00 0.00 H new ATOM 0 HB2 ALA A 61 0.112 10.838 8.148 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.816 9.676 7.170 1.00 0.00 H new ATOM 944 N VAL A 62 -3.657 12.056 6.874 1.00 0.00 N ATOM 945 CA VAL A 62 -4.826 12.099 6.004 1.00 0.00 C ATOM 946 C VAL A 62 -4.495 11.560 4.617 1.00 0.00 C ATOM 947 O VAL A 62 -3.550 12.014 3.972 1.00 0.00 O ATOM 948 CB VAL A 62 -5.379 13.532 5.871 1.00 0.00 C ATOM 949 CG1 VAL A 62 -5.835 14.056 7.224 1.00 0.00 C ATOM 950 CG2 VAL A 62 -4.338 14.457 5.257 1.00 0.00 C ATOM 0 H VAL A 62 -3.187 12.953 6.994 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.587 11.469 6.464 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.242 13.505 5.206 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -6.222 15.069 7.110 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.619 13.410 7.619 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.991 14.066 7.914 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.750 15.463 5.172 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.452 14.480 5.891 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.066 14.092 4.267 1.00 0.00 H new ATOM 960 N LEU A 63 -5.277 10.586 4.163 1.00 0.00 N ATOM 961 CA LEU A 63 -5.064 9.983 2.852 1.00 0.00 C ATOM 962 C LEU A 63 -5.717 10.819 1.756 1.00 0.00 C ATOM 963 O LEU A 63 -6.811 11.353 1.938 1.00 0.00 O ATOM 964 CB LEU A 63 -5.622 8.559 2.825 1.00 0.00 C ATOM 965 CG LEU A 63 -5.396 7.750 4.104 1.00 0.00 C ATOM 966 CD1 LEU A 63 -5.920 6.332 3.937 1.00 0.00 C ATOM 967 CD2 LEU A 63 -3.920 7.735 4.470 1.00 0.00 C ATOM 0 H LEU A 63 -6.064 10.197 4.683 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.991 9.948 2.666 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.693 8.609 2.629 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.170 8.024 1.990 1.00 0.00 H new ATOM 0 HG LEU A 63 -5.947 8.226 4.915 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.751 5.771 4.856 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.988 6.362 3.721 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.397 5.845 3.114 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.777 7.155 5.382 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.349 7.283 3.659 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.575 8.756 4.631 1.00 0.00 H new ATOM 979 N GLU A 64 -5.039 10.927 0.618 1.00 0.00 N ATOM 980 CA GLU A 64 -5.552 11.696 -0.508 1.00 0.00 C ATOM 981 C GLU A 64 -5.806 10.787 -1.709 1.00 0.00 C ATOM 982 O GLU A 64 -5.204 9.721 -1.832 1.00 0.00 O ATOM 983 CB GLU A 64 -4.563 12.811 -0.874 1.00 0.00 C ATOM 984 CG GLU A 64 -4.657 13.277 -2.318 1.00 0.00 C ATOM 985 CD GLU A 64 -3.890 14.561 -2.568 1.00 0.00 C ATOM 986 OE1 GLU A 64 -4.352 15.627 -2.111 1.00 0.00 O ATOM 987 OE2 GLU A 64 -2.827 14.500 -3.221 1.00 0.00 O ATOM 0 H GLU A 64 -4.132 10.491 0.452 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.501 12.149 -0.220 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.734 13.664 -0.217 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.549 12.460 -0.682 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.273 12.495 -2.974 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.704 13.427 -2.580 1.00 0.00 H new ATOM 994 N ALA A 65 -6.702 11.220 -2.589 1.00 0.00 N ATOM 995 CA ALA A 65 -7.037 10.449 -3.780 1.00 0.00 C ATOM 996 C ALA A 65 -5.822 10.279 -4.685 1.00 0.00 C ATOM 997 O ALA A 65 -5.410 11.216 -5.369 1.00 0.00 O ATOM 998 CB ALA A 65 -8.173 11.120 -4.539 1.00 0.00 C ATOM 0 H ALA A 65 -7.209 12.101 -2.500 1.00 0.00 H new ATOM 0 HA ALA A 65 -7.361 9.458 -3.462 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -8.414 10.534 -5.426 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.052 11.184 -3.897 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.868 12.123 -4.838 1.00 0.00 H new ATOM 1004 N GLY A 66 -5.253 9.078 -4.685 1.00 0.00 N ATOM 1005 CA GLY A 66 -4.090 8.810 -5.512 1.00 0.00 C ATOM 1006 C GLY A 66 -2.797 8.782 -4.717 1.00 0.00 C ATOM 1007 O GLY A 66 -1.767 8.329 -5.216 1.00 0.00 O ATOM 0 H GLY A 66 -5.575 8.286 -4.128 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.222 7.853 -6.017 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.018 9.572 -6.288 1.00 0.00 H new ATOM 1011 N CYS A 67 -2.846 9.268 -3.480 1.00 0.00 N ATOM 1012 CA CYS A 67 -1.666 9.295 -2.624 1.00 0.00 C ATOM 1013 C CYS A 67 -1.194 7.881 -2.303 1.00 0.00 C ATOM 1014 O CYS A 67 -1.997 6.953 -2.213 1.00 0.00 O ATOM 1015 CB CYS A 67 -1.967 10.051 -1.329 1.00 0.00 C ATOM 1016 SG CYS A 67 -0.526 10.859 -0.594 1.00 0.00 S ATOM 0 H CYS A 67 -3.689 9.648 -3.049 1.00 0.00 H new ATOM 0 HA CYS A 67 -0.870 9.811 -3.161 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -2.729 10.804 -1.529 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -2.389 9.355 -0.604 1.00 0.00 H new ATOM 0 HG CYS A 67 -0.882 11.473 0.495 1.00 0.00 H new ATOM 1022 N VAL A 68 0.115 7.725 -2.131 1.00 0.00 N ATOM 1023 CA VAL A 68 0.695 6.424 -1.820 1.00 0.00 C ATOM 1024 C VAL A 68 0.574 6.109 -0.333 1.00 0.00 C ATOM 1025 O VAL A 68 1.338 6.620 0.485 1.00 0.00 O ATOM 1026 CB VAL A 68 2.180 6.358 -2.226 1.00 0.00 C ATOM 1027 CG1 VAL A 68 2.708 4.938 -2.094 1.00 0.00 C ATOM 1028 CG2 VAL A 68 2.369 6.875 -3.645 1.00 0.00 C ATOM 0 H VAL A 68 0.793 8.483 -2.202 1.00 0.00 H new ATOM 0 HA VAL A 68 0.136 5.685 -2.393 1.00 0.00 H new ATOM 0 HB VAL A 68 2.750 6.997 -1.552 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.758 4.912 -2.385 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.610 4.608 -1.060 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.135 4.275 -2.742 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.424 6.821 -3.914 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.786 6.265 -4.335 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.032 7.910 -3.703 1.00 0.00 H new ATOM 1038 N VAL A 69 -0.394 5.265 0.010 1.00 0.00 N ATOM 1039 CA VAL A 69 -0.617 4.881 1.399 1.00 0.00 C ATOM 1040 C VAL A 69 0.336 3.769 1.829 1.00 0.00 C ATOM 1041 O VAL A 69 0.602 3.595 3.018 1.00 0.00 O ATOM 1042 CB VAL A 69 -2.067 4.414 1.626 1.00 0.00 C ATOM 1043 CG1 VAL A 69 -2.338 4.210 3.109 1.00 0.00 C ATOM 1044 CG2 VAL A 69 -3.049 5.411 1.029 1.00 0.00 C ATOM 0 H VAL A 69 -1.036 4.834 -0.655 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.427 5.768 2.003 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.204 3.458 1.121 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.367 3.880 3.249 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.658 3.454 3.502 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.183 5.149 3.640 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.068 5.064 1.199 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.913 6.384 1.502 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.870 5.501 -0.043 1.00 0.00 H new ATOM 1054 N ALA A 70 0.846 3.018 0.857 1.00 0.00 N ATOM 1055 CA ALA A 70 1.767 1.924 1.143 1.00 0.00 C ATOM 1056 C ALA A 70 2.467 1.447 -0.125 1.00 0.00 C ATOM 1057 O ALA A 70 2.376 2.085 -1.174 1.00 0.00 O ATOM 1058 CB ALA A 70 1.026 0.771 1.805 1.00 0.00 C ATOM 0 H ALA A 70 0.637 3.147 -0.133 1.00 0.00 H new ATOM 0 HA ALA A 70 2.529 2.294 1.828 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.725 -0.039 2.013 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.579 1.114 2.738 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.242 0.412 1.138 1.00 0.00 H new ATOM 1064 N ARG A 71 3.167 0.322 -0.020 1.00 0.00 N ATOM 1065 CA ARG A 71 3.886 -0.241 -1.158 1.00 0.00 C ATOM 1066 C ARG A 71 3.817 -1.765 -1.147 1.00 0.00 C ATOM 1067 O ARG A 71 3.849 -2.389 -0.087 1.00 0.00 O ATOM 1068 CB ARG A 71 5.346 0.214 -1.139 1.00 0.00 C ATOM 1069 CG ARG A 71 5.583 1.531 -1.861 1.00 0.00 C ATOM 1070 CD ARG A 71 5.444 1.374 -3.367 1.00 0.00 C ATOM 1071 NE ARG A 71 6.731 1.480 -4.050 1.00 0.00 N ATOM 1072 CZ ARG A 71 7.399 2.622 -4.198 1.00 0.00 C ATOM 1073 NH1 ARG A 71 6.907 3.755 -3.713 1.00 0.00 N ATOM 1074 NH2 ARG A 71 8.564 2.630 -4.832 1.00 0.00 N ATOM 0 H ARG A 71 3.252 -0.218 0.841 1.00 0.00 H new ATOM 0 HA ARG A 71 3.411 0.119 -2.070 1.00 0.00 H new ATOM 0 HB2 ARG A 71 5.674 0.313 -0.104 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.964 -0.558 -1.597 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.871 2.276 -1.505 1.00 0.00 H new ATOM 0 HG3 ARG A 71 6.580 1.903 -1.623 1.00 0.00 H new ATOM 0 HD2 ARG A 71 4.994 0.407 -3.591 1.00 0.00 H new ATOM 0 HD3 ARG A 71 4.767 2.137 -3.750 1.00 0.00 H new ATOM 0 HE ARG A 71 7.142 0.630 -4.436 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.012 3.754 -3.223 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.424 4.627 -3.830 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.947 1.762 -5.206 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.077 3.504 -4.946 1.00 0.00 H new ATOM 1088 N LEU A 72 3.724 -2.358 -2.333 1.00 0.00 N ATOM 1089 CA LEU A 72 3.653 -3.810 -2.456 1.00 0.00 C ATOM 1090 C LEU A 72 5.033 -4.402 -2.728 1.00 0.00 C ATOM 1091 O LEU A 72 5.685 -4.056 -3.713 1.00 0.00 O ATOM 1092 CB LEU A 72 2.684 -4.203 -3.574 1.00 0.00 C ATOM 1093 CG LEU A 72 1.401 -4.892 -3.105 1.00 0.00 C ATOM 1094 CD1 LEU A 72 1.729 -6.090 -2.226 1.00 0.00 C ATOM 1095 CD2 LEU A 72 0.512 -3.909 -2.359 1.00 0.00 C ATOM 0 H LEU A 72 3.696 -1.857 -3.221 1.00 0.00 H new ATOM 0 HA LEU A 72 3.286 -4.212 -1.511 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.414 -3.306 -4.132 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.202 -4.866 -4.267 1.00 0.00 H new ATOM 0 HG LEU A 72 0.860 -5.248 -3.982 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.804 -6.567 -1.902 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.327 -6.804 -2.792 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.291 -5.758 -1.353 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.396 -4.415 -2.032 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.045 -3.523 -1.490 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.249 -3.083 -3.019 1.00 0.00 H new